Compounds > azd 1152-hqpa

Page last updated: 2024-08-03 02:14:16

azd 1152-hqpa

Description

AZD2811: has antineoplastic activity; structure in first source [MeSH]

AZD-1152 : A member of the of quinazolines that is 4-aminoquinazolin-7-ol in which the amino group at position 4 has been substituted by a 5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl group, while the hydroxy group at position 7 has been converted into the corresponding 3-[ethyl(2-hydroxyethyl)aminopropyl ether. [CHeBI]

Cross-References

ID Source	ID
PubMed CID	16007391
CHEMBL ID	215152
SCHEMBL ID	1343965
SCHEMBL ID	10102580
CHEBI ID	91367
MeSH ID	M0525038

Synonyms (89)

Synonym
5-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-4-quinazolinyl]amino]-n-(3-fluorophenyl)-1h-pyrazole-3-acetamide
cid_16007391
chembl215152 ,
pyrazoloquinazoline deriv., 34
bdbm26300
2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}quinazolin-4-yl)amino]-1h-pyrazol-5-yl}-n-(3-fluorophenyl)acetamide
barasertib-hqpa
HY-10126
2-(5-(7-(3-(ethyl(2-hydroxyethyl)amino)propoxy)quinazolin-4-ylamino)-1h-pyrazol-3-yl)-n-(3-fluorophenyl)acetamide
inh-34
azd2811
AZD-1152HQPA ,
azd-1152-hqpa
KINOME_3323
A9415
722544-51-6
azd1152-hqpa ,
BCP9000359
barasertib (azd1152-hqpa) ,
2-[5-(7-{3-[ethyl-(2-hydroxy-ethyl)-amino]-propoxy}-quinazolin-4-ylamino)-2h-pyrazol-3-yl]-n-(3-fluoro-phenyl)-acetamide
2-{5-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}quinazolin-4-yl)amino]-1h-pyrazol-3-yl}-n-(3-fluorophenyl)acetamide
HMS3265M01
HMS3265N01
HMS3265M02
HMS3265N02
BCPP000363
azd1152-hqpa,barasertib
inh 34
NCGC00263089-02
azd-1152 hqpa
unii-29p8lws24n
1h-pyrazole-3-acetamide, 5-((7-(3-(ethyl(2-hydroxyethyl)amino)propoxy)-4-quinazolinyl)amino)-n-(3-fluorophenyl)-
azd 2811 [who-dd]
1h-pyrazole-5-acetamide, 3-((7-(3-(ethyl(2-hydroxyethyl)amino)propoxy)-4-quinazolinyl)amino)-n-(3-fluorophenyl)-
2-(3-((7-(3-(ethyl(2-hydroxyethyl)amino)propoxy)quinazolin-4-yl)amino)-1h-pyrazol-5-yl)-n-(3-fluorophenyl)acetamide
29p8lws24n ,
azd-2811
CS-0163
S1147
defosbarasertib [inn]
defosbarasertib
1218904-24-5
2-(5-((7-(3-(ethyl(2- hydroxyethyl)amino)propoxy)quinazolin-4-yl)amino)- 1h-pyrazol-3-yl)-n-(3-fluorophenyl)acetamide
BRD-K63923597-001-05-0
gtpl5663
smr004701644
MLS006010643
1h-pyrazole-3-acetamide, 5-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-4-quinazolinyl]amino]-n-(3-fluorophenyl)-
AM81250
YJA ,
2-[5-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1h-pyrazol-3-yl]-n-(3-fluorophenyl)ethanamide
SCHEMBL1343965
2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}-quinazolin-4-yl)amino]-1h-pyrazol-5-yl}-n-(3-fluorophenyl)acetamide
QYZOGCMHVIGURT-UHFFFAOYSA-N
2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1h-pyrazol-5-yl]-n-(3-fluorophenyl)acetamide
DTXSID60222584
SCHEMBL10102580
azd1152 hpqa
azd 2811
2-[5-(7-{3-[ethyl-(2-hydroxy-ethyl)-amino]-propoxy}-quinazolin-4-ylamino)-1h-pyrazol-3-yl]-n-(3-fluoro-phenyl)-acetamide
AC-30235
2-(5-((7-(3-(ethyl(2-hydroxyethyl)amino)propoxy)quinazolin-4-yl)amino)-1h-pyrazol-3-yl)-n-(3-fluorophenyl)acetamide
AKOS025404840
J-516595
AKOS026750558
azd1152-hqpa\|azd2811
1h-pyrazole-3-acetamide
mfcd10687152
CHEBI:91367
HMS3654I10
azd1152-hqpa, >=98% (hplc)
NCGC00263089-07
SW219431-1
1h-pyrazole-3-acetamide, 5-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-4-quinazolinyl]amino]-n-(3-fl
FT-0720820
BS-17404
Q27074868
BCP01736
HMS3740I17
CCG-264836
EX-A1803
bdbm50466808
nsc-757444
nsc757444
nsc-799356
barasertib_hqpa
nsc799356
EN300-25886121
Z2037280547

Roles (2)

Role	Description
antineoplastic agent	A substance that inhibits or prevents the proliferation of neoplasms.
Aurora kinase inhibitor	Any protein kinase inhibitor that inhibits the action of an Aurora kinase (a group of serine/threonine kinases that are essential for cell proliferation).

Drug Classes (8)

Class	Description
quinazolines	Any organic heterobicyclic compound based on a quinazoline skeleton and its substituted derivatives.
secondary carboxamide	A carboxamide resulting from the formal condensation of a carboxylic acid with a primary amine; formula RC(=O)NHR(1).
tertiary amino compound	A compound formally derived from ammonia by replacing three hydrogen atoms by organyl groups.
secondary amino compound	A compound formally derived from ammonia by replacing two hydrogen atoms by organyl groups.
pyrazoles
primary alcohol	A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.
monofluorobenzenes	Any member of the class of fluorobenzenes containing a mono- or poly-substituted benzene ring carrying a single fluorine substitutent.
anilide	Any aromatic amide obtained by acylation of aniline.

Protein Targets (480)

Potency Measurements

Protein	Taxonomy	Measurement	Average (mM)	Bioassay(s)
EWS/FLI fusion protein	Homo sapiens (human)	Potency	3.0197	AID1259252; AID1259253; AID1259255; AID1259256

Inhibition Measurements

Protein	Taxonomy	Measurement	Average (mM)	Bioassay(s)
Serine/threonine-protein kinase Chk1	Homo sapiens (human)	Ki	10.0000	AID273848
Aurora kinase A	Homo sapiens (human)	IC50	1.3930	AID1741606; AID353619
Aurora kinase A	Homo sapiens (human)	Ki	0.9337	AID1798662; AID1798663; AID273823
Tyrosine-protein kinase transforming protein Abl	Abelson murine leukemia virus	Ki	10.0000	AID273847
Epidermal growth factor receptor	Homo sapiens (human)	Ki	10.0000	AID273833
Tyrosine-protein kinase Lck	Homo sapiens (human)	Ki	0.1700	AID273835
Insulin-like growth factor 1 receptor	Homo sapiens (human)	Ki	10.0000	AID273834
Fibroblast growth factor receptor 1	Homo sapiens (human)	Ki	10.0000	AID273844
Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)	Ki	10.0000	AID273837
cAMP-dependent protein kinase catalytic subunit alpha	Homo sapiens (human)	Ki	10.0000	AID273853
Fibroblast growth factor receptor 2	Homo sapiens (human)	Ki	10.0000	AID273844
Fibroblast growth factor receptor 4	Homo sapiens (human)	Ki	10.0000	AID273844
Fibroblast growth factor receptor 3	Homo sapiens (human)	Ki	10.0000	AID273844
cAMP-dependent protein kinase catalytic subunit gamma	Homo sapiens (human)	Ki	10.0000	AID273853
cAMP-dependent protein kinase catalytic subunit beta	Homo sapiens (human)	Ki	10.0000	AID273853
Cyclin-dependent kinase 2	Homo sapiens (human)	Ki	10.0000	AID273843
Vascular endothelial growth factor receptor 2	Homo sapiens (human)	Ki	1.8000	AID273841
Dual specificity mitogen-activated protein kinase kinase 2	Homo sapiens (human)	Ki	10.0000	AID273842
Receptor-type tyrosine-protein kinase FLT3	Homo sapiens (human)	IC50	0.1000	AID767466
Tyrosine-protein kinase CSK	Homo sapiens (human)	Ki	10.0000	AID273838
Tyrosine-protein kinase ZAP-70	Homo sapiens (human)	Ki	8.2000	AID273845
Mitogen-activated protein kinase 8	Homo sapiens (human)	Ki	10.0000	AID273846
Tyrosine-protein kinase JAK3	Homo sapiens (human)	Ki	10.0000	AID273839
Serine/threonine-protein kinase PLK1	Homo sapiens (human)	Ki	10.0000	AID273840
Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)	Ki	10.0000	AID273842
Focal adhesion kinase 1	Homo sapiens (human)	Ki	10.0000	AID273849
Potassium voltage-gated channel subfamily H member 2	Homo sapiens (human)	IC50	30.0000	AID273826
Serine/threonine-protein kinase PAK 1	Homo sapiens (human)	Ki	10.0000	AID273852
Mitogen-activated protein kinase 14	Homo sapiens (human)	Ki	10.0000	AID273836
Aurora kinase B	Homo sapiens (human)	IC50	0.0028	AID1186610; AID1419654; AID1545505; AID1650699; AID1741600; AID353620; AID353654
Aurora kinase B	Homo sapiens (human)	Ki	0.0010	AID1798662; AID273825
Aurora kinase C	Homo sapiens (human)	Ki	0.0170	AID273850

Activation Measurements

Protein	Taxonomy	Measurement	Average (mM)	Bioassay(s)
Leukotriene C4 synthase	Cavia porcellus (domestic guinea pig)	Kd	10.0000	AID625128
Bone morphogenetic protein receptor type-1B	Homo sapiens (human)	Kd	23.3333	AID1424922; AID624825
Membrane-associated progesterone receptor component 1	Homo sapiens (human)	Kd	30.0000	AID1425109
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	Homo sapiens (human)	Kd	10.0000	AID624974
Serine/threonine-protein kinase PLK4	Homo sapiens (human)	Kd	13.1333	AID1425121; AID436044; AID625076
Serine/threonine-protein kinase 25	Homo sapiens (human)	Kd	10.0000	AID435329; AID625059
ATP-dependent RNA helicase DDX3X	Homo sapiens (human)	Kd	30.0000	AID1424975
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta	Homo sapiens (human)	Kd	10.0000	AID624877
Pyridoxal kinase	Homo sapiens (human)	Kd	30.0000	AID1425106
Citron Rho-interacting kinase	Homo sapiens (human)	Kd	13.8000	AID1424954; AID435523; AID625065
Serine/threonine-protein kinase RIO3	Homo sapiens (human)	Kd	10.0000	AID435191; AID624926
Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)	Kd	10.0000	AID624722
Serine/threonine-protein kinase Chk1	Homo sapiens (human)	Kd	16.6667	AID1424953; AID435396; AID624831
Inhibitor of nuclear factor kappa-B kinase subunit beta	Homo sapiens (human)	Kd	10.0000	AID624836
Peripheral plasma membrane protein CASK	Homo sapiens (human)	Kd	10.0000	AID624749
Aurora kinase A	Homo sapiens (human)	Kd	0.3482	AID1342784; AID1342788; AID1342789; AID1342790; AID1342791; AID1424917; AID435518; AID624919
Cyclin-G-associated kinase	Homo sapiens (human)	Kd	16.6667	AID1425009; AID435821; AID625012
Serine/threonine-protein kinase DCLK1	Homo sapiens (human)	Kd	10.0000	AID435284; AID624966
Inhibitor of nuclear factor kappa-B kinase subunit alpha	Homo sapiens (human)	Kd	10.0000	AID624832
Muscle, skeletal receptor tyrosine-protein kinase	Homo sapiens (human)	Kd	1.5000	AID435678; AID625022
Ephrin type-B receptor 6	Homo sapiens (human)	Kd	15.0250	AID1424995; AID624957
Peroxisomal acyl-coenzyme A oxidase 3	Homo sapiens (human)	Kd	30.0000	AID1424896
Mitogen-activated protein kinase 13	Homo sapiens (human)	Kd	10.0000	AID624892
3-phosphoinositide-dependent protein kinase 1	Homo sapiens (human)	Kd	10.0000	AID435189; AID624876
Mitogen-activated protein kinase kinase kinase 13	Homo sapiens (human)	Kd	10.0000	AID624965
Death-associated protein kinase 3	Homo sapiens (human)	Kd	10.0000	AID435155; AID435398; AID624834
Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)	Kd	0.6500	AID624724
Receptor-interacting serine/threonine-protein kinase 2	Homo sapiens (human)	Kd	15.9000	AID1425155; AID435935; AID624925
NUAK family SNF1-like kinase 1	Homo sapiens (human)	Kd	10.0000	AID435150; AID625088
Dynamin-like 120 kDa protein, mitochondrial	Homo sapiens (human)	Kd	30.0000	AID1425097
Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma	Homo sapiens (human)	Kd	10.0000	AID624751
Tyrosine-protein kinase JAK2	Homo sapiens (human)	Kd	10.0000	AID435658; AID624973
Eukaryotic translation initiation factor 5B	Homo sapiens (human)	Kd	30.0000	AID1424986
Rho-associated protein kinase 2	Homo sapiens (human)	Kd	20.0000	AID1425158; AID624969
Serine/threonine-protein kinase ULK1	Homo sapiens (human)	Kd	20.0000	AID1425208; AID624916
Serine/threonine-protein kinase/endoribonuclease IRE1	Homo sapiens (human)	Kd	20.0000	AID1424997; AID624835
Ribosomal protein S6 kinase alpha-5	Homo sapiens (human)	Kd	14.0000	AID1425162; AID435831; AID436051; AID624736; AID624967
U5 small nuclear ribonucleoprotein 200 kDa helicase	Homo sapiens (human)	Kd	30.0000	AID1425174
Ribosomal protein S6 kinase alpha-4	Homo sapiens (human)	Kd	14.0000	AID1425161; AID435325; AID435441; AID624806; AID624927
Serine/threonine-protein kinase 16	Homo sapiens (human)	Kd	16.6667	AID1425179; AID435692; AID624775
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit gamma	Homo sapiens (human)	Kd	10.0000	AID624958
Serine/threonine-protein kinase PAK 3	Homo sapiens (human)	Kd	10.0000	AID435823; AID624873
Cyclin-dependent kinase-like 5	Homo sapiens (human)	Kd	10.0000	AID624905
Serine/threonine-protein kinase 17B	Homo sapiens (human)	Kd	10.0000	AID435401; AID624942
Serine/threonine-protein kinase 10	Homo sapiens (human)	Kd	11.8667	AID1425177; AID435677; AID625030
Serine/threonine-protein kinase D3	Homo sapiens (human)	Kd	16.6667	AID1425137; AID435554; AID625024
Cyclin-dependent kinase 14	Homo sapiens (human)	Kd	10.0000	AID435689; AID625070
Structural maintenance of chromosomes protein 2	Homo sapiens (human)	Kd	30.0000	AID1425173
Mitogen-activated protein kinase kinase kinase 6	Homo sapiens (human)	Kd	23.3333	AID1425050; AID624962
Serine/threonine-protein kinase OSR1	Homo sapiens (human)	Kd	10.0000	AID624977
Mitogen-activated protein kinase kinase kinase kinase 4	Homo sapiens (human)	Kd	16.6667	AID1425054; AID435910; AID624756
Serine/threonine-protein kinase LATS1	Homo sapiens (human)	Kd	16.6667	AID1425033; AID435529; AID624963
Serine/threonine-protein kinase PAK 4	Homo sapiens (human)	Kd	16.6667	AID1425100; AID435929; AID624811
Serine/threonine-protein kinase Chk2	Homo sapiens (human)	Kd	1.4000	AID624803
Tyrosine-protein kinase ABL1	Homo sapiens (human)	Kd	6.6200	AID1424890; AID435146; AID435514; AID435515; AID435644; AID435775; AID435776; AID435897; AID624978; AID624979; AID624980; AID624981; AID624982; AID624983; AID624984; AID624985; AID624986; AID624987; AID624988; AID624989; AID624990; AID624991; AID624992
Epidermal growth factor receptor	Homo sapiens (human)	Kd	3.4354	AID1424983; AID435156; AID435157; AID435402; AID435525; AID435652; AID435653; AID435791; AID435792; AID435906; AID435907; AID624996; AID624997; AID624998; AID624999; AID625000; AID625001; AID625002; AID625003; AID625004; AID625005; AID625006; AID625007
RAF proto-oncogene serine/threonine-protein kinase	Homo sapiens (human)	Kd	10.0000	AID435556; AID624897
Receptor tyrosine-protein kinase erbB-2	Homo sapiens (human)	Kd	4.3000	AID435796; AID624804
High affinity nerve growth factor receptor	Homo sapiens (human)	Kd	10.0000	AID435201; AID624808
Guanine nucleotide-binding protein G(i) subunit alpha-2	Homo sapiens (human)	Kd	30.0000	AID1425011
ADP/ATP translocase 2	Homo sapiens (human)	Kd	30.0000	AID1425169
Protein kinase C beta type	Homo sapiens (human)	Kd	30.0000	AID1425130
Insulin receptor	Homo sapiens (human)	Kd	16.6667	AID1425026; AID435408; AID624784
Tyrosine-protein kinase Lck	Homo sapiens (human)	Kd	1.1507	AID1425034; AID435676; AID625013
Tyrosine-protein kinase Fyn	Homo sapiens (human)	Kd	16.6667	AID1425008; AID435800; AID624727
Cyclin-dependent kinase 1	Homo sapiens (human)	Kd	30.0000	AID1424937
Glycogen phosphorylase, liver form	Homo sapiens (human)	Kd	30.0000	AID1425146
Tyrosine-protein kinase Fes/Fps	Homo sapiens (human)	Kd	16.6667	AID1425003; AID435161; AID624852
Macrophage colony-stimulating factor 1 receptor	Homo sapiens (human)	Kd	1.4000	AID435280; AID624995
Adenine phosphoribosyltransferase	Homo sapiens (human)	Kd	30.0000	AID1424914
Tyrosine-protein kinase Yes	Homo sapiens (human)	Kd	12.5333	AID1425212; AID435328; AID625018
Tyrosine-protein kinase Lyn	Homo sapiens (human)	Kd	11.0667	AID1425037; AID435804; AID624862
Proto-oncogene tyrosine-protein kinase receptor Ret	Homo sapiens (human)	Kd	0.2940	AID1425154; AID435323; AID435434; AID625121; AID625122; AID625123; AID625124
Insulin-like growth factor 1 receptor	Homo sapiens (human)	Kd	16.6667	AID1425022; AID435164; AID624800
Signal recognition particle receptor subunit alpha	Homo sapiens (human)	Kd	30.0000	AID1425176
Cytochrome c1, heme protein, mitochondrial	Homo sapiens (human)	Kd	30.0000	AID1424969
Hepatocyte growth factor receptor	Homo sapiens (human)	Kd	13.1400	AID1425076; AID435312; AID624794; AID624795; AID624796
Tyrosine-protein kinase HCK	Homo sapiens (human)	Kd	12.6000	AID1425017; AID435311; AID624857
Proto-oncogene tyrosine-protein kinase ROS	Homo sapiens (human)	Kd	10.0000	AID435192; AID624899
Platelet-derived growth factor receptor beta	Homo sapiens (human)	Kd	10.0273	AID1425104; AID435926; AID624875
Tyrosine-protein kinase Fgr	Homo sapiens (human)	Kd	10.0000	AID435798; AID625011
Wee1-like protein kinase 2	Homo sapiens (human)	Kd	10.0000	AID624746
Uncharacterized serine/threonine-protein kinase SBK3	Homo sapiens (human)	Kd	10.0000	AID624747
Serine/threonine-protein kinase A-Raf	Homo sapiens (human)	Kd	30.0000	AID1424915
Mast/stem cell growth factor receptor Kit	Homo sapiens (human)	Kd	1.2261	AID435167; AID435410; AID435411; AID435675; AID435802; AID599957; AID599959; AID624786; AID624787; AID624788; AID624789; AID624790; AID624791; AID624792; AID624793
Glycogen phosphorylase, brain form	Homo sapiens (human)	Kd	30.0000	AID1425145
Breakpoint cluster region protein	Homo sapiens (human)	Kd	30.0000	AID1424919
Serine/threonine-protein kinase pim-1	Homo sapiens (human)	Kd	16.6667	AID1425111; AID435931; AID624878
Fibroblast growth factor receptor 1	Homo sapiens (human)	Kd	16.6667	AID1425004; AID435526; AID625132
Myosin light chain kinase, smooth muscle	Gallus gallus (chicken)	Kd	10.0000	AID435413
Cyclin-dependent kinase 4	Homo sapiens (human)	Kd	16.6667	AID1424946; AID624780; AID624781
ADP/ATP translocase 3	Homo sapiens (human)	Kd	30.0000	AID1425170
Inosine-5'-monophosphate dehydrogenase 2	Homo sapiens (human)	Kd	30.0000	AID1425025
Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)	Kd	16.6667	AID1425175; AID435195; AID625016
cAMP-dependent protein kinase type II-alpha regulatory subunit	Homo sapiens (human)	Kd	30.0000	AID1425128
Insulin receptor-related protein	Homo sapiens (human)	Kd	10.0000	AID435430; AID625075
Serine/threonine-protein kinase B-raf	Homo sapiens (human)	Kd	14.0000	AID1424924; AID435901; AID435902; AID624946; AID624947
Phosphorylase b kinase gamma catalytic chain, liver/testis isoform	Homo sapiens (human)	Kd	16.6667	AID1425110; AID435930; AID624797
Ribosyldihydronicotinamide dehydrogenase [quinone]	Homo sapiens (human)	Kd	30.0000	AID1425093
Platelet-derived growth factor receptor alpha	Homo sapiens (human)	Kd	0.0380	AID435827; AID625034
Tyrosine-protein kinase Fer	Homo sapiens (human)	Kd	16.6667	AID1425002; AID435160; AID625010
Protein kinase C alpha type	Homo sapiens (human)	Kd	30.0000	AID1425129
cAMP-dependent protein kinase catalytic subunit alpha	Homo sapiens (human)	Kd	20.0000	AID1425123; AID435932; AID624881
Vascular endothelial growth factor receptor 1	Homo sapiens (human)	Kd	0.1100	AID435429; AID624853
General transcription and DNA repair factor IIH helicase subunit XPD	Homo sapiens (human)	Kd	30.0000	AID1424996
Interferon-induced, double-stranded RNA-activated protein kinase	Homo sapiens (human)	Kd	10.0000	AID435555; AID624896
Casein kinase II subunit alpha'	Homo sapiens (human)	Kd	7.4057	AID1424968; AID435789; AID624849
Ras-related protein Rab-6A	Homo sapiens (human)	Kd	30.0000	AID1425150
Serine/threonine-protein kinase MAK	Homo sapiens (human)	Kd	10.0000	AID625025
Cyclin-dependent kinase 11B	Homo sapiens (human)	Kd	1.2000	AID435395; AID624708
Ephrin type-A receptor 1	Homo sapiens (human)	Kd	10.0000	AID435793; AID625008
Fibroblast growth factor receptor 2	Homo sapiens (human)	Kd	10.0000	AID435290; AID625131
Receptor tyrosine-protein kinase erbB-3	Homo sapiens (human)	Kd	10.0000	AID624851
Multifunctional protein ADE2	Homo sapiens (human)	Kd	30.0000	AID1425098
Fibroblast growth factor receptor 4	Homo sapiens (human)	Kd	10.0000	AID435656; AID625130
Fibroblast growth factor receptor 3	Homo sapiens (human)	Kd	10.0000	AID435291; AID435527; AID624782; AID624783
cAMP-dependent protein kinase catalytic subunit gamma	Homo sapiens (human)	Kd	30.0000	AID1425125
cAMP-dependent protein kinase catalytic subunit beta	Homo sapiens (human)	Kd	16.6667	AID1425124; AID435182; AID624882
Ferrochelatase, mitochondrial	Homo sapiens (human)	Kd	30.0000	AID1425001
Ribosomal protein S6 kinase beta-1	Homo sapiens (human)	Kd	16.4000	AID1425164; AID624906
Tyrosine-protein kinase JAK1	Homo sapiens (human)	Kd	15.0000	AID1425030; AID435165; AID624858; AID624859
Protein kinase C eta type	Homo sapiens (human)	Kd	10.0000	AID436034; AID625049
Cyclin-dependent kinase 2	Homo sapiens (human)	Kd	16.6667	AID1424944; AID435785; AID624844
Beta-adrenergic receptor kinase 1	Homo sapiens (human)	Kd	30.0000	AID1424908
Probable ATP-dependent RNA helicase DDX6	Homo sapiens (human)	Kd	30.0000	AID1424977
Activin receptor type-2A	Homo sapiens (human)	Kd	10.0000	AID436004; AID624838
Mitogen-activated protein kinase 3	Homo sapiens (human)	Kd	16.6667	AID1425061; AID436016; AID624885
MAP/microtubule affinity-regulating kinase 3	Homo sapiens (human)	Kd	16.6667	AID1425069; AID435659; AID624863
Deoxycytidine kinase	Homo sapiens (human)	Kd	30.0000	AID1424970
Mitogen-activated protein kinase 1	Homo sapiens (human)	Kd	16.6667	AID1425056; AID435654; AID624713
Ephrin type-A receptor 2	Homo sapiens (human)	Kd	16.6667	AID1424988; AID435908; AID624951
Ephrin type-A receptor 3	Homo sapiens (human)	Kd	10.0000	AID435794; AID625009
Ephrin type-A receptor 8	Homo sapiens (human)	Kd	10.0000	AID435287; AID625120
Ephrin type-B receptor 2	Homo sapiens (human)	Kd	16.6667	AID1424992; AID435288; AID625105
Leukocyte tyrosine kinase receptor	Homo sapiens (human)	Kd	3.2000	AID435168; AID624743
Non-receptor tyrosine-protein kinase TYK2	Homo sapiens (human)	Kd	15.0000	AID1425207; AID435444; AID624912; AID624913
UMP-CMP kinase	Homo sapiens (human)	Kd	30.0000	AID1424959
Phosphatidylethanolamine-binding protein 1	Homo sapiens (human)	Kd	30.0000	AID1425107
Wee1-like protein kinase	Homo sapiens (human)	Kd	16.6667	AID1425210; AID435204; AID624914
Heme oxygenase 2	Homo sapiens (human)	Kd	30.0000	AID1425018
Tyrosine-protein kinase receptor UFO	Homo sapiens (human)	Kd	0.3900	AID436007; AID624840
Mitogen-activated protein kinase 4	Homo sapiens (human)	Kd	10.0000	AID436017; AID624886
S-adenosylmethionine synthase isoform type-2	Homo sapiens (human)	Kd	30.0000	AID1425071
DnaJ homolog subfamily A member 1	Homo sapiens (human)	Kd	30.0000	AID1424980
RAC-alpha serine/threonine-protein kinase	Homo sapiens (human)	Kd	16.6667	AID1424910; AID435899; AID624994
RAC-beta serine/threonine-protein kinase	Homo sapiens (human)	Kd	16.6667	AID1424911; AID435517; AID624839
G protein-coupled receptor kinase 4	Homo sapiens (human)	Kd	10.0000	AID624739
Dual specificity protein kinase TTK	Homo sapiens (human)	Kd	8.5000	AID435203; AID624910
DNA replication licensing factor MCM4	Homo sapiens (human)	Kd	30.0000	AID1425072
Prostaglandin G/H synthase 2	Homo sapiens (human)	Kd	10.0000	AID625141
Myosin-10	Homo sapiens (human)	Kd	30.0000	AID1425079
Tyrosine-protein kinase receptor Tie-1	Homo sapiens (human)	Kd	0.3500	AID435198; AID625017
Vascular endothelial growth factor receptor 3	Homo sapiens (human)	Kd	6.4500	AID436018; AID624854
Vascular endothelial growth factor receptor 2	Homo sapiens (human)	Kd	0.5000	AID435327; AID624860
Dual specificity mitogen-activated protein kinase kinase 2	Homo sapiens (human)	Kd	13.3000	AID1425039; AID435169; AID625137
Receptor-type tyrosine-protein kinase FLT3	Homo sapiens (human)	Kd	0.1849	AID1425006; AID435162; AID435310; AID435406; AID435407; AID435799; AID624934; AID624935; AID624936; AID624937; AID624938; AID624939; AID624940
Bone morphogenetic protein receptor type-1A	Homo sapiens (human)	Kd	16.6667	AID1424921; AID435276; AID624945
Activin receptor type-1B	Homo sapiens (human)	Kd	16.6667	AID1424901; AID435898; AID624943
TGF-beta receptor type-1	Homo sapiens (human)	Kd	16.6667	AID1425196; AID435938; AID624961
Serine/threonine-protein kinase receptor R3	Homo sapiens (human)	Kd	10.0000	AID435645; AID624778
TGF-beta receptor type-2	Homo sapiens (human)	Kd	16.6667	AID1425197; AID435693; AID624909
Electron transfer flavoprotein subunit beta	Homo sapiens (human)	Kd	30.0000	AID1424999
Tyrosine-protein kinase CSK	Homo sapiens (human)	Kd	14.6000	AID1424960; AID435904; AID624948
Glycine--tRNA ligase	Homo sapiens (human)	Kd	30.0000	AID1425010
Protein kinase C iota type	Homo sapiens (human)	Kd	20.0000	AID1425133; AID624883
Exosome RNA helicase MTR4	Homo sapiens (human)	Kd	30.0000	AID1425168
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	Homo sapiens (human)	Kd	10.0000	AID435552; AID436033; AID625036; AID625037; AID625038; AID625039; AID625040; AID625041; AID625042; AID625043; AID625044; AID625045
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	Homo sapiens (human)	Kd	10.0000	AID625046
Serine/threonine-protein kinase mTOR	Homo sapiens (human)	Kd	10.0000	AID624972
Megakaryocyte-associated tyrosine-protein kinase	Homo sapiens (human)	Kd	10.0000	AID624864
Tyrosine-protein kinase Tec	Homo sapiens (human)	Kd	16.6667	AID1425193; AID435197; AID624908
Tyrosine-protein kinase TXK	Homo sapiens (human)	Kd	10.0000	AID435443; AID624911
Tyrosine-protein kinase ABL2	Homo sapiens (human)	Kd	20.0000	AID1424891; AID435777; AID624993
Tyrosine-protein kinase FRK	Homo sapiens (human)	Kd	16.6667	AID1425007; AID436019; AID624855
Tyrosine-protein kinase ZAP-70	Homo sapiens (human)	Kd	10.0000	AID435445; AID624744
Tyrosine-protein kinase SYK	Homo sapiens (human)	Kd	16.6667	AID1425188; AID435442; AID624907
26S proteasome regulatory subunit 6B	Homo sapiens (human)	Kd	30.0000	AID1425141
Mitogen-activated protein kinase 8	Homo sapiens (human)	Kd	16.6667	AID1425063; AID435166; AID624889
Mitogen-activated protein kinase 9	Homo sapiens (human)	Kd	16.6667	AID1425064; AID435409; AID624717
Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)	Kd	16.6667	AID1425041; AID435822; AID624902
Dual specificity mitogen-activated protein kinase kinase 3	Homo sapiens (human)	Kd	16.6667	AID1425040; AID436022; AID624894
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha	Homo sapiens (human)	Kd	30.0000	AID1425113
Casein kinase I isoform alpha	Homo sapiens (human)	Kd	20.0000	AID1424961; AID624846
Casein kinase I isoform delta	Homo sapiens (human)	Kd	16.6667	AID1424962; AID435524; AID624716
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	Homo sapiens (human)	Kd	10.0000	AID624879
MAP kinase-activated protein kinase 2	Homo sapiens (human)	Kd	16.6667	AID1425065; AID435180; AID624703
Cyclin-dependent kinase 8	Homo sapiens (human)	Kd	10.0000	AID435903; AID624829
Elongation factor Tu, mitochondrial	Homo sapiens (human)	Kd	30.0000	AID1425206
Cysteine--tRNA ligase, cytoplasmic	Homo sapiens (human)	Kd	30.0000	AID1424932
Casein kinase I isoform epsilon	Homo sapiens (human)	Kd	16.6667	AID1424963; AID435650; AID624847
Very long-chain specific acyl-CoA dehydrogenase, mitochondrial	Homo sapiens (human)	Kd	30.0000	AID1424894
Dual specificity protein kinase CLK1	Homo sapiens (human)	Kd	16.6667	AID1424955; AID435786; AID624764
Dual specificity protein kinase CLK2	Homo sapiens (human)	Kd	16.6667	AID1424956; AID435787; AID624932
Dual specificity protein kinase CLK3	Homo sapiens (human)	Kd	16.6667	AID1424957; AID436011; AID624931
Glycogen synthase kinase-3 alpha	Homo sapiens (human)	Kd	16.6667	AID1425013; AID435801; AID625114
Glycogen synthase kinase-3 beta	Homo sapiens (human)	Kd	16.6667	AID1425014; AID435163; AID624856
Cyclin-dependent kinase 7	Homo sapiens (human)	Kd	14.1333	AID1424949; AID435278; AID624845
Cyclin-dependent kinase 9	Homo sapiens (human)	Kd	16.6667	AID1424950; AID435279; AID624830
Ras-related protein Rab-27A	Homo sapiens (human)	Kd	30.0000	AID1425149
Tyrosine-protein kinase Blk	Homo sapiens (human)	Kd	1.5000	AID435646; AID624841
Interleukin-1 receptor-associated kinase 1	Homo sapiens (human)	Kd	20.0000	AID1425027; AID624837
Ribosomal protein S6 kinase alpha-3	Homo sapiens (human)	Kd	16.6667	AID1425160; AID435558; AID624960
Cytoplasmic tyrosine-protein kinase BMX	Homo sapiens (human)	Kd	10.0000	AID435781; AID624842
cAMP-dependent protein kinase catalytic subunit PRKX	Homo sapiens (human)	Kd	10.0000	AID436047; AID624976
Serine/threonine-protein kinase Nek2	Homo sapiens (human)	Kd	16.6667	AID1425086; AID435665; AID624869
Serine/threonine-protein kinase Nek3	Homo sapiens (human)	Kd	20.0000	AID1425087; AID624870
Serine/threonine-protein kinase Nek4	Homo sapiens (human)	Kd	10.0000	AID624904
Tyrosine-protein kinase JAK3	Homo sapiens (human)	Kd	10.0000	AID435674; AID624785
Dual specificity mitogen-activated protein kinase kinase 6	Homo sapiens (human)	Kd	16.6667	AID1425043; AID435911; AID624895
Serine/threonine-protein kinase PLK1	Homo sapiens (human)	Kd	20.0000	AID1425120; AID435934; AID624975
Death-associated protein kinase 1	Homo sapiens (human)	Kd	10.0000	AID435283; AID624971
LIM domain kinase 1	Homo sapiens (human)	Kd	16.6667	AID1425035; AID435803; AID624861
LIM domain kinase 2	Homo sapiens (human)	Kd	20.0000	AID1425036; AID435294; AID625021
Mitogen-activated protein kinase 12	Homo sapiens (human)	Kd	10.0000	AID435438; AID624766
Mitogen-activated protein kinase 10	Homo sapiens (human)	Kd	16.6667	AID1425057; AID435293; AID624891
Tyrosine--tRNA ligase, cytoplasmic	Homo sapiens (human)	Kd	30.0000	AID1425211
5'-AMP-activated protein kinase subunit gamma-1	Homo sapiens (human)	Kd	30.0000	AID1425126
5'-AMP-activated protein kinase catalytic subunit alpha-2	Homo sapiens (human)	Kd	10.0000	AID435149; AID625047
Ephrin type-B receptor 3	Homo sapiens (human)	Kd	16.6667	AID1424993; AID435159; AID624955
Ephrin type-A receptor 5	Homo sapiens (human)	Kd	16.6667	AID1424990; AID435158; AID624737
Ephrin type-B receptor 4	Homo sapiens (human)	Kd	16.6667	AID1424994; AID435404; AID624956
Ephrin type-B receptor 1	Homo sapiens (human)	Kd	10.0000	AID435403; AID624954
Ephrin type-A receptor 4	Homo sapiens (human)	Kd	16.6667	AID1424989; AID435795; AID624952
Adenylate kinase 2, mitochondrial	Homo sapiens (human)	Kd	30.0000	AID1424909
Adenosine kinase	Homo sapiens (human)	Kd	30.0000	AID1424907
Hormonally up-regulated neu tumor-associated kinase	Homo sapiens (human)	Kd	10.0000	AID625084
Serine/threonine-protein kinase SIK1	Homo sapiens (human)	Kd	10.0000	AID435560; AID624733
Receptor-interacting serine/threonine-protein kinase 4	Homo sapiens (human)	Kd	10.0000	AID624763
Ras-related protein Rab-10	Homo sapiens (human)	Kd	30.0000	AID1425148
Cell division control protein 2 homolog	Plasmodium falciparum 3D7	Kd	10.0000	AID624760
Actin-related protein 3	Homo sapiens (human)	Kd	30.0000	AID1424899
Actin-related protein 2	Homo sapiens (human)	Kd	30.0000	AID1424898
Calcium-dependent protein kinase 1	Plasmodium falciparum 3D7	Kd	10.0000	AID624759
GTP-binding nuclear protein Ran	Homo sapiens (human)	Kd	30.0000	AID1425153
Tubulin alpha-1A chain	Rattus norvegicus (Norway rat)	Kd	0.4700	AID435797
Casein kinase II subunit alpha	Homo sapiens (human)	Kd	10.0000	AID436012; AID624848
Phosphatidylinositol 5-phosphate 4-kinase type-2 beta	Homo sapiens (human)	Kd	10.0000	AID435828; AID624915
SRSF protein kinase 2	Homo sapiens (human)	Kd	10.0000	AID435196; AID624768
Casein kinase I isoform gamma-2	Homo sapiens (human)	Kd	16.6667	AID1424965; AID435282; AID624833
Mitogen-activated protein kinase kinase kinase 9	Homo sapiens (human)	Kd	10.0000	AID435297; AID624706
Serine/threonine-protein kinase PknB	Mycobacterium tuberculosis H37Rv	Kd	10.0000	AID624753
Cyclin-dependent kinase 3	Homo sapiens (human)	Kd	16.6667	AID1424945; AID435277; AID624828
Cyclin-dependent kinase-like 1	Homo sapiens (human)	Kd	10.0000	AID624941
Cyclin-dependent kinase 6	Homo sapiens (human)	Kd	30.0000	AID1424948
Cyclin-dependent-like kinase 5	Homo sapiens (human)	Kd	16.6667	AID1424947; AID436010; AID624970
Cyclin-dependent kinase 16	Homo sapiens (human)	Kd	14.2000	AID1424941; AID435925; AID625033
Cyclin-dependent kinase 17	Homo sapiens (human)	Kd	16.6667	AID1424942; AID435688; AID624776
ATP-dependent 6-phosphofructokinase, platelet type	Homo sapiens (human)	Kd	30.0000	AID1425108
Protein kinase C epsilon type	Homo sapiens (human)	Kd	10.0000	AID435320; AID625014
Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)	Kd	13.9667	AID1425038; AID435808; AID624893
Angiopoietin-1 receptor	Homo sapiens (human)	Kd	1.9000	AID435939; AID624799
Mitogen-activated protein kinase kinase kinase 10	Homo sapiens (human)	Kd	10.0000	AID435432; AID624867
DNA topoisomerase 2-beta	Homo sapiens (human)	Kd	30.0000	AID1425203
Protein kinase C theta type	Homo sapiens (human)	Kd	10.0000	AID435321; AID625051
Activin receptor type-1	Homo sapiens (human)	Kd	16.6667	AID1424900; AID435274; AID624819
Macrophage-stimulating protein receptor	Homo sapiens (human)	Kd	6.2540	AID1425078; AID624868
Focal adhesion kinase 1	Homo sapiens (human)	Kd	16.6667	AID1425142; AID435184; AID624729
Protein kinase C delta type	Homo sapiens (human)	Kd	16.6667	AID1425131; AID435553; AID625048
Tyrosine-protein kinase BTK	Homo sapiens (human)	Kd	13.7333	AID1424925; AID436008; AID624779
Tyrosine-protein kinase receptor TYRO3	Homo sapiens (human)	Kd	10.0000	AID435326; AID625057
Cyclin-dependent kinase 18	Homo sapiens (human)	Kd	10.0000	AID435826; AID624874
Activated CDC42 kinase 1	Homo sapiens (human)	Kd	20.0000	AID1425201; AID435694; AID624807
Epithelial discoidin domain-containing receptor 1	Homo sapiens (human)	Kd	15.9000	AID1424972; AID435400; AID624850
Tyrosine-protein kinase ITK/TSK	Homo sapiens (human)	Kd	10.0000	AID435292; AID625020
Myotonin-protein kinase	Homo sapiens (human)	Kd	10.0000	AID435285; AID624950
Mitogen-activated protein kinase kinase kinase kinase 2	Homo sapiens (human)	Kd	20.0000	AID1425052; AID624959
Mitogen-activated protein kinase kinase kinase 12	Homo sapiens (human)	Kd	10.0000	AID624762
Tyrosine-protein kinase Mer	Homo sapiens (human)	Kd	10.0000	AID436023; AID624767
Serine/threonine-protein kinase 4	Homo sapiens (human)	Kd	16.6667	AID1425185; AID435433; AID625055
5'-AMP-activated protein kinase catalytic subunit alpha-1	Homo sapiens (human)	Kd	16.6667	AID1425122; AID435148; AID624773
Serine/threonine-protein kinase PAK 1	Homo sapiens (human)	Kd	10.0000	AID435318; AID624871
Dual specificity mitogen-activated protein kinase kinase 5	Homo sapiens (human)	Kd	0.2039	AID1425042; AID624721
Mitogen-activated protein kinase 7	Homo sapiens (human)	Kd	16.6667	AID1425062; AID435655; AID624888
Serine/threonine-protein kinase PAK 2	Homo sapiens (human)	Kd	10.0000	AID435439; AID624872
Serine/threonine-protein kinase 3	Homo sapiens (human)	Kd	16.6667	AID1425182; AID435662; AID625054
Mitogen-activated protein kinase kinase kinase 1	Homo sapiens (human)	Kd	23.3333	AID1425044; AID625026
cGMP-dependent protein kinase 2	Homo sapiens (human)	Kd	10.0000	AID435322; AID625053
Integrin-linked protein kinase	Homo sapiens (human)	Kd	30.0000	AID1425024
Rho-associated protein kinase 1	Homo sapiens (human)	Kd	20.0000	AID1425157; AID625015
Non-receptor tyrosine-protein kinase TNK1	Homo sapiens (human)	Kd	16.6667	AID1425200; AID435833; AID624930
Serine/threonine-protein kinase PRP4 homolog	Homo sapiens (human)	Kd	10.0000	AID624750
Receptor-interacting serine/threonine-protein kinase 1	Homo sapiens (human)	Kd	10.0000	AID435557; AID624924
Calcium/calmodulin-dependent protein kinase type II subunit beta	Homo sapiens (human)	Kd	10.0000	AID435394; AID624827
Calcium/calmodulin-dependent protein kinase type II subunit gamma	Homo sapiens (human)	Kd	16.6667	AID1424929; AID435784; AID624731
Calcium/calmodulin-dependent protein kinase type II subunit delta	Homo sapiens (human)	Kd	16.6667	AID1424928; AID435647; AID624770
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Homo sapiens (human)	Kd	23.3333	AID1424981; AID624712
Activin receptor type-2B	Homo sapiens (human)	Kd	16.6667	AID1424902; AID435147; AID624820
Bone morphogenetic protein receptor type-2	Homo sapiens (human)	Kd	16.6667	AID1424923; AID435780; AID624826
Protein-tyrosine kinase 6	Homo sapiens (human)	Kd	6.8487	AID1425144; AID436049; AID625029
cGMP-dependent protein kinase 1	Homo sapiens (human)	Kd	16.6667	AID1425138; AID435546; AID625052
Cyclin-dependent kinase 13	Homo sapiens (human)	Kd	15.5500	AID1424940; AID624761
Calcium/calmodulin-dependent protein kinase type 1	Homo sapiens (human)	Kd	10.0000	AID436009; AID624922
Inhibitor of nuclear factor kappa-B kinase subunit epsilon	Homo sapiens (human)	Kd	20.0000	AID1425023; AID435657; AID625074
Protein-tyrosine kinase 2-beta	Homo sapiens (human)	Kd	16.6667	AID1425143; AID436048; AID624732
Maternal embryonic leucine zipper kinase	Homo sapiens (human)	Kd	16.6667	AID1425074; AID435660; AID625087
Structural maintenance of chromosomes protein 1A	Homo sapiens (human)	Kd	30.0000	AID1425172
Chromodomain-helicase-DNA-binding protein 4	Homo sapiens (human)	Kd	30.0000	AID1424952
Peroxisomal acyl-coenzyme A oxidase 1	Homo sapiens (human)	Kd	30.0000	AID1424895
Serine/threonine-protein kinase D1	Homo sapiens (human)	Kd	10.0000	AID436045; AID624884
Serine/threonine-protein kinase 38	Homo sapiens (human)	Kd	10.0000	AID625067
Receptor tyrosine-protein kinase erbB-4	Homo sapiens (human)	Kd	0.4700	AID624815
Ribosomal protein S6 kinase alpha-2	Homo sapiens (human)	Kd	10.0000	AID435830; AID436050; AID624805; AID625127
Ephrin type-A receptor 7	Homo sapiens (human)	Kd	16.6667	AID1424991; AID435286; AID624953
Delta(24)-sterol reductase	Homo sapiens (human)	Kd	30.0000	AID1424978
Ribosomal protein S6 kinase alpha-1	Homo sapiens (human)	Kd	14.0000	AID1425159; AID435690; AID435829; AID624900; AID624901
Dual specificity testis-specific protein kinase 1	Homo sapiens (human)	Kd	16.6667	AID1425194; AID435937; AID625056
Myosin light chain kinase, smooth muscle	Homo sapiens (human)	Kd	16.6667	AID1425081; AID435664; AID624709
Mitogen-activated protein kinase 11	Homo sapiens (human)	Kd	16.6667	AID1425058; AID435551; AID624890
Serine/threonine-protein kinase STK11	Homo sapiens (human)	Kd	16.6667	AID1425178; AID435909; AID624798
Rhodopsin kinase GRK1	Homo sapiens (human)	Kd	10.0000	AID624898
NT-3 growth factor receptor	Homo sapiens (human)	Kd	10.0000	AID435202; AID624765
Serine/threonine-protein kinase N1	Homo sapiens (human)	Kd	16.6667	AID1425117; AID435319; AID624745
Serine/threonine-protein kinase N2	Homo sapiens (human)	Kd	16.6667	AID1425118; AID435933; AID625050
Mitogen-activated protein kinase 14	Homo sapiens (human)	Kd	16.6667	AID1425059; AID435181; AID624714
Calcium/calmodulin-dependent protein kinase type IV	Homo sapiens (human)	Kd	16.6667	AID1424930; AID435152; AID624843
Mitogen-activated protein kinase kinase kinase 11	Homo sapiens (human)	Kd	16.6667	AID1425045; AID435414; AID624866
BDNF/NT-3 growth factors receptor	Homo sapiens (human)	Kd	10.0000	AID435564; AID625032
Mitogen-activated protein kinase 6	Homo sapiens (human)	Kd	10.0000	AID435289; AID624887
Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform	Homo sapiens (human)	Kd	10.0000	AID436042; AID625035
Discoidin domain-containing receptor 2	Homo sapiens (human)	Kd	15.5333	AID1424973; AID435154; AID624777
AP2-associated protein kinase 1	Homo sapiens (human)	Kd	14.3333	AID1424889; AID435896; AID625089
Myosin light chain kinase 3	Homo sapiens (human)	Kd	20.0000	AID1425082; AID624738
Uncharacterized aarF domain-containing protein kinase 5	Homo sapiens (human)	Kd	30.0000	AID1424906
Serine/threonine-protein kinase SBK1	Homo sapiens (human)	Kd	10.0000	AID624812
Mitogen-activated protein kinase kinase kinase 19	Homo sapiens (human)	Kd	2.4000	AID625136
Putative heat shock protein HSP 90-beta 2	Homo sapiens (human)	Kd	30.0000	AID1425019
Serine/threonine-protein kinase TNNI3K	Homo sapiens (human)	Kd	10.0000	AID435200; AID625097
Rab-like protein 3	Homo sapiens (human)	Kd	30.0000	AID1425151
Leucine-rich repeat serine/threonine-protein kinase 2	Homo sapiens (human)	Kd	10.0000	AID624740; AID624741
Serine/threonine-protein kinase MRCK alpha	Homo sapiens (human)	Kd	16.6667	AID1424933; AID436024; AID624920
Serine/threonine-protein kinase MRCK gamma	Homo sapiens (human)	Kd	20.0000	AID1424935; AID436013; AID625107
Acyl-CoA dehydrogenase family member 10	Homo sapiens (human)	Kd	30.0000	AID1424892
Serine/threonine-protein kinase Nek5	Homo sapiens (human)	Kd	10.0000	AID435534; AID624742
Serine/threonine-protein kinase ULK3	Homo sapiens (human)	Kd	20.0000	AID1425209; AID624818
Dual serine/threonine and tyrosine protein kinase	Homo sapiens (human)	Kd	3.0000	AID624758
Mitogen-activated protein kinase kinase kinase 15	Homo sapiens (human)	Kd	10.0000	AID624801
Uncharacterized protein FLJ45252	Homo sapiens (human)	Kd	30.0000	AID1425147
Acyl-CoA dehydrogenase family member 11	Homo sapiens (human)	Kd	30.0000	AID1424893
Serine/threonine-protein kinase/endoribonuclease IRE2	Homo sapiens (human)	Kd	30.0000	AID1424998
Serine/threonine-protein kinase MARK2	Homo sapiens (human)	Kd	16.6667	AID1425068; AID435296; AID625106
ATP-dependent RNA helicase DHX30	Homo sapiens (human)	Kd	30.0000	AID1424979
Serine/threonine-protein kinase TAO1	Homo sapiens (human)	Kd	20.0000	AID1425189; AID625126
STE20-related kinase adapter protein alpha	Homo sapiens (human)	Kd	30.0000	AID1425186
Myosin-14	Homo sapiens (human)	Kd	30.0000	AID1425080
AarF domain-containing protein kinase 1	Homo sapiens (human)	Kd	30.0000	AID1424904
Serine/threonine-protein kinase tousled-like 2	Homo sapiens (human)	Kd	10.0000	AID436054; AID624771
Serine/threonine-protein kinase 32C	Homo sapiens (human)	Kd	10.0000	AID435834; AID624734
Serine/threonine-protein kinase pim-3	Homo sapiens (human)	Kd	10.0000	AID435679; AID624802
ATP-dependent RNA helicase DDX42	Homo sapiens (human)	Kd	30.0000	AID1424976
Serine/threonine-protein kinase VRK2	Homo sapiens (human)	Kd	10.0000	AID625058
Myosin light chain kinase family member 4	Homo sapiens (human)	Kd	10.0000	AID435691; AID624809
Homeodomain-interacting protein kinase 1	Homo sapiens (human)	Kd	10.0000	AID624726
Calcium/calmodulin-dependent protein kinase type 1D	Homo sapiens (human)	Kd	10.0000	AID435393; AID625118
Mitogen-activated protein kinase kinase kinase kinase 3	Homo sapiens (human)	Kd	16.6667	AID1425053; AID435295; AID624921
Cyclin-dependent kinase-like 3	Homo sapiens (human)	Kd	10.0000	AID624822
MAP kinase-activated protein kinase 5	Homo sapiens (human)	Kd	16.6667	AID1425067; AID435806; AID624923
Serine/threonine-protein kinase BRSK2	Homo sapiens (human)	Kd	10.0000	AID435783; AID624929
Serine/threonine-protein kinase NIM1	Homo sapiens (human)	Kd	10.0000	AID624728
Serine/threonine-protein kinase ULK2	Homo sapiens (human)	Kd	10.0000	AID625085
Misshapen-like kinase 1	Homo sapiens (human)	Kd	10.0000	AID624813
Serine/threonine-protein kinase DCLK2	Homo sapiens (human)	Kd	10.0000	AID435651; AID624814
Calcium/calmodulin-dependent protein kinase kinase 1	Homo sapiens (human)	Kd	10.0000	AID435521; AID625143
Casein kinase I isoform alpha-like	Homo sapiens (human)	Kd	10.0000	AID435281; AID624723
Homeodomain-interacting protein kinase 4	Homo sapiens (human)	Kd	0.0970	AID624720
Myosin-IIIa	Homo sapiens (human)	Kd	10.0000	AID435170; AID625104
Ankyrin repeat and protein kinase domain-containing protein 1	Homo sapiens (human)	Kd	1.5000	AID436005; AID624735
Serine/threonine-protein kinase Nek11	Homo sapiens (human)	Kd	10.0000	AID624725
Atypical kinase COQ8A, mitochondrial	Homo sapiens (human)	Kd	16.6667	AID1424905; AID435516; AID625116
Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma	Homo sapiens (human)	Kd	20.0000	AID1425115; AID625134
Mitogen-activated protein kinase 15	Homo sapiens (human)	Kd	16.6667	AID1425060; AID435405; AID624715
Serine/threonine-protein kinase Nek9	Homo sapiens (human)	Kd	16.6667	AID1425089; AID435171; AID624704
Serine/threonine-protein kinase BRSK1	Homo sapiens (human)	Kd	10.0000	AID435782; AID624702
Serine/threonine-protein kinase 35	Homo sapiens (human)	Kd	10.0000	AID624711
Serine/threonine-protein kinase Nek7	Homo sapiens (human)	Kd	10.0000	AID435666; AID624754
Rhodopsin kinase GRK7	Homo sapiens (human)	Kd	10.0000	AID624719
Serine/threonine-protein kinase 32A	Homo sapiens (human)	Kd	10.0000	AID624821
Myosin-IIIb	Homo sapiens (human)	Kd	10.0000	AID436032; AID624817
ATP-dependent RNA helicase DDX1	Homo sapiens (human)	Kd	30.0000	AID1424974
Dual specificity tyrosine-phosphorylation-regulated kinase 2	Homo sapiens (human)	Kd	10.0000	AID624918
Cyclin-dependent kinase-like 2	Homo sapiens (human)	Kd	1.2000	AID624928
Mitogen-activated protein kinase kinase kinase kinase 1	Homo sapiens (human)	Kd	16.6667	AID1425051; AID435431; AID624816
Serine/threonine-protein kinase Sgk3	Homo sapiens (human)	Kd	10.0000	AID625073
Atypical kinase COQ8B, mitochondrial	Homo sapiens (human)	Kd	10.0000	AID435778; AID625135
Aurora kinase B	Homo sapiens (human)	Kd	0.0046	AID1424918; AID435519; AID624772
MAP/microtubule affinity-regulating kinase 4	Homo sapiens (human)	Kd	16.6667	AID1425070; AID435924; AID625140
Calcium/calmodulin-dependent protein kinase type 1G	Homo sapiens (human)	Kd	10.0000	AID435151; AID625119
Serine/threonine-protein kinase Nek1	Homo sapiens (human)	Kd	16.6667	AID1425085; AID435533; AID625068
Cyclin-dependent kinase 15	Homo sapiens (human)	Kd	10.0000	AID624718
Calcium/calmodulin-dependent protein kinase kinase 2	Homo sapiens (human)	Kd	16.6667	AID1424931; AID435648; AID625060
EKC/KEOPS complex subunit TP53RK	Homo sapiens (human)	Kd	30.0000	AID1425204
Dual specificity testis-specific protein kinase 2	Homo sapiens (human)	Kd	30.0000	AID1425195
SRSF protein kinase 1	Homo sapiens (human)	Kd	10.0000	AID435936; AID624903
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase	Homo sapiens (human)	Kd	16.6667	AID1425116; AID436043; AID624757
Mitogen-activated protein kinase kinase kinase 5	Homo sapiens (human)	Kd	16.6667	AID1425049; AID435412; AID625028
Phosphatidylinositol 4-phosphate 5-kinase type-1 alpha	Homo sapiens (human)	Kd	10.0000	AID435190; AID624824
Mitogen-activated protein kinase kinase kinase 3	Homo sapiens (human)	Kd	20.0000	AID1425047; AID624865
Eukaryotic translation initiation factor 2-alpha kinase 1	Homo sapiens (human)	Kd	2.9130	AID1424984; AID625080
Serine/threonine-protein kinase RIO1	Homo sapiens (human)	Kd	10.0000	AID435324; AID625141
MAP kinase-interacting serine/threonine-protein kinase 1	Homo sapiens (human)	Kd	10.0000	AID435661; AID624823
Serine/threonine-protein kinase RIO2	Homo sapiens (human)	Kd	10.0000	AID625111
Cyclin-dependent kinase 19	Homo sapiens (human)	Kd	10.0000	AID435522; AID625094
Transient receptor potential cation channel subfamily M member 6	Homo sapiens (human)	Kd	10.0000	AID625110
Testis-specific serine/threonine-protein kinase 1	Homo sapiens (human)	Kd	10.0000	AID435940; AID625142
Serine/threonine-protein kinase 33	Homo sapiens (human)	Kd	10.0000	AID436053; AID625138
Nucleolar GTP-binding protein 1	Homo sapiens (human)	Kd	30.0000	AID1425016
Serine/threonine-protein kinase D2	Homo sapiens (human)	Kd	20.0000	AID1425136; AID436046; AID625102
Serine/threonine-protein kinase DCLK3	Homo sapiens (human)	Kd	10.0000	AID435399; AID624707
NUAK family SNF1-like kinase 2	Homo sapiens (human)	Kd	16.6667	AID1425095; AID435559; AID625139
RNA cytidine acetyltransferase	Homo sapiens (human)	Kd	30.0000	AID1425083
Serine/threonine-protein kinase SIK2	Homo sapiens (human)	Kd	16.6667	AID1425166; AID436052; AID625095
Myosin light chain kinase 2, skeletal/cardiac muscle	Homo sapiens (human)	Kd	10.0000	AID435415; AID624705
STE20-like serine/threonine-protein kinase	Homo sapiens (human)	Kd	16.6667	AID1425171; AID435832; AID625086
Serine/threonine-protein kinase TAO3	Homo sapiens (human)	Kd	20.0000	AID1425191; AID625101
Homeodomain-interacting protein kinase 2	Homo sapiens (human)	Kd	3.7000	AID625129
Tyrosine-protein kinase Srms	Homo sapiens (human)	Kd	7.9000	AID435561; AID624710
Homeodomain-interacting protein kinase 3	Homo sapiens (human)	Kd	2.5000	AID625023
Serine/threonine-protein kinase PLK3	Homo sapiens (human)	Kd	10.0000	AID435183; AID624933
dCTP pyrophosphatase 1	Homo sapiens (human)	Kd	30.0000	AID1424971
Dual specificity protein kinase CLK4	Homo sapiens (human)	Kd	16.6667	AID1424958; AID435788; AID625125
MAP kinase-interacting serine/threonine-protein kinase 2	Homo sapiens (human)	Kd	5.6000	AID435531; AID625108
Serine/threonine-protein kinase Nek6	Homo sapiens (human)	Kd	10.0000	AID435545; AID625079
Casein kinase I isoform gamma-1	Homo sapiens (human)	Kd	16.6667	AID1424964; AID435397; AID625128
Serine/threonine-protein kinase PAK 6	Homo sapiens (human)	Kd	10.0000	AID435188; AID625115
SNF-related serine/threonine-protein kinase	Homo sapiens (human)	Kd	10.0000	AID624752
Serine/threonine-protein kinase LATS2	Homo sapiens (human)	Kd	10.0000	AID436021; AID625083
Serine/threonine-protein kinase 36	Homo sapiens (human)	Kd	4.6000	AID435562; AID625096
Phenylalanine--tRNA ligase beta subunit	Homo sapiens (human)	Kd	30.0000	AID1425000
Isoleucine--tRNA ligase, mitochondrial	Homo sapiens (human)	Kd	30.0000	AID1425020
BMP-2-inducible protein kinase	Homo sapiens (human)	Kd	16.6667	AID1424920; AID435275; AID625109
Obg-like ATPase 1	Homo sapiens (human)	Kd	30.0000	AID1425096
Midasin	Homo sapiens (human)	Kd	30.0000	AID1425073
Interleukin-1 receptor-associated kinase 4	Homo sapiens (human)	Kd	20.0000	AID1425029; AID625098
Serine/threonine-protein kinase 32B	Homo sapiens (human)	Kd	10.0000	AID436055; AID625112
Mitogen-activated protein kinase kinase kinase 20	Homo sapiens (human)	Kd	11.1333	AID1425213; AID435941; AID624755
Cyclin-dependent kinase 12	Homo sapiens (human)	Kd	30.0000	AID1424939
Serine/threonine-protein kinase PLK2	Homo sapiens (human)	Kd	10.0000	AID625063
NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 13	Homo sapiens (human)	Kd	30.0000	AID1425084
Serine/threonine-protein kinase MARK1	Homo sapiens (human)	Kd	10.0000	AID435807; AID625113
Serine/threonine-protein kinase pim-2	Homo sapiens (human)	Kd	10.0000	AID435440; AID625064
Serine/threonine-protein kinase PAK 5	Homo sapiens (human)	Kd	10.0000	AID435687; AID625117
Serine/threonine-protein kinase 26	Homo sapiens (human)	Kd	16.6667	AID1425181; AID435663; AID625103
eIF-2-alpha kinase GCN2	Homo sapiens (human)	Kd	10.0000	AID436020; AID624810
Succinate--CoA ligase [ADP-forming] subunit beta, mitochondrial	Homo sapiens (human)	Kd	30.0000	AID1425187
Serine/threonine-protein kinase NLK	Homo sapiens (human)	Kd	16.6667	AID1425090; AID435667; AID625100
Phosphatidylinositol 4-kinase beta	Homo sapiens (human)	Kd	10.0000	AID624880
Serine/threonine-protein kinase 17A	Homo sapiens (human)	Kd	10.0000	AID435790; AID624968
STE20/SPS1-related proline-alanine-rich protein kinase	Homo sapiens (human)	Kd	10.0000	AID625071
Ephrin type-A receptor 6	Homo sapiens (human)	Kd	10.0000	AID436015; AID624748
5'-AMP-activated protein kinase subunit gamma-2	Homo sapiens (human)	Kd	30.0000	AID1425127
Serine/threonine-protein kinase TBK1	Homo sapiens (human)	Kd	20.0000	AID1425192; AID625072
Septin-9	Homo sapiens (human)	Kd	30.0000	AID1425165
Death-associated protein kinase 2	Homo sapiens (human)	Kd	10.0000	AID435153; AID625077
Ribosomal protein S6 kinase alpha-6	Homo sapiens (human)	Kd	14.0000	AID1425163; AID435193; AID435194; AID625081; AID625082
TRAF2 and NCK-interacting protein kinase	Homo sapiens (human)	Kd	16.1667	AID1425199; AID435563; AID625093
Serine/threonine-protein kinase tousled-like 1	Homo sapiens (human)	Kd	10.0000	AID435199; AID625069
Serine/threonine-protein kinase TAO2	Homo sapiens (human)	Kd	20.0000	AID1425190; AID625099
Long-chain-fatty-acid--CoA ligase 5	Homo sapiens (human)	Kd	30.0000	AID1424897
ALK tyrosine kinase receptor	Homo sapiens (human)	Kd	10.0000	AID435779; AID624944
SRSF protein kinase 3	Homo sapiens (human)	Kd	10.0000	AID625078
Serine/threonine-protein kinase ICK	Homo sapiens (human)	Kd	20.0000	AID1425021; AID625090
Cyclin-dependent kinase 11A	Homo sapiens (human)	Kd	1.0000	AID435649; AID625133
Aurora kinase C	Homo sapiens (human)	Kd	0.0044	AID436006; AID624769
Calcium/calmodulin-dependent protein kinase type II subunit alpha	Homo sapiens (human)	Kd	10.0000	AID435520; AID624730
RAC-gamma serine/threonine-protein kinase	Homo sapiens (human)	Kd	16.6667	AID1424912; AID435900; AID625019
Serine/threonine-protein kinase 38-like	Homo sapiens (human)	Kd	10.0000	AID436025; AID625092
Microtubule-associated serine/threonine-protein kinase 1	Homo sapiens (human)	Kd	10.0000	AID625091
Serine/threonine-protein kinase SIK3	Homo sapiens (human)	Kd	20.0000	AID1425167; AID624774
Mitogen-activated protein kinase kinase kinase 2	Homo sapiens (human)	Kd	20.0000	AID1425046; AID625062
Thyroid hormone receptor-associated protein 3	Homo sapiens (human)	Kd	30.0000	AID1425198
Dual specificity tyrosine-phosphorylation-regulated kinase 1B	Homo sapiens (human)	Kd	10.0000	AID436014; AID624964
Mitogen-activated protein kinase kinase kinase kinase 5	Homo sapiens (human)	Kd	0.4067	AID1425055; AID435805; AID625061
Receptor-interacting serine/threonine-protein kinase 3	Homo sapiens (human)	Kd	30.0000	AID1425156
Serine/threonine-protein kinase MRCK beta	Homo sapiens (human)	Kd	16.6667	AID1424934; AID435912; AID625031
Interleukin-1 receptor-associated kinase 3	Homo sapiens (human)	Kd	15.9667	AID1425028; AID435528; AID625066
Serine/threonine-protein kinase 24	Homo sapiens (human)	Kd	16.6667	AID1425180; AID435532; AID624917
Casein kinase I isoform gamma-3	Homo sapiens (human)	Kd	16.6667	AID1424966; AID435905; AID624949
Mitogen-activated protein kinase kinase kinase 4	Homo sapiens (human)	Kd	16.6667	AID1425048; AID435530; AID625027

Bioassays (1160)

Assay ID	Title	Year	Journal	Article
AID1424908	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435327	Binding constant for VEGFR2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435525	Binding constant for EGFR(L858R) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435900	Binding constant for AKT3 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624846	Binding constant for CSNK1A1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425009	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID273844	Inhibition of human recombinant FGFR	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID1425026	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435432	Binding constant for MLK2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425054	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435296	Binding constant for MARK2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624808	Binding constant for TRKA kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425093	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1424932	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624903	Binding constant for SRPK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435154	Binding constant for DDR2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624775	Binding constant for STK16 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435905	Binding constant for full-length CSNK1G3	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624715	Binding constant for ERK8 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624830	Binding constant for CDK9 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435828	Binding constant for full-length PIP5K2B	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624835	Binding constant for ERN1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435654	Binding constant for full-length ERK2	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624759	Binding constant for PFCDPK1(P.falciparum) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID436049	Binding constant for PTK6 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625124	Binding constant for RET(V804M) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435398	Binding constant for DAPK3 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435786	Binding constant for full-length CLK1	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625005	Binding constant for EGFR(L861Q) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435644	Binding constant for ABL1(E255K) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625027	Binding constant for MAP3K4 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624881	Binding constant for PKAC-alpha kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435181	Binding constant for full-length p38-alpha	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625066	Binding constant for IRAK3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425186	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435553	Binding constant for PRKCD kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435667	Binding constant for full-length NLK	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625088	Binding constant for ARK5 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625067	Binding constant for NDR1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID273854	Inhibition of human recombinant PHK	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID435162	Binding constant for FLT3(N841I) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425197	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435515	Binding constant for ABL1(Q252H) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624764	Binding constant for CLK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425140	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435904	Binding constant for full-length CSK	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624896	Binding constant for PRKR kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624778	Binding constant for ACVRL1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435939	Binding constant for TIE2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624928	Binding constant for CDKL2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624854	Binding constant for FLT4 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425051	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624869	Binding constant for NEK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424906	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1424989	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624904	Binding constant for NEK4 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424940	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624813	Binding constant for MINK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624972	Binding constant for MTOR kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424953	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1424969	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624773	Binding constant for AMPK-alpha1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435530	Binding constant for MAP3K4 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624804	Binding constant for ERBB2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435901	Binding constant for BRAF kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1424937	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435834	Binding constant for YANK3 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624991	Binding constant for ABL1-non phosphorylated kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435665	Binding constant for NEK2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435931	Binding constant for PIM1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625130	Binding constant for FGFR4 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424895	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435831	Binding constant for RPS6KA5(Kin.Dom.1 - C-terminal) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425138	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID436021	Binding constant for LATS2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624779	Binding constant for BTK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624875	Binding constant for PDGFRB kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID273829	rat serum albumin	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID624879	Binding constant for PIK3CG kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425069	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435405	Binding constant for ERK8 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624927	Binding constant for RPS6KA4(Kin.Dom.2-C-terminal) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425001	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425059	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624794	Binding constant for MET kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435678	Binding constant for MUSK kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435797	Binding constant for ERBB4 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435832	Binding constant for SLK kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435908	Binding constant for EPHA2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425143	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624952	Binding constant for EPHA4 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425079	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1186613	Cytotoxicity against human MOLM13 cells assessed as cell viability after 48 hrs by MTT assay	2014	European journal of medicinal chemistry, Oct-06, Volume: 85ISSN: 1768-3254	Novel acylureidoindolin-2-one derivatives as dual Aurora B/FLT3 inhibitors for the treatment of acute myeloid leukemia.
AID1424959	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425060	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624956	Binding constant for EPHB4 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435523	Binding constant for CIT kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425021	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1424980	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1424998	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435798	Binding constant for FGR kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID273847	Inhibition of human recombinant Vabl	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID624848	Binding constant for CSNK2A1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624774	Binding constant for QSK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425124	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425206	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425058	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1424928	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624763	Binding constant for RIPK4 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID436024	Binding constant for MRCKA kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624788	Binding constant for KIT(D816H) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435444	Binding constant for TYK2(Kin.Dom.2/JH1 - catalytic) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435664	Binding constant for MYLK kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435278	Binding constant for full-length CDK7	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625111	Binding constant for RIOK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425082	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425115	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425064	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435289	Binding constant for ERK3 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435520	Binding constant for CAMK2A kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624925	Binding constant for RIPK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425087	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435197	Binding constant for TEC kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624724	Binding constant for TAK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624799	Binding constant for TIE2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425177	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624913	Binding constant for TYK2(JH2domain-pseudokinase) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435656	Binding constant for FGFR4 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625099	Binding constant for TAOK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID353620	Inhibition of aurora B kinase	2009	Journal of medicinal chemistry, May-14, Volume: 52, Issue:9 ISSN: 1520-4804	Discovery and development of aurora kinase inhibitors as anticancer agents.
AID624965	Binding constant for LZK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435796	Binding constant for ERBB2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624947	Binding constant for BRAF(V600E) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435320	Binding constant for PRKCE kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624739	Binding constant for GRK4 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424999	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425117	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435403	Binding constant for EPHB1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625131	Binding constant for FGFR2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624884	Binding constant for PRKD1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425061	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435826	Binding constant for full-length PCTK3	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435167	Binding constant for KIT(V559D) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624980	Binding constant for ABL1(F317I)-phosphorylated kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435277	Binding constant for full-length CDK3	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624706	Binding constant for MLK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624876	Binding constant for PDPK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425131	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625016	Binding constant for SRC kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1186615	Cytotoxicity against human HL60 cells assessed as cell viability after 48 hrs by MTT assay	2014	European journal of medicinal chemistry, Oct-06, Volume: 85ISSN: 1768-3254	Novel acylureidoindolin-2-one derivatives as dual Aurora B/FLT3 inhibitors for the treatment of acute myeloid leukemia.
AID435195	Binding constant for SRC kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID436025	Binding constant for NDR2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425150	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624930	Binding constant for TNK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624982	Binding constant for ABL1(F317L)-phosphorylated kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424939	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624897	Binding constant for RAF1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624905	Binding constant for CDKL5 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425041	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435517	Binding constant for AKT2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1424905	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624845	Binding constant for CDK7 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425153	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625032	Binding constant for TRKB kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625074	Binding constant for IKK-epsilon kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624921	Binding constant for MAP4K3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624783	Binding constant for FGFR3(G697C) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624851	Binding constant for ERBB3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624824	Binding constant for PIP5K1A kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624868	Binding constant for MST1R kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID273846	Inhibition of human recombinant JNK1A	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID624852	Binding constant for FES kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625109	Binding constant for BIKE kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624768	Binding constant for SRPK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435324	Binding constant for full-length RIOK1	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625132	Binding constant for FGFR1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435909	Binding constant for full-length LKB1	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435940	Binding constant for full-length TSSK1	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624962	Binding constant for ASK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID436010	Binding constant for full-length CDK5	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1424985	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435663	Binding constant for full-length MST4	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435934	Binding constant for PLK1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435183	Binding constant for PLK3 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435169	Binding constant for full-length MEK2	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625003	Binding constant for EGFR(L858R) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624870	Binding constant for NEK3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424945	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435522	Binding constant for CDK11 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435152	Binding constant for CAMK4 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID273835	Inhibition of human recombinant LCK	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID435907	Binding constant for EGFR(L861Q) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425109	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624880	Binding constant for PIK4CB kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435524	Binding constant for full-length CSNK1D	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1424942	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425169	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1424994	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625075	Binding constant for INSRR kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435519	Binding constant for AURKB kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624703	Binding constant for MAPKAPK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435166	Binding constant for full-length JNK1	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435196	Binding constant for full-length SRPK2	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425182	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425034	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435199	Binding constant for TLK1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1424997	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625076	Binding constant for PLK4 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425213	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435655	Binding constant for ERK5 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625107	Binding constant for DMPK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID273833	Inhibition of human recombinant EGFR	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID435275	Binding constant for BIKE kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID273836	Inhibition of human recombinant P38A	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID625087	Binding constant for MELK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435776	Binding constant for ABL1(Y253F) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID436055	Binding constant for full-length YANK2	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1741606	Inhibition of Aurora A (unknown origin)	2020	European journal of medicinal chemistry, Oct-01, Volume: 203ISSN: 1768-3254	Discovery of SP-96, the first non-ATP-competitive Aurora Kinase B inhibitor, for reduced myelosuppression.
AID273823	Inhibition of human recombinant Aurora A	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID625085	Binding constant for ULK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435690	Binding constant for RPS6KA1(Kin.Dom.1 - N-terminal) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624934	Binding constant for FLT3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435912	Binding constant for MRCKB kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID436013	Binding constant for DMPK2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435321	Binding constant for PRKCQ kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435910	Binding constant for MAP4K4 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435438	Binding constant for full-length p38-gamma	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435902	Binding constant for BRAF(V600E) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435534	Binding constant for NEK5 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425146	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425191	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425121	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435396	Binding constant for CHEK1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435793	Binding constant for EPHA1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435823	Binding constant for full-length PAK3	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID273842	Inhibition of human recombinant MEK	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID1425158	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435938	Binding constant for TGFBR1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435153	Binding constant for full-length DAPK2	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435924	Binding constant for MARK4 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435147	Binding constant for ACVR2B kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425055	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435397	Binding constant for CSNK1G1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624893	Binding constant for MEK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425200	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425149	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624950	Binding constant for DMPK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625059	Binding constant for YSK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID436034	Binding constant for PRKCH kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435184	Binding constant for PTK2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435791	Binding constant for EGFR(E746-A750del) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425053	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425161	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435784	Binding constant for CAMK2G kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425049	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1424958	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625001	Binding constant for EGFR(L747-S752del, P753S) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624864	Binding constant for CTK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID436007	Binding constant for AXL kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624741	Binding constant for LRRK2(G2019S) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624954	Binding constant for EPHB1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425006	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624797	Binding constant for PHKG2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624809	Binding constant for MYLK4 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624717	Binding constant for JNK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624837	Binding constant for IRAK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425042	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624946	Binding constant for BRAF kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424964	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1424978	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625002	Binding constant for EGFR(L747-T751del,Sins) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624855	Binding constant for FRK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435274	Binding constant for ACVR1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624971	Binding constant for DAPK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1419654	Inhibition of recombinant aurora B (unknown origin)	2017	European journal of medicinal chemistry, Nov-10, Volume: 140ISSN: 1768-3254	A comprehensive review on Aurora kinase: Small molecule inhibitors and clinical trial studies.
AID1424894	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425035	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625090	Binding constant for ICK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435165	Binding constant for JAK1(Kin.Dom.1/JH2 - pseudokinase) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625096	Binding constant for STK36 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435561	Binding constant for SRMS kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624885	Binding constant for ERK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435163	Binding constant for full-length GSK3B	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435521	Binding constant for CAMKK1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624872	Binding constant for PAK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625118	Binding constant for CAMK1D kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625013	Binding constant for LCK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625011	Binding constant for FGR kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624970	Binding constant for CDK5 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435329	Binding constant for YSK1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435783	Binding constant for full-length BRSK2	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435929	Binding constant for PAK4 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624735	Binding constant for ANKK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624820	Binding constant for ACVR2B kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435781	Binding constant for full-length BMX	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425028	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425014	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID273843	Inhibition of human recombinant CDK2	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID1424923	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435155	Binding constant for full-length DLK	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425073	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624792	Binding constant for KIT(V559D,T670I) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1184108	Cytotoxicity against human A549 cells by SRB assay	2014	European journal of medicinal chemistry, Sep-12, Volume: 84ISSN: 1768-3254	Bioisosteric replacement of an acylureido moiety attached to an indolin-2-one scaffold with a malonamido or a 2/4-pyridinoylamido moiety produces a selectively potent Aurora-B inhibitor.
AID624916	Binding constant for ULK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435415	Binding constant for MYLK2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624732	Binding constant for PYK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1186612	Cytotoxicity against human MV4-11 cells assessed as cell viability after 48 hrs by MTT assay	2014	European journal of medicinal chemistry, Oct-06, Volume: 85ISSN: 1768-3254	Novel acylureidoindolin-2-one derivatives as dual Aurora B/FLT3 inhibitors for the treatment of acute myeloid leukemia.
AID625022	Binding constant for MUSK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425072	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624712	Binding constant for DYRK1A kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624757	Binding constant for PKMYT1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625063	Binding constant for PLK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424961	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1424910	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435441	Binding constant for RPS6KA4(Kin.Dom.2 - N-terminal) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624939	Binding constant for FLT3(N841I) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624871	Binding constant for PAK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435200	Binding constant for full-length TNNI3K	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624762	Binding constant for DLK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435564	Binding constant for TRKB kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1424956	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425122	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1424957	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625058	Binding constant for VRK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425125	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425159	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624721	Binding constant for MEK5 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625081	Binding constant for RSK4(Kin.Dom.1-N-terminal) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624796	Binding constant for MET(Y1235D) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624748	Binding constant for EPHA6 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624898	Binding constant for GRK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435158	Binding constant for EPHA5 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1424990	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID436015	Binding constant for EPHA6 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425065	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID353648	Selectivity for aurora A over aurora B	2009	Journal of medicinal chemistry, May-14, Volume: 52, Issue:9 ISSN: 1520-4804	Discovery and development of aurora kinase inhibitors as anticancer agents.
AID435393	Binding constant for CAMK1D kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625062	Binding constant for MAP3K2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425010	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624802	Binding constant for PIM3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID273825	Inhibition of human recombinant Aurora B	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID1425132	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1424974	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625010	Binding constant for FER kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624791	Binding constant for KIT(V559D) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435409	Binding constant for full-length JNK2	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624931	Binding constant for CLK3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425193	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624919	Binding constant for AURKA kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425133	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425199	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425097	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID273848	Inhibition of human recombinant CHK1	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID435652	Binding constant for EGFR(L747-E749del, A750P) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID436009	Binding constant for full-length CAMK1	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624882	Binding constant for PKAC-beta kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624769	Binding constant for AURKC kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424967	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425172	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624736	Binding constant for RPS6KA5(Kin.Dom.1-N-terminal) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID436054	Binding constant for TLK2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID273845	Inhibition of human recombinant ZAP70	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID435280	Binding constant for CSF1R kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625028	Binding constant for ASK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424911	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624782	Binding constant for FGFR3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425179	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID273837	Inhibition of human recombinant SRC	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID624917	Binding constant for MST3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625137	Binding constant for MEK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID436047	Binding constant for full-length PRKX	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1424946	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425057	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1741600	Inhibition of recombinant human full-length His-tagged Aurora B expressed in baculovirus expression system using 5-FAM-LRRASLG-CONH2 as substrate preincubated for 60 mins followed by substrate addition by microfluidic assay	2020	European journal of medicinal chemistry, Oct-01, Volume: 203ISSN: 1768-3254	Discovery of SP-96, the first non-ATP-competitive Aurora Kinase B inhibitor, for reduced myelosuppression.
AID625093	Binding constant for TNIK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424949	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435651	Binding constant for DCAMKL2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435546	Binding constant for PRKG1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435897	Binding constant for ABL1(T315I) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624713	Binding constant for ERK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624816	Binding constant for HPK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624789	Binding constant for KIT(D816V) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624784	Binding constant for INSR kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435804	Binding constant for LYN kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624839	Binding constant for AKT2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624806	Binding constant for RPS6KA4(Kin.Dom.1-N-terminal) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435687	Binding constant for PAK7/PAK5 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625044	Binding constant for PIK3CA(M1043I) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424970	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1424890	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435785	Binding constant for full-length CDK2	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435401	Binding constant for full-length DRAK2	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435288	Binding constant for EPHB2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435159	Binding constant for EPHB3 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435445	Binding constant for ZAP70 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1419664	Selectivity for Aurora B kinase (unknown origin) over Aurora A kinase (unknown origin)	2017	European journal of medicinal chemistry, Nov-10, Volume: 140ISSN: 1768-3254	A comprehensive review on Aurora kinase: Small molecule inhibitors and clinical trial studies.
AID624888	Binding constant for ERK5 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424975	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625012	Binding constant for GAK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435533	Binding constant for NEK1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624996	Binding constant for EGFR kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625004	Binding constant for EGFR(L858R,T790M) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435792	Binding constant for EGFR(S752-I759del) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624827	Binding constant for CAMK2B kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624989	Binding constant for ABL1(T315I)-phosphorylated kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435188	Binding constant for PAK6 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625007	Binding constant for EGFR(T790M) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425078	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1424917	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID273841	Inhibition of human recombinant KDR	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID624731	Binding constant for CAMK2G kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425148	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624817	Binding constant for MYO3B kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624983	Binding constant for ABL1(H396P)-non phosphorylated kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435328	Binding constant for YES kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625033	Binding constant for PCTK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624856	Binding constant for GSK3B kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624772	Binding constant for AURKB kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624857	Binding constant for HCK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425003	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625065	Binding constant for CIT kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624705	Binding constant for MYLK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424979	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435560	Binding constant for SNF1LK kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435191	Binding constant for full-length RIOK3	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625110	Binding constant for TRPM6 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435653	Binding constant for EGFR(L747-S752del, P753S) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435146	Binding constant for ABL1(H396P) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625086	Binding constant for SLK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424944	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425198	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625014	Binding constant for PRKCE kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624932	Binding constant for CLK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1650156	Inhibition of AURKB in human HEK293T cells assessed as reduction in cell viability at 40 nM measured after 48 hrs relative to control	2020	Bioorganic & medicinal chemistry, 01-01, Volume: 28, Issue:1 ISSN: 1464-3391	Generation of highly potent DYRK1A-dependent inducers of human β-Cell replication via Multi-Dimensional compound optimization.
AID435531	Binding constant for MKNK2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435896	Binding constant for AAK1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435433	Binding constant for full-length MST1	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435149	Binding constant for AMPK-alpha2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1424960	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425017	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624968	Binding constant for DRAK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624803	Binding constant for CHEK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625083	Binding constant for LATS2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435932	Binding constant for PKAC-alpha kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625038	Binding constant for PIK3CA(E542K) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424963	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425144	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1424893	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624734	Binding constant for YANK3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425046	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1424977	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624998	Binding constant for EGFR(G719C) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425071	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435281	Binding constant for full-length CSNK1A1L	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625054	Binding constant for MST2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624994	Binding constant for AKT1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435688	Binding constant for full-length PCTK2	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425106	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425045	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1870289	Inhibition of AURKB in human RPE cells over expressing H2B-GFP-fused MYC assessed as reduction in phosphorylation at Ser10 residues at 200 nM using histone H3 as substrate measured after 6 hrs by immunofluorescence assay	2022	ACS medicinal chemistry letters, Jul-14, Volume: 13, Issue:7 ISSN: 1948-5875	Discovery and Optimization of Seven-Membered Lactam-Based Compounds to Phenocopy the Inhibition of the Aurora Kinase B.
AID435400	Binding constant for DDR1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1424915	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624873	Binding constant for PAK3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625114	Binding constant for GSK3A kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435778	Binding constant for full-length ADCK4	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435526	Binding constant for FGFR1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435911	Binding constant for MEK6 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624781	Binding constant for CDK4-cyclinD3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435514	Binding constant for ABL1(M351T) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625143	Binding constant for CAMKK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435293	Binding constant for JNK3 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435557	Binding constant for RIPK1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1424991	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624911	Binding constant for TXK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435408	Binding constant for INSR kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625026	Binding constant for MAP3K1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625141	Binding constant for RIOK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID353619	Inhibition of aurora A kinase	2009	Journal of medicinal chemistry, May-14, Volume: 52, Issue:9 ISSN: 1520-4804	Discovery and development of aurora kinase inhibitors as anticancer agents.
AID1425013	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624766	Binding constant for p38-gamma kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435180	Binding constant for MAPKAPK2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624841	Binding constant for BLK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435430	Binding constant for INSRR kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435311	Binding constant for HCK kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435556	Binding constant for RAF1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625115	Binding constant for PAK6 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424920	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425048	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624936	Binding constant for FLT3(D835Y) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625120	Binding constant for EPHA8 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624887	Binding constant for ERK3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435777	Binding constant for ABL2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435692	Binding constant for STK16 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1424965	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625101	Binding constant for TAOK3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435677	Binding constant for LOK kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624704	Binding constant for NEK9 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424986	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624976	Binding constant for PRKX kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424898	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624859	Binding constant for JAK1(JH1domain-catalytic) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425141	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID353654	Inhibition of aurora B in human SW620 cells assessed as inhibition of histone H3 phosphorylation	2009	Journal of medicinal chemistry, May-14, Volume: 52, Issue:9 ISSN: 1520-4804	Discovery and development of aurora kinase inhibitors as anticancer agents.
AID1424973	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425098	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435803	Binding constant for full-length LIMK1	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625015	Binding constant for ROCK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435286	Binding constant for EPHA7 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425147	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435898	Binding constant for ACVR1B kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425007	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625092	Binding constant for NDR2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435294	Binding constant for full-length LIMK2	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625018	Binding constant for YES kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624733	Binding constant for SIK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625121	Binding constant for RET kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625046	Binding constant for PIK3CB kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435150	Binding constant for ARK5 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435563	Binding constant for TNIK kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425165	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625127	Binding constant for RSK3(Kin.Dom.1-N-terminal) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624922	Binding constant for CAMK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624978	Binding constant for ABL1(E255K)-phosphorylated kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625060	Binding constant for CAMKK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624767	Binding constant for MERTK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435906	Binding constant for EGFR(L747-T751del,Sins) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435551	Binding constant for full-length p38-beta	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625119	Binding constant for CAMK1G kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625056	Binding constant for TESK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435282	Binding constant for full-length CSNK1G2	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435648	Binding constant for CAMKK2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1424941	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624963	Binding constant for LATS1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624720	Binding constant for HIPK4 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624760	Binding constant for PFPK5(P.falciparum) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625061	Binding constant for MAP4K5 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435198	Binding constant for TIE1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435775	Binding constant for ABL1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435170	Binding constant for MYO3A kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435807	Binding constant for MARK1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425040	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435322	Binding constant for PRKG2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID436023	Binding constant for MERTK kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625023	Binding constant for HIPK3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624771	Binding constant for TLK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1186614	Cytotoxicity against human THP1 cells assessed as cell viability after 48 hrs by MTT assay	2014	European journal of medicinal chemistry, Oct-06, Volume: 85ISSN: 1768-3254	Novel acylureidoindolin-2-one derivatives as dual Aurora B/FLT3 inhibitors for the treatment of acute myeloid leukemia.
AID273834	Inhibition of human recombinant IGFR	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID1424931	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435780	Binding constant for BMPR2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624974	Binding constant for PIK3CD kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424896	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625102	Binding constant for PRKD2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624829	Binding constant for CDK8 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435161	Binding constant for FES kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425095	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435674	Binding constant for JAK3(Kin.Dom.2/JH1 - catalytic) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625140	Binding constant for MARK4 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424929	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425163	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624961	Binding constant for TGFBR1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624918	Binding constant for DYRK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624838	Binding constant for ACVR2A kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625094	Binding constant for CDK11 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435789	Binding constant for full-length CSNK2A2	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1184111	Inhibition of Aurora B in human HepG2 cells assessed as decrease in pHH3 level at 10 uM after 4 hrs by high-throughput dot-blot system	2014	European journal of medicinal chemistry, Sep-12, Volume: 84ISSN: 1768-3254	Bioisosteric replacement of an acylureido moiety attached to an indolin-2-one scaffold with a malonamido or a 2/4-pyridinoylamido moiety produces a selectively potent Aurora-B inhibitor.
AID624944	Binding constant for ALK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424968	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624716	Binding constant for CSNK1D kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625052	Binding constant for PRKG1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435661	Binding constant for full-length MKNK1	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1184118	Antimigratory activity against human A549 cells assessed as inhibition of cell migration after 8 to 24 hrs by scratch wound model assay	2014	European journal of medicinal chemistry, Sep-12, Volume: 84ISSN: 1768-3254	Bioisosteric replacement of an acylureido moiety attached to an indolin-2-one scaffold with a malonamido or a 2/4-pyridinoylamido moiety produces a selectively potent Aurora-B inhibitor.
AID436020	Binding constant for GCN2(Kin.Dom.2,S808G) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425176	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624890	Binding constant for p38-beta kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435323	Binding constant for RET(M918T) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624966	Binding constant for DCAMKL1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624951	Binding constant for EPHA2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435794	Binding constant for EPHA3 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425171	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624938	Binding constant for FLT3(K663Q) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625029	Binding constant for BRK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625000	Binding constant for EGFR(L747-E749del, A750P) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624949	Binding constant for CSNK1G3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425212	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425160	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624862	Binding constant for LYN kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625106	Binding constant for MARK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424904	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624826	Binding constant for BMPR2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624811	Binding constant for PAK4 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624751	Binding constant for PIP5K1C kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625050	Binding constant for PKN2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624727	Binding constant for FYN kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435676	Binding constant for LCK kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1424899	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435662	Binding constant for MST2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624738	Binding constant for MLCK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424966	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425011	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435399	Binding constant for DCAMKL3 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435666	Binding constant for full-length NEK7	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624758	Binding constant for RIPK5 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624834	Binding constant for DAPK3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624770	Binding constant for CAMK2D kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435925	Binding constant for PCTK1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624975	Binding constant for PLK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425196	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID436032	Binding constant for MYO3B kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624941	Binding constant for CDKL1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624900	Binding constant for RSK1(Kin.Dom.1-N-terminal) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425030	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624743	Binding constant for LTK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425137	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435440	Binding constant for PIM2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425116	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624866	Binding constant for MLK3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624707	Binding constant for DCAMKL3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624815	Binding constant for ERBB4 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624907	Binding constant for SYK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624725	Binding constant for NEK11 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625042	Binding constant for PIK3CA(H1047Y) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435190	Binding constant for full-length PIP5K1A	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1424971	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624805	Binding constant for RSK3(Kin.Dom.2-C-terminal) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425016	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425020	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID273852	Inhibition of human recombinant PAK1	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID1424988	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624878	Binding constant for PIM1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435148	Binding constant for AMPK-alpha1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID436052	Binding constant for full-length SNF1LK2	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1424901	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425208	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425043	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624740	Binding constant for LRRK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624714	Binding constant for p38-alpha kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624920	Binding constant for MRCKA kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625098	Binding constant for IRAK4 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624940	Binding constant for FLT3(R834Q) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425096	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435394	Binding constant for CAMK2B kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624755	Binding constant for ZAK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425070	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624801	Binding constant for MAP3K15 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625123	Binding constant for RET(V804L) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625034	Binding constant for PDGFRA kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435795	Binding constant for EPHA4 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID436014	Binding constant for full-length DYRK1B	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID436048	Binding constant for full-length PTK2B	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624836	Binding constant for IKK-beta kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425056	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID273840	Inhibition of human recombinant PLK1	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID624746	Binding constant for WEE2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624945	Binding constant for BMPR1A kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624828	Binding constant for CDK3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624895	Binding constant for MEK6 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625047	Binding constant for AMPK-alpha2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435552	Binding constant for PIK3CA(E545K) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624960	Binding constant for RSK2(Kin.Dom.1-N-terminal) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625112	Binding constant for YANK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624702	Binding constant for BRSK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435276	Binding constant for BMPR1A kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625030	Binding constant for LOK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624709	Binding constant for MYLK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425024	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425195	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625073	Binding constant for SGK3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435411	Binding constant for KIT(D816V) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425086	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625126	Binding constant for TAOK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425008	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID273830	Rat clearance	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID625095	Binding constant for SIK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624761	Binding constant for CDC2L5 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435291	Binding constant for FGFR3 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1424955	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1424900	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435930	Binding constant for PHKG2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID273831	P450 isoforms 3A4	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID1425004	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435649	Binding constant for CDC2L2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID273839	Inhibition of human recombinant JAK3	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID435287	Binding constant for EPHA8 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625122	Binding constant for RET(M918T) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625108	Binding constant for MKNK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425063	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID273850	Inhibition of human recombinant Aurora C-INCENP	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID625043	Binding constant for PIK3CA(I800L) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424995	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624861	Binding constant for LIMK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424993	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425129	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435193	Binding constant for RPS6KA6(Kin.Dom.1 - C-terminal) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624843	Binding constant for CAMK4 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID436033	Binding constant for PIK3CA kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425113	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624863	Binding constant for MARK3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624997	Binding constant for EGFR(E746-A750del) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624790	Binding constant for KIT(L576P) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625069	Binding constant for TLK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435402	Binding constant for EGFR(G719S) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425185	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435801	Binding constant for full-length GSK3A	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425083	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625091	Binding constant for MAST1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624915	Binding constant for PIP5K2B kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424889	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID436044	Binding constant for PLK4 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425110	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625135	Binding constant for ADCK4 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID767466	Inhibition of FLT3 (unknown origin)	2013	Journal of medicinal chemistry, Sep-12, Volume: 56, Issue:17 ISSN: 1520-4804	Selectivity data: assessment, predictions, concordance, and implications.
AID1425033	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625089	Binding constant for AAK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625051	Binding constant for PRKCQ kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID436012	Binding constant for full-length CSNK2A1	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435312	Binding constant for MET kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID273853	Inhibition of human recombinant PKA	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID624819	Binding constant for ACVR1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424950	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1424984	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624786	Binding constant for KIT kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424952	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435189	Binding constant for full-length PDPK1	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435805	Binding constant for MAP4K5 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435822	Binding constant for MEK4 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625057	Binding constant for TYRO3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624752	Binding constant for SNRK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624832	Binding constant for IKK-alpha kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425090	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625133	Binding constant for CDC2L2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435790	Binding constant for DRAK1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435182	Binding constant for full-length PKAC-beta	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435410	Binding constant for KIT kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID599957	Binding affinity to human KIT incubated for 1 hr by kinase binding assay	2011	European journal of medicinal chemistry, Jun, Volume: 46, Issue:6 ISSN: 1768-3254	Discovery, synthesis, and investigation of the antitumor activity of novel piperazinylpyrimidine derivatives.
AID624990	Binding constant for ABL1(Y253F)-phosphorylated kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425118	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1424909	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435412	Binding constant for MAP3K5 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1184110	Inhibition of Aurora B in human A549 cells assessed as decrease in pHH3 level at 10 uM after 4 hrs by high-throughput dot-blot system	2014	European journal of medicinal chemistry, Sep-12, Volume: 84ISSN: 1768-3254	Bioisosteric replacement of an acylureido moiety attached to an indolin-2-one scaffold with a malonamido or a 2/4-pyridinoylamido moiety produces a selectively potent Aurora-B inhibitor.
AID624793	Binding constant for KIT(V559D,V654A) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625071	Binding constant for STK39 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624711	Binding constant for STK35 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435936	Binding constant for full-length SRPK1	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435168	Binding constant for LTK kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435295	Binding constant for MAP4K3 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425100	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435689	Binding constant for full-length PFTK1	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID273826	activity against the human ether-a-go-go-related gene (hERG)-encoded potassium channel was determined using conventional or automated whole-cell electrophysiology	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID1425067	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435529	Binding constant for LATS1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425000	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435679	Binding constant for PIM3 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435404	Binding constant for EPHB4 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625049	Binding constant for PRKCH kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID436016	Binding constant for full-length ERK1	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624889	Binding constant for JNK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425166	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425025	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435802	Binding constant for KIT(V559D,V654A) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425104	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435285	Binding constant for DMPK kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624867	Binding constant for MLK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425189	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID273851	log D7.5	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID624807	Binding constant for TNK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624910	Binding constant for TTK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID436019	Binding constant for FRK kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425190	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624984	Binding constant for ABL1(H396P)-phosphorylated kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625036	Binding constant for PIK3CA kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624933	Binding constant for PLK3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624780	Binding constant for CDK4-cyclinD1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435833	Binding constant for full-length TNK1	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1424921	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435659	Binding constant for full-length MARK3	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435660	Binding constant for full-length MELK	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435292	Binding constant for ITK kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435157	Binding constant for EGFR(G719C) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625040	Binding constant for PIK3CA(E545K) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435532	Binding constant for MST3 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425085	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425192	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1184109	Cytotoxicity against human HepG2 cells by SRB assay	2014	European journal of medicinal chemistry, Sep-12, Volume: 84ISSN: 1768-3254	Bioisosteric replacement of an acylureido moiety attached to an indolin-2-one scaffold with a malonamido or a 2/4-pyridinoylamido moiety produces a selectively potent Aurora-B inhibitor.
AID1425084	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624999	Binding constant for EGFR(G719S) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435937	Binding constant for TESK1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624737	Binding constant for EPHA5 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425107	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425162	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID436043	Binding constant for PKMYT1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1424914	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID436006	Binding constant for full-length AURKC	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624995	Binding constant for CSF1R kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625024	Binding constant for PRKD3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624722	Binding constant for MKK7 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624909	Binding constant for TGFBR2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624785	Binding constant for JAK3(JH1domain-catalytic) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425074	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425178	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624899	Binding constant for ROS1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425130	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435941	Binding constant for ZAK kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624993	Binding constant for ABL2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435439	Binding constant for PAK2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425037	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1424924	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1424948	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624874	Binding constant for PCTK3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624728	Binding constant for NIM1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625128	Binding constant for CSNK1G1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435562	Binding constant for STK36 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624923	Binding constant for MAPKAPK5 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425204	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625077	Binding constant for DAPK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424912	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624810	Binding constant for GCN2(Kin.Dom.2,S808G) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435800	Binding constant for FYN kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425164	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625082	Binding constant for RSK4(Kin.Dom.2-C-terminal) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625080	Binding constant for EIF2AK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435434	Binding constant for RET kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625020	Binding constant for ITK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625041	Binding constant for PIK3CA(H1047L) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624726	Binding constant for HIPK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624964	Binding constant for DYRK1B kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435693	Binding constant for TGFBR2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435160	Binding constant for FER kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435829	Binding constant for RPS6KA1(Kin.Dom.2 - C-terminal) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425002	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425174	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625078	Binding constant for SRPK3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425211	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624719	Binding constant for GRK7 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624776	Binding constant for PCTK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425142	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1424930	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1424918	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624858	Binding constant for JAK1(JH2domain-pseudokinase) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425201	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425080	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435201	Binding constant for TRKA kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624730	Binding constant for CAMK2A kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425120	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625100	Binding constant for NLK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435443	Binding constant for TXK kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1424922	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435203	Binding constant for TTK kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624892	Binding constant for p38-delta kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425127	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625142	Binding constant for TSSK1B kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435645	Binding constant for ACVRL1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435657	Binding constant for full-length IKK-epsilon	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624833	Binding constant for CSNK1G2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624812	Binding constant for SBK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424891	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624749	Binding constant for CASK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624985	Binding constant for ABL1(M351T)-phosphorylated kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624814	Binding constant for DCAMKL2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425023	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435319	Binding constant for PKN1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1424935	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625139	Binding constant for SNARK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625006	Binding constant for EGFR(S752-I759del) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435192	Binding constant for ROS1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425128	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435395	Binding constant for CDC2L1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625048	Binding constant for PRKCD kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424972	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435787	Binding constant for CLK2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624979	Binding constant for ABL1(F317I)-non phosphorylated kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425155	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435926	Binding constant for PDGFRB kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1424981	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425044	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435279	Binding constant for full-length CDK9	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425123	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624745	Binding constant for PKN1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435691	Binding constant for SgK085 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425136	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624818	Binding constant for ULK3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425036	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435646	Binding constant for BLK kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435650	Binding constant for full-length CSNK1E	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625125	Binding constant for CLK4 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID436053	Binding constant for full-length STK33	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435782	Binding constant for BRSK1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624914	Binding constant for WEE1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435284	Binding constant for DCAMKL1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435297	Binding constant for MLK1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624906	Binding constant for S6K1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625116	Binding constant for ADCK3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625035	Binding constant for PHKG1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425050	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1424976	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624959	Binding constant for MAP4K2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624710	Binding constant for SRMS kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425209	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624958	Binding constant for PIK3C2G kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425076	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425089	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435406	Binding constant for FLT3(D835H) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624754	Binding constant for NEK7 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624973	Binding constant for JAK2(JH1domain-catalytic) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624747	Binding constant for SgK110 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424934	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID273824	inhibition of histone-H3 phosphorylation following 24 hr incubation in SW620 tumor cells	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID435156	Binding constant for EGFR kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435527	Binding constant for FGFR3(G697C) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1545505	Inhibition of Aurora B (unknown origin)	2019	European journal of medicinal chemistry, May-15, Volume: 170ISSN: 1768-3254	Recent advancements of 4-aminoquinazoline derivatives as kinase inhibitors and their applications in medicinal chemistry.
AID1425018	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625113	Binding constant for MARK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625072	Binding constant for TBK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625084	Binding constant for HUNK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425175	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624891	Binding constant for JNK3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425111	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625105	Binding constant for EPHB2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425022	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1424925	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425062	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625097	Binding constant for TNNI3K kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425173	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624753	Binding constant for PKNB(M.tuberculosis) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425027	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625117	Binding constant for PAK7 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624823	Binding constant for MKNK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624977	Binding constant for OSR1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435171	Binding constant for NEK9 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425108	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435827	Binding constant for PDGFRA kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID273838	Inhibition of human recombinant CSK	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID435283	Binding constant for DAPK1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435675	Binding constant for KIT(V559D,T670I) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624908	Binding constant for TEC kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624926	Binding constant for RIOK3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425145	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625068	Binding constant for NEK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625138	Binding constant for STK33 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425181	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624850	Binding constant for DDR1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625019	Binding constant for AKT3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624955	Binding constant for EPHB3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625037	Binding constant for PIK3CA(C420R) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID436011	Binding constant for full-length CLK3	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1424907	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435518	Binding constant for AURKA kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624937	Binding constant for FLT3(ITD) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624744	Binding constant for ZAP70 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624988	Binding constant for ABL1(T315I)-non phosphorylated kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435935	Binding constant for RIPK2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425105	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624929	Binding constant for BRSK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435318	Binding constant for PAK1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624943	Binding constant for ACVR1B kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425170	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435933	Binding constant for PKN2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624765	Binding constant for TRKC kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624969	Binding constant for ROCK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624847	Binding constant for CSNK1E kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425194	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435414	Binding constant for MLK3 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624902	Binding constant for MEK4 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435559	Binding constant for SNARK kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624948	Binding constant for CSK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425180	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1424933	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425210	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435558	Binding constant for RPS6KA3(Kin.Dom.1 - N-terminal) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435899	Binding constant for AKT1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625103	Binding constant for MST4 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425039	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435830	Binding constant for RPS6KA2(Kin.Dom.2 - C-terminal) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625039	Binding constant for PIK3CA(E545A) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625079	Binding constant for NEK6 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425207	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435528	Binding constant for IRAK3 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435413	Binding constant for MLCK kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435429	Binding constant for FLT1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425203	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624842	Binding constant for BMX kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435202	Binding constant for TRKC kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624844	Binding constant for CDK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435310	Binding constant for FLT3(ITD) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435555	Binding constant for PRKR kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624723	Binding constant for CSNK1A1L kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624912	Binding constant for TYK2(JH1domain-catalytic) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425126	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID436045	Binding constant for PRKD1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624992	Binding constant for ABL1-phosphorylated kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625009	Binding constant for EPHA3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624987	Binding constant for ABL1(Q252H)-phosphorylated kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435290	Binding constant for FGFR2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625045	Binding constant for PIK3CA(Q546K) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435903	Binding constant for CDK8 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID436042	Binding constant for full-length PHKG1	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425167	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435326	Binding constant for TYRO3 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1424947	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425187	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624729	Binding constant for FAK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624708	Binding constant for CDC2L1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624742	Binding constant for NEK5 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624894	Binding constant for MEK3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424996	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624750	Binding constant for PRP4 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID436051	Binding constant for RPS6KA5(Kin.Dom.2 - N-terminal) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624901	Binding constant for RSK1(Kin.Dom.2-C-terminal) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624849	Binding constant for CSNK2A2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424919	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624825	Binding constant for BMPR1B kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624877	Binding constant for PIK3C2B kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425019	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435821	Binding constant for GAK kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425029	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625031	Binding constant for MRCKB kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425068	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624865	Binding constant for MAP3K3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624831	Binding constant for CHEK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624860	Binding constant for VEGFR2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435788	Binding constant for CLK4 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624777	Binding constant for DDR2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID436018	Binding constant for FLT4 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435516	Binding constant for ADCK3 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425151	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435330	Selectivity for AURKB as proportion of 290 kinases in screen with similar potency; non-selective = 1 highly selective = 0	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625008	Binding constant for EPHA1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424992	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID273849	Inhibition of human recombinant FAK	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID435647	Binding constant for CAMK2D kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624822	Binding constant for CDKL3 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435204	Binding constant for WEE1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID599959	Binding affinity to human KIT D816V mutant incubated for 1 hr by kinase binding assay	2011	European journal of medicinal chemistry, Jun, Volume: 46, Issue:6 ISSN: 1768-3254	Discovery, synthesis, and investigation of the antitumor activity of novel piperazinylpyrimidine derivatives.
AID1425157	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID436050	Binding constant for RPS6KA2(Kin.Dom.1 - N-terminal) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624957	Binding constant for EPHB6 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625129	Binding constant for HIPK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID436005	Binding constant for ANKK1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435808	Binding constant for full-length MEK1	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625053	Binding constant for PRKG2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625134	Binding constant for PIP5K2C kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624935	Binding constant for FLT3(D835H) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624883	Binding constant for PRKCI kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435806	Binding constant for MAPKAPK5 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625017	Binding constant for TIE1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424962	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1184119	Antimigratory activity against human A549 cells assessed as inhibition of cell migration after 8 to 24 hrs by transwell migration assay	2014	European journal of medicinal chemistry, Sep-12, Volume: 84ISSN: 1768-3254	Bioisosteric replacement of an acylureido moiety attached to an indolin-2-one scaffold with a malonamido or a 2/4-pyridinoylamido moiety produces a selectively potent Aurora-B inhibitor.
AID624787	Binding constant for KIT(A829P) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID436008	Binding constant for full-length BTK	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624942	Binding constant for DRAK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624795	Binding constant for MET(M1250T) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624798	Binding constant for LKB1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435431	Binding constant for MAP4K1 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435779	Binding constant for ALK kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435658	Binding constant for JAK2(Kin.Dom.2/JH1 - catalytic) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624953	Binding constant for EPHA7 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425156	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID436022	Binding constant for full-length MEK3	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID436017	Binding constant for ERK4 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1424902	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435407	Binding constant for FLT3(D835Y) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435554	Binding constant for PRKD3 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425081	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425168	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435194	Binding constant for RPS6KA6(Kin.Dom.2 - N-terminal) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624853	Binding constant for FLT1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435694	Binding constant for TNK2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1425052	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625104	Binding constant for MYO3A kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424897	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID436004	Binding constant for ACVR2A kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624967	Binding constant for RPS6KA5(Kin.Dom.2-C-terminal) kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435164	Binding constant for IGF1R kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624718	Binding constant for PFTAIRE2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624924	Binding constant for RIPK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625055	Binding constant for MST1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624800	Binding constant for IGF1R kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424892	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID624756	Binding constant for MAP4K4 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624886	Binding constant for ERK4 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624981	Binding constant for ABL1(F317L)-non phosphorylated kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624986	Binding constant for ABL1(Q252H)-non phosphorylated kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1424983	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID625070	Binding constant for PFTK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625136	Binding constant for YSK4 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID436046	Binding constant for PRKD2 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID1424954	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425047	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1650699	Inhibition of Aurora B (unknown origin)	2020	Bioorganic & medicinal chemistry letters, 02-01, Volume: 30, Issue:3 ISSN: 1464-3405	Discovery of novel 2,4-disubstituted pyrimidines as Aurora kinase inhibitors.
AID435151	Binding constant for CAMK1G kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435442	Binding constant for SYK kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625064	Binding constant for PIM2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID435799	Binding constant for FLT3 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID435545	Binding constant for NEK6 kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID624821	Binding constant for YANK1 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID625025	Binding constant for MAK kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID624840	Binding constant for AXL kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1425038	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1425154	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID1186610	Inhibition of Aurora B (unknown origin) using HLRRASLG substrate	2014	European journal of medicinal chemistry, Oct-06, Volume: 85ISSN: 1768-3254	Novel acylureidoindolin-2-one derivatives as dual Aurora B/FLT3 inhibitors for the treatment of acute myeloid leukemia.
AID1425188	Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry	2017	Science (New York, N.Y.), 12-01, Volume: 358, Issue:6367 ISSN: 1095-9203	The target landscape of clinical kinase drugs.
AID435325	Binding constant for RPS6KA4(Kin.Dom.1 - C-terminal) kinase domain	2008	Nature biotechnology, Jan, Volume: 26, Issue:1 ISSN: 1546-1696	A quantitative analysis of kinase inhibitor selectivity.
AID625021	Binding constant for LIMK2 kinase domain	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1296008	Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening	2020	SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1 ISSN: 2472-5560	Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347411	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Mechanism Interrogation Plate v5.0 (MIPE) Libary	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7 ISSN: 1554-8937	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1645848	NCATS Kinetic Aqueous Solubility Profiling	2019	Bioorganic & medicinal chemistry, 07-15, Volume: 27, Issue:14 ISSN: 1464-3391	Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5 ISSN: 1521-0111	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347160	Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 ISSN: 1091-6490	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347159	Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 ISSN: 1091-6490	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1346987	P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5 ISSN: 1521-0111	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID493040	Navigating the Kinome	2011	Nature chemical biology, Apr, Volume: 7, Issue:4 ISSN: 1552-4469	Navigating the kinome.
AID1347098	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347107	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347091	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347129	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for SK-N-SH cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347127	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Saos-2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347103	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347116	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for SJ-GBM2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347092	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347111	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for SK-N-MC cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347097	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347119	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for MG 63 (6-TG R) cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508591	NCATS Rat Liver Microsome Stability Profiling	2020	Scientific reports, 11-26, Volume: 10, Issue:1 ISSN: 2045-2322	Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
AID1347123	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Rh41 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347122	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for U-2 OS cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347121	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for control Hh wild type fibroblast cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347113	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for LAN-5 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347104	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347102	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347118	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for TC32 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347115	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for NB-EBc1 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347090	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347112	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for BT-12 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347083	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen	2020	Antiviral research, 01, Volume: 173ISSN: 1872-9096	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1745845	Primary qHTS for Inhibitors of ATXN expression	2022	The Journal of biological chemistry, 08, Volume: 298, Issue:8 ISSN: 1083-351X
AID1347110	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for A673 cells)	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347106	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347126	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Rh30 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508630	Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay	2021	Cell reports, 04-27, Volume: 35, Issue:4 ISSN: 2211-1247	A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347082	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173ISSN: 1872-9096	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347101	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347114	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for DAOY cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347125	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Rh18 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347093	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347105	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347095	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347094	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347124	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for RD cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347117	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for BT-37 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347096	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347100	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347154	Primary screen GU AMC qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 ISSN: 1091-6490	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347128	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for OHS-50 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347109	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for NB1643 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347089	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4 ISSN: 1949-2553	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347086	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173ISSN: 1872-9096	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1345688	Human aurora kinase B (Aurora kinase (Aur) family)	2009	Journal of medicinal chemistry, May-14, Volume: 52, Issue:9 ISSN: 1520-4804	Discovery and development of aurora kinase inhibitors as anticancer agents.
AID1345688	Human aurora kinase B (Aurora kinase (Aur) family)	2011	Nature biotechnology, Oct-30, Volume: 29, Issue:11 ISSN: 1546-1696	Comprehensive analysis of kinase inhibitor selectivity.
AID1798662	Aurora B Kinase Inhibition Assay from Article 10.1021/jm061335f: \\Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.\\	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.
AID1798663	Aurora A Kinase Inhibition Assay from Article 10.1021/jm061335f: \\Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.\\	2007	Journal of medicinal chemistry, May-03, Volume: 50, Issue:9 ISSN: 0022-2623	Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.

Research

Studies (31)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	3 (9.68)	29.6817
2010's	14 (45.16)	24.3611
2020's	14 (45.16)	2.80

Study Types

Publication Type	This drug (%)	All Drugs (%)
Trials	1 (3.23%)	5.53%
Reviews	3 (9.68%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	27 (87.10%)	84.16%

Substance	Classes	Roles	Relationship Strength
rtki cpd	aromatic ether; monochlorobenzenes; quinazolines	antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector	low
alfuzosin	monocarboxylic acid amide; quinazolines; tetrahydrofuranol	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent	low
bunazosin	quinazolines		low
cgs 15943	aromatic amine; biaryl; furans; organochlorine compound; primary amino compound; quinazolines; triazoloquinazoline	adenosine A1 receptor antagonist; adenosine A2A receptor antagonist; antineoplastic agent; central nervous system stimulant	low
cl 387785	bromobenzenes; quinazolines; secondary carboxamide; ynamide	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist	low
doxazosin	aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines	alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent	low
whi p97	quinazolines		low
ketanserin	aromatic ketone; organofluorine compound; piperidines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist	low
metolazone	organochlorine compound; quinazolines; sulfonamide	antihypertensive agent; diuretic; ion transport inhibitor	low
pd 153035	aromatic amine; aromatic ether; bromobenzenes; quinazolines; secondary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist	low
pd168393	acrylamides; bromobenzenes; quinazolines; secondary carboxamide; substituted aniline	epidermal growth factor receptor antagonist	low
prazosin	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor	low
terazosin	furans; piperazines; primary amino compound; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent	low
methaqualone	quinazolines	GABA agonist; sedative	low
quinethazone	quinazolines	antihypertensive agent; diuretic	low
quinazolines	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines		low
mecloqualone	quinazolines		low
quinelorane	quinazolines		low
halofuginone	quinazolines		low
glycosine	quinazolines		low
febrifugine	quinazolines		low
2,3-trimethylene-4-quinazolone	quinazolines		low
fenquizone	quinazolines		low
fenazaquin	quinazolines	acaricide; mitochondrial NADH:ubiquinone reductase inhibitor	low
fluquinconazole	conazole fungicide; dichlorobenzene; organofluorine compound; quinazolines; triazole fungicide; triazoles	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor	low
gefitinib	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist	low
cyclazosin	aromatic amide; aromatic ether; furans; monocarboxylic acid amide; quinazolines; quinoxaline derivative	adenosine A2A receptor antagonist	low
glyantrypine	quinazolines		low
canertinib	monochlorobenzenes; morpholines; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor	low
erlotinib	aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound	antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor	low
lapatinib	furans; organochlorine compound; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor	low
(5-amino-3-triazolo[1,5-a]quinazolinyl)-(4-morpholinyl)methanone	quinazolines		low
mrs 1220	quinazolines		low
3-deoxyvasicine	quinazolines		low
N-benzylquinazolin-4-amine	benzenes; quinazolines; secondary amino compound		low
2-(4-hydroxy-3-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one	quinazolines		low
N-(cyclohexylmethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazolin-9-amine	quinazolines		low
N-(2-pyridinylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine	quinazolines		low
N-[2-methyl-4-oxo-3-(phenylmethyl)-7-(1-piperidinyl)-6-quinazolinyl]-3-pyridinecarboxamide	quinazolines		low
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]acetamide	quinazolines		low
2-pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-one	quinazolines		low
N-[3-(trifluoromethyl)phenyl]-4-quinazolinamine	quinazolines		low
2-[(2-cyclohexyl-4-quinazolinyl)thio]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide	quinazolines		low
3-[[[[3-[(4-chlorophenyl)methyl]-2-methyl-4-oxo-6-quinazolinyl]amino]-oxomethyl]amino]propanoic acid ethyl ester	quinazolines		low
2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-3-ethyl-4-quinazolinone	quinazolines		low
2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]acetic acid cyclohexyl ester	quinazolines		low
2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one	quinazolines		low
2-(pyridin-4-yl)-4-(pyrrolidin-1-yl)quinazoline	pyridines; pyrrolidines; quinazolines		low
5-methyl-6-pyridin-4-yl-6H-benzimidazolo[1,2-c]quinazoline	quinazolines		low
2-[[2-[(2-methoxy-2-oxoethyl)thio]-4-oxo-3-quinazolinyl]oxy]acetic acid methyl ester	quinazolines		low
2-(1,3-benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one	quinazolines		low
3-methoxy-2-(3-pyridinylmethylthio)-4-quinazolinone	quinazolines		low
3,5,5-trimethyl-2-sulfanylidene-1,6-dihydrobenzo[h]quinazolin-4-one	quinazolines		low
N1-(6-bromo-4-quinazolinyl)-N4,N4-dimethylbenzene-1,4-diamine	quinazolines		low
N-(3-fluorophenyl)-2-(pyridin-4-yl)quinazolin-4-amine	aromatic amine; monofluorobenzenes; pyridines; quinazolines; secondary amino compound; substituted aniline		low
3-methyl-2-[2-(4-methyl-5-thiazolyl)ethylthio]-4-quinazolinone	quinazolines		low
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxo-3-quinazolinyl)acetamide	quinazolines		low
6-bromo-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one	quinazolines		low
N-methyl-2-(4-methylphenyl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine	piperidines; quinazolines; tertiary amino compound; toluenes		low
2-(2-furanyl)-3-(6-methyl-2-pyridinyl)-4-quinazolinone	quinazolines		low
2-(4-methoxyphenyl)-3-(3-pyridinyl)-4-quinazolinone	quinazolines		low
2-phenyl-1H-quinazoline-4-thione	quinazolines		low
2-(ethylthio)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one	quinazolines		low
2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-N-phenylacetamide	quinazolines		low
1,3-dimethyl-6-(4-morpholinylsulfonyl)quinazoline-2,4-dione	quinazolines		low
6,7-dimethoxy-3-phenyl-1H-quinazoline-2,4-dione	quinazolines		low
6-methoxy-4-methyl-2-[(2-methylphenyl)methylthio]quinazoline	quinazolines		low
2-(4-chlorophenyl)-4-propan-2-yloxyquinazoline	quinazolines		low
7-bromo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline	quinazolines		low
2-(3-methoxyphenyl)-4-propan-2-yloxyquinazoline	quinazolines		low
2-[[2-(5-methyl-2-thiophenyl)-2-oxoethyl]thio]-3-phenyl-4-quinazolinone	quinazolines		low
N-(phenylmethyl)-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide	quinazolines		low
2-(6-amino-2-methyl-4-oxo-3-quinazolinyl)-N-(2-methylphenyl)acetamide	quinazolines		low
6-amino-3-[(2-chlorophenyl)methyl]-2-propyl-4-quinazolinone	quinazolines		low
2-(4-chlorophenyl)-N-[2-(4-morpholinyl)ethyl]-4-quinazolinamine	quinazolines		low
4-(4-ethoxycarbonylanilino)-2-quinazolinecarboxylic acid ethyl ester	quinazolines		low
4-(4-anilinoanilino)-2-quinazolinecarboxylic acid ethyl ester	quinazolines		low
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-3-phenyl-4-quinazolinone	quinazolines		low
N-(2,4-dimethoxyphenyl)-2-(1-pyrrolidinyl)-4-quinazolinamine	quinazolines		low
3-(4-oxo-3-quinazolinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide	quinazolines		low
4-methoxy-N-[2-[(4-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]benzamide	quinazolines		low
N-(4-methoxyphenyl)-2-(3-nitrophenyl)-4-quinazolinamine	quinazolines		low
2-[(2-tert-butyl-4-quinazolinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide	quinazolines		low
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(phenylmethyl)-4-quinazolinyl]thio]ethanone	quinazolines		low
2-[(2-propyl-4-quinazolinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide	quinazolines		low
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2-propyl-4-quinazolinyl)thio]ethanone	quinazolines		low
N-(5-methyl-3-isoxazolyl)-2-[(2-propan-2-yl-4-quinazolinyl)thio]acetamide	quinazolines		low
Src Inhibitor-1	aromatic ether; polyether; quinazolines; secondary amino compound	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
6,7-dimethoxy-N-[(4-methylphenyl)methyl]-4-quinazolinamine	quinazolines		low
9-methyl-5,6,7,8-tetrahydrotetrazolo[5,1-b]quinazoline	quinazolines		low
2-[(2,4-dichlorophenyl)methylthio]-6,7-dimethoxy-3-(thiophen-2-ylmethyl)-4-quinazolinimine	quinazolines		low
7-chloro-N-(2-furanylmethyl)-4-quinazolinamine	quinazolines		low
4-methoxy-N-(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)benzamide	quinazolines		low
SMER 28	organobromine compound; quinazolines; secondary amino compound	autophagy inducer	low
4-methoxy-2-(4-propoxyphenyl)quinazoline	quinazolines		low
2-butoxy-3-phenyl-4-quinazolinone	quinazolines		low
N,N-dibutyl-2-(pyridin-4-yl)quinazolin-4-amine	pyridines; quinazolines; tertiary amino compound		low
4-chloro-N-(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)benzamide	quinazolines		low
2-(2-bromophenyl)-5-[(7-nitro-4-quinazolinyl)oxymethyl]-1,3,4-oxadiazole	quinazolines		low
3-[[4-(2-benzofuranyl)-2-thiazolyl]methyl]-2-[(dimethylamino)methyl]-4-quinazolinone	quinazolines		low
3-(benzenesulfonyl)-N-(3-methylphenyl)-5-triazolo[1,5-a]quinazolinamine	quinazolines		low
4-[2-[[3-(4-methylphenyl)-5-triazolo[1,5-a]quinazolinyl]amino]ethyl]benzenesulfonamide	quinazolines		low
6-bromo-3-[4-nitro-3-(trifluoromethyl)phenyl]-2-propyl-4-quinazolinone	quinazolines		low
12-oxo-N-(4-phenyl-2-thiazolyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide	quinazolines		low
4,5-dimethyl-2-[[1-oxo-2-(4-quinazolinyloxy)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester	quinazolines		low
7-[(6,8-dichloro-4-quinazolinyl)oxymethyl]-5-thiazolo[3,2-a]pyrimidinone	quinazolines		low
N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide	quinazolines		low
2-[[3-(2,4-difluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(2,3-dihydro-1H-inden-5-yl)acetamide	quinazolines		low
2-[[3-[(4-fluorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-(thiophen-2-ylmethyl)acetamide	quinazolines		low
3-(2-furanylmethyl)-4-oxo-N,N-dipropyl-2-sulfanylidene-1H-quinazoline-7-carboxamide	quinazolines		low
7-(4-quinazolinyloxymethyl)-5-thiazolo[3,2-a]pyrimidinone	quinazolines		low
N'-(4-quinazolinyl)acetohydrazide	quinazolines		low
4-methyl-N'-(4-quinazolinyl)benzohydrazide	quinazolines		low
N-{3-[(2-phenylquinazolin-4-yl)amino]phenyl}acetamide	acetamide; aromatic amine; quinazolines; secondary amino compound; substituted aniline		low
N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide	quinazolines		low
2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-cyclopropylacetamide	quinazolines		low
N4-(5-Fluoro-4-imino-3,4-dihydroquinazolin-3-yl)isonicotinamide	quinazolines		low
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-sulfanylidene-1H-quinazolin-4-one	quinazolines		low
2-[(4-chlorophenyl)methyl]-4-(prop-2-enylthio)quinazoline	quinazolines		low
2-(4-nitrophenyl)-N-(2-oxolanylmethyl)-4-quinazolinamine	quinazolines		low
7-chloro-2-methyl-3-(4-pyridylmethyl)-3,4-dihydroquinazolin-4-one	quinazolines		low
2-[(7-chloro-4-quinazolinyl)oxy]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone	quinazolines		low
3,3-dimethyl-1-[[9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]thio]-2-butanone	quinazolines		low
2-(4,6,7-Trimethyl-2-quinazolinyl)guanidine	quinazolines		low
LSM-19241	quinazolines		low
LSM-19663	quinazolines		low
N-[7-(2-furanyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide	quinazolines		low
2-(2,4-dichlorophenyl)-3-(phenylmethyl)-1,2-dihydroquinazolin-4-one	quinazolines		low
4-(3-methoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione	quinazolines		low
4-[[3-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester	quinazolines		low
2-(3-nitrophenyl)-N-(phenylmethyl)-4-quinazolinamine	quinazolines		low
3-(2-furanylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one	quinazolines		low
LSM-19894	quinazolines		low
importazole	quinazolines		low
2-(1,3-benzothiazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one	quinazolines		low
6,7-dimethoxy-3-(2-oxolanylmethyl)-2-sulfanylidene-1H-quinazolin-4-one	quinazolines		low
4-(6-quinolinyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione	quinazolines		low
9-phenyl-1,5,6,7,8,9-hexahydro-[1,2,4]triazolo[5,1-b]quinazoline	quinazolines		low
2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]propanenitrile	quinazolines		low
altanserin	quinazolines		low
tandutinib	aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; piperidines; quinazolines; tertiary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
zd 6474	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor	low
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]thio]acetamide	quinazolines		low
2-(methylthio)-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one	quinazolines		low
N'-[2-[(2-cyclohexyl-4-quinazolinyl)thio]-1-oxoethyl]-2-methylpropanehydrazide	quinazolines		low
1-(3,5-dimethyl-1-piperidinyl)-2-[[2-(thiophen-2-ylmethyl)-4-quinazolinyl]thio]ethanone	quinazolines		low
ml106	quinazolines		low
6-(1,3-benzodioxol-5-yl)-N-(2-furanylmethyl)-N-methyl-4-quinazolinamine	quinazolines		low
N-(2-furanylmethyl)-6-(3-methoxyphenyl)-N-methyl-4-quinazolinamine	quinazolines		low
6-(1,3-benzodioxol-5-yl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine	quinazolines		low
6-(2-chlorophenyl)-N-(3-pyridinylmethyl)-4-quinazolinamine	quinazolines		low
6-(3-furanyl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine	quinazolines		low
6-(3-pyridinyl)-N-(3-pyridinylmethyl)-4-quinazolinamine	quinazolines		low
6-(3-furanyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine	quinazolines		low
6-(3-methoxyphenyl)-N-(3-pyridinylmethyl)-4-quinazolinamine	quinazolines		low
6-(2-chlorophenyl)-N-(2-furanylmethyl)-N-methyl-4-quinazolinamine	quinazolines		low
6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine	quinazolines		low
6-(3-furanyl)-N-(3-pyridinylmethyl)-4-quinazolinamine	quinazolines		low
N-[(3-methylphenyl)methyl]-6-(3-pyridinyl)-4-quinazolinamine	quinazolines		low
2-[5-[[2-(3-methoxypropylamino)-2-oxoethyl]thio]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(phenylmethyl)acetamide	quinazolines		low
3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one	quinazolines		low
3-[2-[butyl(methyl)amino]ethyl]-6-(4-morpholinyl)-2-sulfanylidene-1H-quinazolin-4-one	quinazolines		low
N-(3-chlorophenyl)-2-[6,7-dimethoxy-2,4-dioxo-3-(2-oxolanylmethyl)-1-quinazolinyl]acetamide	quinazolines		low
2,4-dioxo-3-pentyl-N-[3-(1-piperidinyl)propyl]-1H-quinazoline-7-carboxamide	quinazolines		low
2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide	quinazolines		low
2-(6-benzimidazolo[1,2-c]quinazolinylthio)-N-(2-furanylmethyl)acetamide	quinazolines		low
2-(3-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one	quinazolines		low
3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxobutyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one	quinazolines		low
5a,6,7,8,9,10-hexahydro-5H-azepino[2,1-b]quinazolin-12-one	quinazolines		low
N-(1,3-benzodioxol-5-ylmethyl)-3-cyclopentyl-2,4-dioxo-1H-quinazoline-7-carboxamide	quinazolines		low
6,7-diethoxy-3-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-sulfanylidene-1H-quinazolin-4-one	quinazolines		low
2-(1,3-benzodioxol-5-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one	quinazolines		low
5-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-furanylmethyl)pentanamide	quinazolines		low
6-chloro-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1H-quinazolin-4-one	quinazolines		low
2,4-dioxo-3-(2-oxolanylmethyl)-N-pentyl-1H-quinazoline-7-carboxamide	quinazolines		low
4-[1,3-dioxo-3-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)amino]propyl]-1-piperazinecarboxylic acid ethyl ester	quinazolines		low
N-butyl-2-[[6-(4-morpholinyl)-4-oxo-3-(2-phenylethyl)-2-quinazolinyl]thio]acetamide	quinazolines		low
6,7-diethoxy-3-(3-methoxypropyl)-2-sulfanylidene-1H-quinazolin-4-one	quinazolines		low
savirin	quinazolines		low
4-[(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(3-methoxypropyl)-1-cyclohexanecarboxamide	quinazolines		low
6,7-dimethoxy-4-(2-oxolanylmethylamino)-1H-quinazoline-2-thione	quinazolines		low
N-(5-methyl-1H-pyrazol-3-yl)-2-[[3-oxo-2-(phenylmethyl)-2H-imidazo[1,2-c]quinazolin-5-yl]thio]acetamide	quinazolines		low
3-(4-chlorophenyl)-2-(1-pyrrolidinyl)-4-quinazolinone	quinazolines		low
2-[2,4-dioxo-3-(phenylmethyl)-1-quinazolinyl]-N-(5-methyl-3-isoxazolyl)acetamide	quinazolines		low
2-(2-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one	quinazolines		low
4-[4-oxo-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-3-quinazolinyl]-1-piperidinecarboxylic acid ethyl ester	quinazolines		low
3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one	quinazolines		low
1-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-3-(3-pyridinylmethyl)thiourea	quinazolines		low
3-[3-(N-ethylanilino)propyl]-6-(4-morpholinyl)-2-sulfanylidene-1H-quinazolin-4-one	quinazolines		low
8-methylene-7-(phenylmethyl)-5H-[1,3]dioxolo[4,5-g]quinazoline-6-thione	quinazolines		low
2-[4-methoxy-3-(4-morpholinylmethyl)phenyl]-3-(phenylmethyl)-1,2-dihydroquinazolin-4-one	quinazolines		low
N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)benzenesulfonamide	quinazolines		low
N-[2-[(3-nitrophenyl)methylthio]-4-oxo-3-quinazolinyl]benzamide	quinazolines		low
7-chloro-3-hydroxy-2-[3-(trifluoromethyl)phenyl]-4-quinazolinone	quinazolines		low
3,5-diethyl-2-(3-hydroxypropylamino)-5-methyl-6H-benzo[h]quinazolin-4-one	quinazolines		low
3-(2-methoxyphenyl)-2-methyl-4-oxo-1H-quinazoline-2-carboxylic acid methyl ester	quinazolines		low
1-butyl-1-methyl-3-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiourea	quinazolines		low
N,N-diethyl-2-[[7-[(4-methoxyphenyl)methyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]thio]acetamide	quinazolines		low
6-(4-morpholinyl)-3-(2-phenylethyl)-2-sulfanylidene-1H-quinazolin-4-one	quinazolines		low
N-(1,3-benzodioxol-5-ylmethyl)-6-[6-(4-morpholinyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]hexanamide	quinazolines		low
N-[4-oxo-2-(2-pyridinyl)-1,2-dihydroquinazolin-3-yl]acetamide	quinazolines		low
N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(4-quinazolinylthio)acetamide	quinazolines		low
3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester	quinazolines		low
2-(2-bromophenyl)-3-[3-(4-morpholinyl)propyl]-1,2-dihydroquinazolin-4-one	quinazolines		low
sch 79797	quinazolines		low
3,5-diethyl-2-(2-hydroxyethylamino)-5-methyl-6H-benzo[h]quinazolin-4-one	quinazolines		low
2-(2-(5-bromo-1h-indol-3-yl)ethyl)-3-(1-methylethoxyphenyl)-4-(3h)-quinazolinone	quinazolines		low
N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]carbamic acid ethyl ester	quinazolines		low
2-(4-morpholinyl)-10-pyridazino[6,1-b]quinazolinone	quinazolines		low
N-(4-ethylphenyl)-2-[[3-[3-(4-methyl-1-piperidinyl)propyl]-4-oxo-2-quinazolinyl]thio]acetamide	quinazolines		low
N-(3-{[2-(2-fluorophenyl)quinazolin-4-yl]amino}phenyl)acetamide	acetamide; aromatic amine; monofluorobenzenes; quinazolines; secondary amino compound; substituted aniline		low
1-cyclohexyl-3-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiourea	quinazolines		low
N-(2-methoxyethyl)-4-oxo-3-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide	quinazolines		low
4-(4-propan-2-ylphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one	quinazolines		low
6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide	quinazolines		low
N-(3-methoxyphenyl)-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]-2-phenylacetamide	quinazolines		low
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)-4-quinazolinamine	quinazolines		low
N-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amine	aromatic amine; piperidines; pyridines; quinazolines; secondary amino compound; tertiary amino compound		low
2-(4-oxo-3-quinazolinyl)-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide	quinazolines		low
N-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]carbamic acid ethyl ester	quinazolines		low
7-chloro-3-[2-(1-cyclohexenyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one	quinazolines		low
4-[2-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]-N-(phenylmethyl)butanamide	quinazolines		low
2-[[3-butyl-6-(4-morpholinyl)-4-oxo-2-quinazolinyl]thio]acetamide	quinazolines		low
4-(3,4-dimethoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione	quinazolines		low
2-[3-(1-benzotriazolylmethyl)-4-methoxyphenyl]-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one	quinazolines		low
N-cycloheptyl-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide	quinazolines		low
cb676475	quinazolines		low
1,5-dioxo-2,4-dihydropyrrolo[1,2-a]quinazoline-3-carboxylic acid ethyl ester	quinazolines		low
GSK3-XIII	aromatic amine; pyrazoles; quinazolines; secondary amino compound	EC 2.7.11.26 (tau-protein kinase) inhibitor	low
2-(1,3-benzoxazol-2-ylamino)-7,7-dimethyl-4-(2-pyridinyl)-1,4,6,8-tetrahydroquinazolin-5-one	quinazolines		low
N-[2-(2-fluorophenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine	quinazolines		low
N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-4-quinazolinamine	quinazolines		low
N-[3-(4-morpholinyl)propyl]-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide	quinazolines		low
3-(2-methoxyethyl)-2,4-dioxo-N-pentyl-1H-quinazoline-7-carboxamide	quinazolines		low
2-[(1-amino-1-oxopropan-2-yl)thio]-3-butyl-4-oxo-7-quinazolinecarboxylic acid methyl ester	quinazolines		low
ic 87114	6-aminopurines; biaryl; quinazolines	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
zm 447439	aromatic ether; benzamides; morpholines; polyether; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor	low
linagliptin	aminopiperidine; quinazolines	EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; hypoglycemic agent	low
bibw 2992	aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor	low
sotrastaurin	indoles; maleimides; N-alkylpiperazine; N-arylpiperazine; quinazolines	anticoronaviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunosuppressive agent	low
saracatinib	aromatic ether; benzodioxoles; diether; N-methylpiperazine; organochlorine compound; oxanes; quinazolines; secondary amino compound	anticoronaviral agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; radiosensitizing agent	low
luotonin a	quinazolines		low
PDGF receptor tyrosine kinase inhibitor III	aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; quinazolines; tertiary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
erastin	aromatic ether; diether; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; quinazolines; tertiary carboxamide	antineoplastic agent; ferroptosis inducer; voltage-dependent anion channel inhibitor	low
azd 8931	aromatic ether; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; tertiary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist	low
azd 1152	anilide; monoalkyl phosphate; monofluorobenzenes; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor; prodrug	low
pf 00299804	enamide; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist	low
lapatinib ditosylate	quinazolines		low
idelalisib	aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
N-(2-methoxyethyl)-2-[[3-[(4-methoxyphenyl)methyl]-6-(4-morpholinyl)-4-oxo-2-quinazolinyl]thio]acetamide	quinazolines		low
4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazo]-4-oxo-N-propan-2-ylbutanamide	quinazolines		low
N-butyl-N-methyl-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazo]-4-oxobutanamide	quinazolines		low
2-[4-[1-[(2-fluorophenyl)methyl]-2,4-dioxo-3-quinazolinyl]phenyl]-N-(2-oxolanylmethyl)acetamide	quinazolines		low
2-[6,7-dimethoxy-3-(3-methoxyphenyl)-2,4-dioxo-1-quinazolinyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide	quinazolines		low
N-butyl-3-[1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-3-quinazolinyl]propanamide	quinazolines		low
1-[(4-methylphenyl)methyl]-2,4-dioxo-N-(phenylmethyl)-3-prop-2-enyl-7-quinazolinecarboxamide	quinazolines		low
3-[(4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-2,4-dioxo-1H-quinazoline-7-carboxamide	quinazolines		low
2-[1-(4-bromophenoxy)butyl]-8,9-dimethoxy-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione	quinazolines		low
N-[3-(diethylamino)propyl]-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazo]-4-oxobutanamide	quinazolines		low
N-(3-ethynylphenyl)-6,7-dimethoxy-4-quinazolinamine	quinazolines		low
chaetominine	indole alkaloid; lactam; organic heterotetracyclic compound; quinazolines	metabolite	low
N-[3-(1-azepanyl)propyl]-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide	quinazolines		low
2-[[6-(4-morpholinyl)-4-oxo-3-(2-phenylethyl)-2-quinazolinyl]thio]-N-(2-oxolanylmethyl)acetamide	quinazolines		low
2-[[2-[2-(1-piperidinyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide	quinazolines		low
3-(4-methylphenyl)-5-oxo-N-propyl-8-thiazolo[2,3-b]quinazolinecarboxamide	quinazolines		low
3-(4-methylphenyl)-5-oxo-8-thiazolo[2,3-b]quinazolinecarboxamide	quinazolines		low
zm323881	aromatic ether; benzyl ether; fluorophenol; halophenol; monofluorobenzenes; organic cation; quinazolines; secondary amino compound; substituted aniline	vascular endothelial growth factor receptor antagonist	low
6-(3,5-dimethyl-4-isoxazolyl)-N-[(3-methoxyphenyl)methyl]-4-quinazolinamine	quinazolines		low
6-(3,5-dimethyl-4-isoxazolyl)-N-[(2-ethoxyphenyl)methyl]-4-quinazolinamine	quinazolines		low
N-[4-[[[6-(3,5-dimethyl-4-isoxazolyl)-4-quinazolinyl]amino]methyl]phenyl]acetamide	quinazolines		low
6-(3,5-dimethyl-4-isoxazolyl)-N-[(1-methyl-2-piperidinyl)methyl]-4-quinazolinamine	quinazolines		low
6-(3,5-dimethyl-4-isoxazolyl)-N-[1-(2-furanyl)ethyl]-4-quinazolinamine	quinazolines		low
6-(3,5-dimethyl-4-isoxazolyl)-N-[(3-methyl-2-thiophenyl)methyl]-4-quinazolinamine	quinazolines		low
4-[2-[(6-chloro-4-quinazolinyl)amino]ethyl]phenol	quinazolines		low
ast 1306	quinazolines		low
2-[[2-(phenoxymethyl)-4-quinazolinyl]thio]acetic acid methyl ester	quinazolines		low
poziotinib	acrylamides; aromatic ether; dichlorobenzene; diether; monofluorobenzenes; N-acylpiperidine; quinazolines; secondary amino compound; substituted aniline	antineoplastic agent; apoptosis inducer; epidermal growth factor receptor antagonist	low
N-[4-[[5-[5-hydroxy-4-oxo-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]phenyl]acetamide	quinazolines		low
N-(2-furanylmethyl)-N-methyl-6-(1-methyl-5-indolyl)-4-quinazolinamine	quinazolines		low
6-(2-chlorophenyl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine	quinazolines		low
6-(3-methoxyphenyl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine	quinazolines		low
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine	quinazolines		low
6-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine	quinazolines		low
6-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine	quinazolines		low
6-(3-pyridinyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine	quinazolines		low
6-(3-methylphenyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine	quinazolines		low
6-(1-methyl-5-indolyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine	quinazolines		low
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine	quinazolines		low
N-(1,3-benzodioxol-5-ylmethyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-quinazolinamine	quinazolines		low
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-pyridinylmethyl)-4-quinazolinamine	quinazolines		low
6-(1,3-benzodioxol-5-yl)-N-[(3-fluorophenyl)methyl]-4-quinazolinamine	quinazolines		low
6-(3-chlorophenyl)-N-(3-pyridinylmethyl)-4-quinazolinamine	quinazolines		low
6-(3-methylphenyl)-N-(3-pyridinylmethyl)-4-quinazolinamine	quinazolines		low
6-(1,3-benzodioxol-5-yl)-N-(3-pyridinylmethyl)-4-quinazolinamine	quinazolines		low
N-(1,3-benzodioxol-5-ylmethyl)-6-(2-chlorophenyl)-4-quinazolinamine	quinazolines		low
N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)-4-quinazolinamine	quinazolines		low
N-(1,3-benzodioxol-5-ylmethyl)-6-(3-pyridinyl)-4-quinazolinamine	quinazolines		low
N-(1,3-benzodioxol-5-ylmethyl)-6-(3-furanyl)-4-quinazolinamine	quinazolines		low
6-(2-chlorophenyl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine	quinazolines		low
6-(3-chlorophenyl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine	quinazolines		low
6-(3-methoxyphenyl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine	quinazolines		low
N-[(4-methyl-2-thiophenyl)methyl]-6-(3-pyridinyl)-4-quinazolinamine	quinazolines		low
6-(1,3-benzodioxol-5-yl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine	quinazolines		low
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine	quinazolines		low
6-(3-furanyl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine	quinazolines		low
4-[5-(3-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl)-2-furanyl]benzonitrile	quinazolines		low
2-[5-(2-fluorophenyl)-2-furanyl]-3-hydroxy-1,2-dihydroquinazolin-4-one	quinazolines		low
3-hydroxy-2-(5-thiophen-2-yl-2-furanyl)-1,2-dihydroquinazolin-4-one	quinazolines		low
2-[5-(3-fluorophenyl)-2-furanyl]-3-hydroxy-1,2-dihydroquinazolin-4-one	quinazolines		low
3-hydroxy-2-[5-[4-(trifluoromethyl)phenyl]-2-furanyl]-1,2-dihydroquinazolin-4-one	quinazolines		low
6-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)-4-quinazolinamine	quinazolines		low
cp 466722	quinazolines		low
[5-[4-[(5-methyl-2-furanyl)methylamino]-6-quinazolinyl]-2-furanyl]methanol	quinazolines		low
unc 0638	quinazolines		low
unc 0321	quinazolines		low
ML240	aromatic amine; aromatic ether; benzimidazoles; primary amino compound; quinazolines; secondary amino compound	antineoplastic agent	low
ncgc00242364	quinazolines		low
2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide	aromatic ether; methylpyridines; olefinic compound; quinazolines; secondary amino compound; secondary carboxamide; toluenes		low
N-[4-(3-chloro-4-fluoroanilino)-7-[[(3S)-3-oxolanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide	quinazolines		low
N-[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide	quinazolines		low
2-methoxy-n-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide	quinazolines		low
nu 1025	phenols; quinazolines	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	low
1-[amino-[(6-methoxy-4-methyl-2-quinazolinyl)amino]methylidene]-3-phenylurea	quinazolines		low
4-oxo-2-(trifluoromethyl)-1H-quinazoline-6-carboxylic acid ethyl ester	quinazolines		low
4-hydroxyquinazoline	quinazolines		low
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1H-quinazolin-4-one	quinazolines		low
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester	quinazolines		low
2-[[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]thio]methyl]-1H-quinazolin-4-one	quinazolines		low
3-(4-oxo-1H-quinazolin-2-yl)propanoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester	quinazolines		low
N-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide	quinazolines		low
1-cyclopentyl-1-[(4-oxo-1H-quinazolin-2-yl)methyl]-3-(phenylmethyl)urea	quinazolines		low
6,8-dibromo-2-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]-1H-quinazolin-4-one	quinazolines		low
2-(5'-chloro-2'-phosphoryloxyphenyl)-6-chloro-4-(3h)-quinazolinone	aryl phosphate; monochlorobenzenes; quinazolines	fluorochrome	low
glycosminine	quinazolines		low
N-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)butanamide	quinazolines		low
2-(4-methoxyphenyl)-1H-quinazolin-4-one	quinazolines		low
2-[(7-methoxy-4-methyl-2-quinazolinyl)amino]-5,6-dimethyl-1H-pyrimidin-4-one	quinazolines		low
6,7-dimethoxy-2-[(1H-1,2,4-triazol-5-ylthio)methyl]-1H-quinazolin-4-one	quinazolines		low
2-[(dimethylamino)methyl]-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]one	quinazolines		low
2-(diethylaminomethyl)-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]one	quinazolines		low
2-[5-(3-chlorophenyl)-2-furanyl]-1H-quinazolin-4-one	quinazolines		low
2-[(6-ethyl-4-methyl-2-quinazolinyl)amino]-1H-quinazolin-4-one	quinazolines		low
2-[(2-pyridinylthio)methyl]-1H-quinazolin-4-one	quinazolines		low
5,5-diethyl-2-(2-hydroxyethylamino)-1,6-dihydrobenzo[h]quinazolin-4-one	quinazolines		low
1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-4-piperidinecarboxamide	quinazolines		low
3-ethyl-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-4-quinazolinone	quinazolines		low
6,7-dimethoxy-2-[[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]methyl]-1H-quinazolin-4-one	quinazolines		low
2-[(6-ethyl-4-methyl-2-quinazolinyl)amino]-6-(methoxymethyl)-1H-pyrimidin-4-one	quinazolines		low
5,5-diethyl-2-hydrazinyl-1,6-dihydrobenzo[h]quinazolin-4-one	quinazolines		low
3-(3-ethoxypropyl)-1-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-(phenylmethyl)thiourea	quinazolines		low
chrysogine	cyclic amide; quinazoline alkaloid; quinazolines; secondary alcohol; secondary amide	Aspergillus metabolite; biological pigment; marine metabolite	low
N-[(cyclohexylamino)-oxomethyl]-2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]acetamide	quinazolines		low
7-[[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]methyl]-5-thiazolo[3,2-a]pyrimidinone	quinazolines		low
2-[[(6-ethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester	quinazolines		low
ARS-1620	quinazolines	antineoplastic agent; antiviral agent; inhibitor	low
butoctamide succinate	dicarboxylic acid monoester; hemisuccinate; secondary carboxamide		low
iodipamide	benzoic acids; organoiodine compound; secondary carboxamide	radioopaque medium	low
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide	benzamides; hydroxamic acid; secondary carboxamide; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor	low
nemonapride	benzamides; monochlorobenzenes; monomethoxybenzene; N-alkylpyrrolidine; secondary amino compound; secondary carboxamide; substituted aniline		low
niclosamide	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor	low
pilsicainide	organic heterobicyclic compound; secondary carboxamide	anti-arrhythmia drug; sodium channel blocker	low
pj-34	phenanthridines; secondary carboxamide; tertiary amino compound	angiogenesis inhibitor; anti-inflammatory agent; antiatherosclerotic agent; antineoplastic agent; apoptosis inducer; cardioprotective agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; neuroprotective agent	low
opc 12759	secondary carboxamide		low
suramin	naphthalenesulfonic acid; phenylureas; secondary carboxamide	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug	low
2-[[3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid	amidobenzoic acid; cinnamamides; secondary carboxamide		low
acedapsone	acetamides; anilide; secondary carboxamide; sulfone	antimalarial; antimicrobial drug	low
salicylurate	N-acylglycine; secondary carboxamide	human xenobiotic metabolite; uremic toxin	low
monoacetyldapsone	acetamides; anilide; secondary carboxamide; sulfone		low
n-methylolacrylamide	secondary carboxamide		low
win 18446	organochlorine compound; secondary carboxamide	EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor	low
carboxin	anilide fungicide; anilide; enamide; organosulfur heterocyclic compound; oxacycle; secondary carboxamide	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor	low
tromantadine	secondary carboxamide		low
aureothricin	dithiolopyrrolone antibiotic; secondary carboxamide	angiogenesis inhibitor; antibacterial agent; bacterial metabolite; EC 2.7.7.6 (RNA polymerase) inhibitor	low
morphazinamide	morpholines; pyrazines; secondary carboxamide		low
amperozide	diarylmethane; monofluorobenzenes; N-alkylpiperazine; secondary carboxamide; ureas	anxiolytic drug; dopamine uptake inhibitor; geroprotector; second generation antipsychotic; serotonergic antagonist	low
n-acetyltryptophanamide	acetamides; L-tryptophan derivative; primary carboxamide; secondary carboxamide		low
gamma-glutamyltyrosine	dicarboxylic acid; dipeptide; phenols; primary amino compound; secondary carboxamide	human metabolite	low
n-acetyldopamine	acetamides; catechols; N-(fatty acyl)-dopamine; secondary carboxamide	human urinary metabolite; marine metabolite	low
n-acetylcytidine	acetamides; cytidines; secondary carboxamide	metabolite	low
florfenicol	organochlorine compound; organofluorine compound; secondary alcohol; secondary carboxamide; sulfone	antimicrobial agent	low
marimastat	hydroxamic acid; secondary carboxamide	antineoplastic agent; matrix metalloproteinase inhibitor	low
n-(3-oxohexanoyl)-3-aminodihydro-2(3h)-furanone	N-acyl homoserine lactone; secondary carboxamide		low
mosapride	aromatic ether; benzamides; monochlorobenzenes; monofluorobenzenes; morpholines; secondary carboxamide; substituted aniline; tertiary amino compound		low
benzyloxycarbonylphenylalanylphenylalanine diazomethyl ketone	carboxylic ester; diazo compound; L-phenylalanine derivative; secondary carboxamide	cathepsin L (EC 3.4.22.15) inhibitor	low
yh 439	aromatic amide; isopropyl ester; secondary carboxamide		low
cyc 682	nitrile; nucleoside analogue; secondary carboxamide	antimetabolite; antineoplastic agent; DNA synthesis inhibitor; prodrug	low
sceptrin	pyrroles; secondary carboxamide		low
n(beta)-alanyldopamine	catechols; primary amino compound; secondary carboxamide		low
monoacetylcadaverine	acetamides; N-substituted cadaverine; primary amino compound; secondary carboxamide	human metabolite	low
N-(1-phenylethyl)acetamide	acetamides; secondary carboxamide		low
2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]acetamide	indoles; secondary carboxamide; trifluoroacetamide		low
xv 638	1,3-thiazoles; benzamides; diazepanone; diol; secondary alcohol; secondary carboxamide; ureas	HIV protease inhibitor	low
vibriobactin	1,3-oxazoles; secondary carboxamide	siderophore	low
bms 195614	benzoic acids; quinolines; secondary carboxamide	retinoic acid receptor alpha antagonist	low
tempace	aminoxyls; piperidinecarboxamide; secondary carboxamide	radiation protective agent; radical scavenger	low
dimethyloxalylglycine	glycine derivative; methyl ester; secondary carboxamide	EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor; neuroprotective agent	low
s 1033	(trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor	low
3-methyl-2-[[oxo-(4-pentoxyphenyl)methyl]amino]butanoic acid	secondary carboxamide		low
cinromide	cinnamamides; secondary carboxamide		low
4-[[2-furanyl(oxo)methyl]amino]benzoic acid propan-2-yl ester	aromatic amide; furans; isopropyl ester; secondary carboxamide		low
2,2,2-trifluoro-N-(2-methyl-8-quinolinyl)acetamide	quinolines; secondary carboxamide; trifluoroacetamide		low
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyrazinecarboxamide	primary carboxamide; pyrazines; secondary carboxamide		low
2-[[oxo(thiophen-2-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester	aromatic amide; isopropyl ester; secondary carboxamide; thiophenes		low
N-[1-[(4-chlorophenyl)methyl]-4-pyrazolyl]-2-pyrazinecarboxamide	pyrazines; secondary carboxamide		low
4-[[(4-bromo-2-ethyl-3-pyrazolyl)-oxomethyl]amino]benzoic acid propan-2-yl ester	aromatic amide; isopropyl ester; secondary carboxamide		low
(2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester	secondary carboxamide		low
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide	secondary carboxamide		low
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[2-(4-morpholinyl)ethyl]acetamide	morpholines; pyrimidone; secondary carboxamide; tertiary amino compound		low
N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide	monochlorobenzenes; pyrimidone; secondary carboxamide		low
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide	secondary carboxamide		low
2,2,2-trifluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide	pyrazoles; secondary carboxamide; trifluoroacetamide		low
N-(2-anilino-2-oxoethyl)-2-methoxybenzamide	secondary carboxamide		low
N-[5-[(2,6-dichlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-methyl-2-pyrazinecarboxamide	pyrazines; secondary carboxamide		low
(2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid (4-oxo-2-pyrimido[2,1-b][1,3]benzothiazolyl)methyl ester	secondary carboxamide		low
n-(1-oxyl-2,2,6,6-tetramethyl-4-piperidinyl)iodoacetamide	aminoxyls; organoiodine compound; piperidinecarboxamide; secondary carboxamide	radical scavenger; spin label	low
ANA-12	1-benzothiophenes; caprolactams; secondary carboxamide	antidepressant; anxiolytic drug; tropomyosin-related kinase B receptor antagonist	low
N-([biphenyl]-2-yl)-3-cyclopentylpropanamide	biphenyls; cyclopentanes; secondary carboxamide		low
bms 387032	1,3-oxazoles; 1,3-thiazoles; organic sulfide; piperidinecarboxamide; secondary carboxamide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
sr 144528	bridged compound; monochlorobenzenes; pyrazoles; secondary carboxamide	CB2 receptor antagonist; EC 2.3.1.26 (sterol O-acyltransferase) inhibitor	low
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide	benzodioxoles; pyridines; secondary carboxamide; tertiary carboxamide; trifluoroacetamide		low
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(4-methylphenyl)acetamide	secondary carboxamide; tertiary carboxamide; thiophenes; trifluoroacetamide		low
ML162	monochlorobenzenes; monomethoxybenzene; organochlorine compound; secondary carboxamide; tertiary carboxamide; thiophenes	EC 1.11.1.9 (glutathione peroxidase) inhibitor; ferroptosis inducer	low
N-[3-(N-(2-chloro-1-oxoethyl)-4-nitroanilino)propyl]-2,2,2-trifluoroacetamide	C-nitro compound; secondary carboxamide; tertiary carboxamide; trifluoroacetamide		low
2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid propan-2-yl ester	dimethoxybenzene; isopropyl ester; secondary carboxamide		low
fagaramide	cinnamamides; secondary carboxamide		low
arachidonyl dopamine	catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide		low
n-oleoyldopamine	catechols; fatty amide; N-(fatty acyl)-dopamine; secondary carboxamide	TRPV1 agonist	low
tranilast	amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide	anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent	low
arachidonyl-2-chloroethylamide	fatty amide; organochlorine compound; secondary carboxamide; synthetic cannabinoid	CB1 receptor agonist; CB2 receptor agonist; neuroprotective agent	low
l796778	benzenes; C-nitro compound; L-lysine derivative; L-phenylalanine derivative; methyl ester; oligopeptide; secondary carboxamide; ureas	somatostatin receptor agonist	low
l803087	benzenes; fluoroindole; guanidines; L-arginine derivative; methyl ester; phenylindole; secondary carboxamide	somatostatin receptor agonist	low
n-cinnamoyltyramine	cinnamamides; phenols; secondary carboxamide	allelochemical; antimicrobial agent; phytoalexin; platelet aggregation inhibitor	low
ag-490	catechols; enamide; monocarboxylic acid amide; nitrile; secondary carboxamide	anti-inflammatory agent; antioxidant; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector; STAT3 inhibitor	low
4-amylcinnamoylanthranilic acid	amidobenzoic acid; cinnamamides; secondary carboxamide	EC 3.1.1.4 (phospholipase A2) inhibitor; TRP channel blocker	low
batimastat	hydroxamic acid; L-phenylalanine derivative; organic sulfide; secondary carboxamide; thiophenes; triamide	angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor	low
pipercallosidine	alkaloid; benzodioxoles; enamide; secondary carboxamide	apoptosis inducer; metabolite; plant metabolite	low
pederin	cyclic ketal; diol; oxanes; polyketide; secondary alcohol; secondary carboxamide	antimitotic; antineoplastic agent; bacterial metabolite; vesicant	low
streptogramin a	1,3-oxazoles; cyclic ketone; enamide; lactam; macrolide antibiotic; macrolide; pyrroline; secondary alcohol; secondary carboxamide; tertiary carboxamide	antibacterial drug; Mycoplasma genitalium metabolite	low
cinanserin	aryl sulfide; cinnamamides; secondary carboxamide; tertiary amino compound	anticoronaviral agent; antiviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor	low
pepstatin	pentapeptide; secondary carboxamide	bacterial metabolite; EC 3.4.23.* (aspartic endopeptidase) inhibitor	low
ximelagatran	amidoxime; azetidines; carboxamide; ethyl ester; hydroxylamines; secondary amino compound; secondary carboxamide; tertiary carboxamide	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug; serine protease inhibitor	low
(6R,7R)-7-[[(2R)-2-carboxy-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-7-methoxy-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid	dicarboxylic acid; secondary carboxamide		low
salubrinal	aminal; organochlorine compound; quinolines; secondary carboxamide; thioureas		low
DPI2	benzenes; morpholines; secondary carboxamide; tertiary amino compound; thiazolidinone	ferroptosis inducer	low
su 1498	enamide; monocarboxylic acid amide; nitrile; phenols; secondary carboxamide	vascular endothelial growth factor receptor antagonist	low
n-feruloylserotonin	aromatic ether; cinnamamides; hydroxyindoles; phenols; secondary carboxamide	plant metabolite	low
oroidin	pyrroles; secondary carboxamide	metabolite	low
ro 42-5892	cyclopropanes; diol; L-histidine derivative; secondary carboxamide; sulfone	antihypertensive agent; EC 3.4.23.15 (renin) inhibitor; peptidomimetic; vasodilator agent	low
s 1006	1,3-thiazoles; carbamate ester; carboxylic acid; cephalosporin; enamide; secondary carboxamide	antibacterial drug	low
manumycin	enamide; epoxide; organic heterobicyclic compound; polyketide; secondary carboxamide; tertiary alcohol	antiatherosclerotic agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; marine metabolite	low
asukamycin	enamide; epoxide; organic heterobicyclic compound; polyketide; secondary carboxamide; tertiary alcohol	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; bacterial metabolite	low
kalimantacin a	alpha,beta-unsaturated monocarboxylic acid; carbamate ester; fatty acid derivative; secondary carboxamide	antibacterial agent; antimicrobial agent; bacterial metabolite	low
l 744832	benzenes; ether; isopropyl ester; secondary carboxamide; sulfone; thiol	antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; geroprotector	low
mocetinostat	aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline	antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent	low
l 779976	benzimidazoles; indoles; piperidinecarboxamide; primary amino compound; secondary carboxamide	neuroprotective agent; somatostatin receptor agonist	low
ustiloxin b	aromatic ether; heterodetic cyclic peptide; macrocycle; phenols; secondary alcohol; secondary carboxamide; sulfoxide	Aspergillus metabolite; microtubule-destabilising agent; mycotoxin	low
dysidenin	1,3-thiazoles; organochlorine compound; secondary carboxamide; tertiary carboxamide	animal metabolite; marine metabolite; toxin	low
avenanthramide b	amidobenzoic acid; cinnamamides; monohydroxybenzoic acid; monomethoxybenzene; phenols; secondary carboxamide	antineoplastic agent; apoptosis inducer; phytoalexin	low
azd2858	aromatic amine; N-methylpiperazine; pyrazines; pyridines; secondary carboxamide; sulfonamide	antineoplastic agent; bone density conservation agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator	low
betrixaban	benzamides; guanidines; monochloropyridine; monomethoxybenzene; secondary carboxamide	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor	low
fr 900848	cyclopropanes; nucleoside analogue; olefinic compound; polyketide; secondary carboxamide	antifungal agent; bacterial metabolite	low
pha 665752	dichlorobenzene; enamide; indolones; N-acylpyrrolidine; pyrrolecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide	antineoplastic agent; c-Met tyrosine kinase inhibitor	low
n-benzylhexadecanamide	macamide; secondary carboxamide	EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; neuroprotective agent; plant metabolite	low
chlorantranilipole	monochlorobenzenes; organobromine compound; pyrazole insecticide; pyrazoles; pyridines; secondary carboxamide	ryanodine receptor agonist	low
cenicriviroc	aromatic ether; benzazocine; diether; imidazoles; secondary carboxamide; sulfoxide	anti-HIV agent; anti-inflammatory agent; antirheumatic drug; chemokine receptor 2 antagonist; chemokine receptor 5 antagonist	low
at 7519	dichlorobenzene; piperidines; pyrazoles; secondary carboxamide	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
MI-63	azaspiro compound; monochlorobenzenes; monofluorobenzenes; morpholines; oxindoles; pyrrolidines; secondary carboxamide	apoptosis inducer	low
PF-00835231	aromatic ether; indolecarboxamide; L-leucine derivative; primary alcohol; pyrrolidin-2-ones; secondary carboxamide	anticoronaviral agent; drug metabolite; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor	low
cyantraniliprole	nitrile; organobromine compound; organochlorine compound; pyrazole insecticide; pyridines; secondary carboxamide	ryanodine receptor agonist	low
VPC 23019	aromatic amide; D-serine derivative; organic phosphate; phosphoric ester; secondary carboxamide	sphingosine-1-phosphate receptor 1 antagonist; sphingosine-1-phosphate receptor 3 antagonist	low
pd 0348292	monochlorobenzenes; monofluorobenzenes; pyridone; pyrrolidines; secondary carboxamide; ureas	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor; serine protease inhibitor	low
narlaprevir	azabicyclohexane; cyclopropanes; pyrrolidinecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide; ureas	anticoronaviral agent; antiviral drug; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; hepatitis C protease inhibitor	low
tosedostat	carboxylic ester; hydroxamic acid; secondary carboxamide		low
4-chloro-N-[1-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide	secondary carboxamide		low
CDN1163	aromatic ether; quinolines; secondary carboxamide	SERCA activator	low
(2S)-2-[[[5-[[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentylamino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]propanoic acid tert-butyl ester	secondary carboxamide; tert-butyl ester		low
(2S)-2-[[[5-[[methyl-(phenylmethyl)amino]-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid tert-butyl ester	secondary carboxamide; tert-butyl ester; tertiary carboxamide		low
(2S,3S,4R)-4-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-N-prop-2-ynyl-3,4-dihydro-2H-pyran-6-carboxamide	secondary carboxamide		low
sid 26681509	carbohydrazide; L-tryptophan derivative; secondary carboxamide; tert-butyl ester; thioester	antiplasmodial drug; cathepsin L (EC 3.4.22.15) inhibitor	low
azd 7545	benzamides; monochlorobenzenes; organofluorine compound; secondary carboxamide; sulfone; tertiary alcohol; tertiary carboxamide	EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor; hypoglycemic agent	low
sm 164	benzenes; organic heterobicyclic compound; secondary carboxamide; triazoles	antineoplastic agent; apoptosis inducer; radiosensitizing agent	low
sch772984	biaryl; indazoles; N-acylpiperazine; N-alkylpyrrolidine; N-arylpiperazine; pyridines; pyrimidines; pyrrolidinecarboxamide; secondary carboxamide; tertiary amino compound; tertiary carboxamide	analgesic; antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
GRL-0617	benzamides; naphthalenes; secondary carboxamide; substituted aniline	anticoronaviral agent; protease inhibitor	low
entrectinib	benzamides; difluorobenzene; indazoles; N-methylpiperazine; oxanes; secondary amino compound; secondary carboxamide	antibacterial agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
TAK-580	1,3-thiazolecarboxamide; aminopyrimidine; chloropyridine; organofluorine compound; pyrimidinecarboxamide; secondary carboxamide	antineoplastic agent; apoptosis inducer; B-Raf inhibitor	low
cx 5461	diazepine; naphthyridine derivative; organic heterotetracyclic compound; pyrazines; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.7.6 (RNA polymerase) inhibitor	low
KOM70144	acetamides; benzamides; naphthalenes; secondary carboxamide	anticoronaviral agent; protease inhibitor	low
monepantel	(trifluoromethyl)benzenes; aromatic ether; aryl sulfide; nitrile; secondary carboxamide	anthelminthic drug; nematicide	low
ulixacaltamide	benzamides; monochlorobenzenes; monofluorobenzenes; piperidines; secondary carboxamide	non-narcotic analgesic; T-type calcium channel blocker	low
EG00229	benzothiadiazole; dicarboxylic acid monoamide; L-arginine derivative; secondary carboxamide; sulfonamide; thiophenes	angiogenesis inhibitor; antineoplastic agent; neuropilin receptor antagonist	low
tak-632	(trifluoromethyl)benzenes; aromatic ether; benzothiazoles; cyclopropylcarboxamide; monofluorobenzenes; nitrile; secondary carboxamide	antineoplastic agent; apoptosis inducer; B-Raf inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; necroptosis inhibitor	low
lgk974	bipyridines; pyrazines; pyridines; secondary carboxamide	Wnt signalling inhibitor	low
gsk-5498a	(trifluoromethyl)benzenes; difluorobenzene; pyrazoles; secondary carboxamide	calcium channel blocker	low
raltegravir	1,2,4-oxadiazole; dicarboxylic acid amide; hydroxypyrimidine; monofluorobenzenes; pyrimidone; secondary carboxamide	antiviral drug; HIV-1 integrase inhibitor	low
lfm a13	aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor	low
teriflunomide	(trifluoromethyl)benzenes; aromatic amide; enamide; enol; nitrile; secondary carboxamide	drug metabolite; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; hepatotoxic agent; non-steroidal anti-inflammatory drug; tyrosine kinase inhibitor	low
gsk1265744	difluorobenzene; monocarboxylic acid amide; organic heterotricyclic compound; secondary carboxamide	HIV-1 integrase inhibitor	low
dolutegravir	difluorobenzene; monocarboxylic acid amide; organic heterotricyclic compound; secondary carboxamide	HIV-1 integrase inhibitor	low
LimKi 3	1,3-thiazoles; dichlorobenzene; organofluorine compound; pyrazoles; secondary carboxamide	LIM kinase inhibitor	low
MK-8353	aromatic ether; dihydropyridine; indazoles; methyl sulfide; N-alkylpyrrolidine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; triazoles	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
acp-196	aromatic amine; benzamides; imidazopyrazine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; ynone	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
gsk343	aminopyridine; indazoles; N-alkylpiperazine; N-arylpiperazine; pyridone; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor	low
osimertinib	acrylamides; aminopyrimidine; biaryl; indoles; monomethoxybenzene; secondary amino compound; secondary carboxamide; substituted aniline; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist	low
ivosidenib	cyanopyridine; monochlorobenzenes; organofluorine compound; pyrrolidin-2-ones; secondary carboxamide; tertiary carboxamide	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor	low
atogepant	azaspiro compound; organic heterotetracyclic compound; piperidones; secondary carboxamide; trifluorobenzene	calcitonin gene-related peptide receptor antagonist	low
DDR1-IN-1	(trifluoromethyl)benzenes; aromatic ether; benzamides; N-alkylpiperazine; oxindoles; secondary carboxamide	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
bictegravir	monocarboxylic acid amide; organic heterotetracyclic compound; secondary carboxamide; trifluorobenzene	HIV-1 integrase inhibitor	low
THZ531	aminopyrimidine; enamide; indoles; N-acylpiperidine; organochlorine compound; secondary amino compound; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
AZ3451	benzimidazoles; benzodioxoles; nitrile; organobromine compound; secondary carboxamide	anti-inflammatory agent; autophagy inducer; PAR2 negative allosteric modulator	low
MMP-9-IN-1	aromatic compound; organic sulfide; organofluorine compound; pyrimidone; secondary carboxamide	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor	low
althiomycin	1,3-thiazoles; aldoxime; ether; gamma-lactam; pentapeptide; peptide antibiotic; primary alcohol; pyrroline; secondary carboxamide; tertiary carboxamide	antibacterial agent; bacterial metabolite; protein synthesis inhibitor	low
colibactin	1,3-thiazoles; azaspiro compound; polyketide; pyrroline; secondary carboxamide	alkylating agent; carcinogenic agent; Escherichia coli metabolite; genotoxin	low
N-[(2S)-3-cyclohexyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]-1H-indole-2-carboxamide	aldehyde; indolecarboxamide; oligopeptide; pyrrolidin-2-ones; secondary carboxamide	anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor	low
3-fluoro-Nalpha-(1H-indol-2-ylcarbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide	aldehyde; indolecarboxamide; monofluorobenzenes; oligopeptide; pyrrolidin-2-ones; secondary carboxamide	anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor	low
PF-07304814	aromatic ether; indolecarboxamide; L-leucine derivative; phosphate monoester; pyrrolidin-2-ones; secondary carboxamide	anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; prodrug	low
nirmatrelvir	azabicyclohexane; nitrile; organofluorine compound; pyrrolidin-2-ones; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide	anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor	low
quinacrine	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor	low
8-hydroxy-2-(di-n-propylamino)tetralin	phenols; tertiary amino compound; tetralins	serotonergic antagonist	low
sk&f 77434	benzazepine; catechols; tertiary amino compound	dopamine agonist	low
pd 173074	aromatic amine; biaryl; dimethoxybenzene; pyridopyrimidine; tertiary amino compound; ureas	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist	low
ethylisopropylamiloride	aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound	anti-arrhythmia drug; neuroprotective agent; sodium channel blocker	low
methylbufotenin	aromatic ether; tertiary amino compound; tryptamine alkaloid	hallucinogen; plant metabolite	low
ro 48-8071	aromatic ether; aromatic ketone; bromobenzenes; monofluorobenzenes; olefinic compound; tertiary amino compound	antineoplastic agent; EC 5.4.99.7 (lanosterol synthase) inhibitor	low
amiodarone	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug	low
amodiaquine	aminoquinoline; organochlorine compound; phenols; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; drug allergen; EC 2.1.1.8 (histamine N-methyltransferase) inhibitor; non-steroidal anti-inflammatory drug; prodrug	low
antazoline	aromatic amine; imidazolines; tertiary amino compound	cholinergic antagonist; H1-receptor antagonist; xenobiotic	low
azelastine	monochlorobenzenes; phthalazines; tertiary amino compound	anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor	low
benefin	C-nitro compound; organofluorine compound; substituted aniline; tertiary amino compound	agrochemical; herbicide	low
biperiden	piperidines; tertiary alcohol; tertiary amino compound	antidote to sarin poisoning; antidyskinesia agent; antiparkinson drug; muscarinic antagonist; parasympatholytic	low
bromhexine	organobromine compound; substituted aniline; tertiary amino compound	mucolytic	low
bromodiphenhydramine	organobromine compound; tertiary amino compound	antimicrobial agent; H1-receptor antagonist; muscarinic antagonist	low
bupivacaine	aromatic amide; piperidinecarboxamide; tertiary amino compound		low
verapamil	aromatic ether; nitrile; polyether; tertiary amino compound		low
carbinoxamine	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist	low
chlorambucil	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent	low
chloroquine	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug	low
chlorpheniramine	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor	low
citalopram	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound		low
clofedanol	diarylmethane; tertiary amino compound	antitussive	low
cyclopentolate	carboxylic ester; tertiary alcohol; tertiary amino compound	diagnostic agent; muscarinic antagonist; mydriatic agent; parasympatholytic	low
cycrimine	piperidines; tertiary alcohol; tertiary amino compound	antidyskinesia agent; antiparkinson drug; muscarinic antagonist	low
dibucaine	aromatic ether; monocarboxylic acid amide; tertiary amino compound	topical anaesthetic	low
dilacor xr	acetate ester; aromatic ether; benzothiazepine; lactam; tertiary amino compound		low
diphenhydramine	ether; tertiary amino compound	anti-allergic agent; antidyskinesia agent; antiemetic; antiparkinson drug; antipruritic drug; antitussive; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; oneirogen; sedative	low
dipyridamole	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent	low
disopyramide	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug	low
1-phenyl-2-palmitoylamino-3-morpholino-1-propanol	benzyl alcohols; fatty amide; morpholines; secondary alcohol; tertiary amino compound		low
doxepin	dibenzooxepine; tertiary amino compound	antidepressant	low
profenamine	phenothiazines; tertiary amino compound	adrenergic antagonist; antidyskinesia agent; antiparkinson drug; histamine antagonist; muscarinic antagonist	low
flavoxate	carboxylic ester; flavones; piperidines; tertiary amino compound	antispasmodic drug; muscarinic antagonist; parasympatholytic	low
flurazepam	1,4-benzodiazepinone; monofluorobenzenes; organochlorine compound; tertiary amino compound	anticonvulsant; anxiolytic drug; GABAA receptor agonist; sedative	low
vanoxerine	ether; N-alkylpiperazine; organofluorine compound; tertiary amino compound	dopamine uptake inhibitor	low
gbr 12935	ether; N-alkylpiperazine; tertiary amino compound	dopamine uptake inhibitor	low
hydroxychloroquine	aminoquinoline; organochlorine compound; primary alcohol; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; dermatologic drug	low
lidocaine	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic	low
isothipendyl	aromatic amine; tertiary amino compound		low
ketotifen	cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound	anti-asthmatic drug; H1-receptor antagonist	low
lofepramine	aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound	antidepressant	low
meperidine	ethyl ester; piperidinecarboxylate ester; tertiary amino compound	antispasmodic drug; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic	low
mesoridazine	phenothiazines; sulfoxide; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic	low
methadone	benzenes; diarylmethane; ketone; tertiary amino compound		low
methiothepin	aryl sulfide; dibenzothiepine; N-alkylpiperazine; tertiary amino compound	antipsychotic agent; dopaminergic antagonist; geroprotector; serotonergic antagonist	low
metoclopramide	benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound	antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic	low
minoxidil	dialkylarylamine; tertiary amino compound		low
monodansylcadaverine	aminonaphthalene; primary amino compound; sulfonamide; tertiary amino compound	EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor; fluorochrome; protective agent	low
mosapramine	azaspiro compound; dibenzoazepine; organochlorine compound; tertiary amino compound		low
clorgyline	aromatic ether; dichlorobenzene; terminal acetylenic compound; tertiary amino compound	antidepressant; EC 1.4.3.4 (monoamine oxidase) inhibitor	low
nefopam	benzoxazocine; tertiary amino compound		low
nicardipine	benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound		low
nizatidine	1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound	anti-ulcer drug; cholinergic drug; H2-receptor antagonist	low
orphenadrine	ether; tertiary amino compound	antidyskinesia agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic	low
benoxinate	amino acid ester; benzoate ester; substituted aniline; tertiary amino compound	drug allergen; local anaesthetic; topical anaesthetic	low
oxybutynin	acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound	antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic	low
pheniramine	pyridines; tertiary amino compound		low
pipamperone	aromatic ketone; bipiperidines; monocarboxylic acid amide; organofluorine compound; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist	low
piromidic acid	monocarboxylic acid; pyridopyrimidine; pyrrolidines; quinolone antibiotic; tertiary amino compound	antibacterial drug; DNA synthesis inhibitor	low
procaine	benzoate ester; substituted aniline; tertiary amino compound	central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug	low
propiomazine	aromatic ketone; phenothiazines; tertiary amino compound	dopaminergic antagonist; histamine antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; sedative; serotonergic antagonist	low
psilocin	hydroxyindoles; phenols; tertiary amino compound; tryptamine alkaloid	drug metabolite; fungal metabolite; hallucinogen; human xenobiotic metabolite; serotonergic agonist	low
7-chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol	benzazepine; organochlorine compound; tertiary amino compound	dopaminergic antagonist	low
setiptiline	tertiary amino compound; tetracyclic antidepressant	alpha-adrenergic antagonist; serotonergic antagonist	low
sibutramine	organochlorine compound; tertiary amino compound	anti-obesity agent; serotonin uptake inhibitor	low
spiperone	aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound	alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist	low
tetracaine	benzoate ester; tertiary amino compound	local anaesthetic	low
tilorone	aromatic ether; diether; fluoren-9-ones; tertiary amino compound	anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist	low
tosufloxacin	1,8-naphthyridine derivative; amino acid; aminopyrrolidine; monocarboxylic acid; organofluorine compound; primary amino compound; quinolone antibiotic; tertiary amino compound		low
n,n,n',n'-tetrakis(2-pyridylmethyl)ethylenediamine	N-substituted diamine; pyridines; tertiary amino compound	apoptosis inducer; chelator; copper chelator	low
ultram	aromatic ether; tertiary alcohol; tertiary amino compound		low
trimethobenzamide	benzamides; tertiary amino compound	antiemetic	low
trimipramine	dibenzoazepine; tertiary amino compound	antidepressant; environmental contaminant; xenobiotic	low
venlafaxine	cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound	adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic	low
zotepine	dibenzothiepine; tertiary amino compound	alpha-adrenergic drug; second generation antipsychotic; serotonergic drug	low
phentolamine	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent	low
vincristine	acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator	low
aminopyrine	pyrazolone; tertiary amino compound	antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic	low
tetrabenazine	benzoquinolizine; cyclic ketone; tertiary amino compound		low
acepromazine	aromatic ketone; methyl ketone; phenothiazines; tertiary amino compound	phenothiazine antipsychotic drug	low
egtazic acid	diether; tertiary amino compound; tetracarboxylic acid	chelator	low
gramine	aminoalkylindole; indole alkaloid; tertiary amino compound	antibacterial agent; antiviral agent; plant metabolite; serotonergic antagonist	low
thenyldiamine	dialkylarylamine; tertiary amino compound		low
4-(dimethylamino)benzaldehyde	benzaldehydes; substituted aniline; tertiary amino compound	chromogenic compound	low
2-diethylaminoethanol	ethanolamines; primary alcohol; tertiary amino compound		low
triethanolamine	amino alcohol; tertiary amino compound; triol	buffer; surfactant	low
4-nitrosodimethylaniline	dimethylaniline; nitroso compound; tertiary amino compound		low
triethylenediamine	bridged compound; diamine; saturated organic heterobicyclic parent; tertiary amino compound	antioxidant; catalyst; reagent	low
galantamine	benzazepine alkaloid fundamental parent; benzazepine alkaloid; organic heterotetracyclic compound; tertiary amino compound	antidote to curare poisoning; cholinergic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant metabolite	low
beta-erythroidine	delta-lactone; indole alkaloid; organic heterotetracyclic compound; tertiary amino compound	muscle relaxant; plant metabolite	low
psilocybin	organic phosphate; tertiary amino compound; tryptamine alkaloid	fungal metabolite; hallucinogen; prodrug; serotonergic agonist	low
neutral red base	aromatic amine; phenazines; primary amino compound; tertiary amino compound	acid-base indicator; dye; two-colour indicator	low
benzydamine	aromatic ether; indazoles; tertiary amino compound	analgesic; central nervous system stimulant; hallucinogen; local anaesthetic; non-steroidal anti-inflammatory drug	low
4-dimethylaminopyridine	dialkylarylamine; tertiary amino compound		low
prothipendyl	aromatic amine; tertiary amino compound		low
dymanthine	tertiary amino compound		low
azaperone	aminopyridine; aromatic ketone; monofluorobenzenes; N-alkylpiperazine; N-arylpiperazine; tertiary amino compound	antipsychotic agent; dopaminergic antagonist	low
glaucine	aporphine alkaloid; organic heterotetracyclic compound; polyether; tertiary amino compound	antibacterial agent; antineoplastic agent; antitussive; muscle relaxant; NF-kappaB inhibitor; plant metabolite; platelet aggregation inhibitor; rat metabolite	low
glyphosphine	glycine derivative; phosphonic acids; tertiary amino compound	plant growth retardant	low
c.i. solvent yellow 56	azobenzenes; substituted aniline; tertiary amino compound	dye; mutagen	low
4-dimethylaminophenol	dialkylarylamine; tertiary amino compound		low
ethyl 4-dimethylaminobenzoate	benzoate ester; ethyl ester; tertiary amino compound		low
mopidamol	dialkylarylamine; tertiary amino compound		low
thenalidine	dialkylarylamine; tertiary amino compound		low
oryzalin	aromatic amine; C-nitro compound; sulfonamide; tertiary amino compound	agrochemical; antimitotic; herbicide	low
pirimicarb	aminopyrimidine; carbamate ester; tertiary amino compound	agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; environmental contaminant; insecticide; xenobiotic	low
dihydro-beta-erythroidine	delta-lactone; organic heterotetracyclic compound; tertiary amino compound	nicotinic antagonist	low
propamocarb	carbamate ester; carbamate fungicide; tertiary amino compound	antifungal agrochemical; environmental contaminant; xenobiotic	low
tridemorph	morpholines; tertiary amino compound	antifungal agrochemical	low
amitraz	formamidines; tertiary amino compound	acaricide; environmental contaminant; insecticide; xenobiotic	low
butaclamol	amino alcohol; organic heteropentacyclic compound; tertiary alcohol; tertiary amino compound	dopaminergic antagonist	low
2-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline	isoquinolinol; tertiary amino compound	human metabolite; neurotoxin; rat metabolite	low
vx	organic thiophosphate; tertiary amino compound	EC 3.1.1.7 (acetylcholinesterase) inhibitor; neurotoxin	low
vindesine	methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; primary carboxamide; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent	low
miglustat	piperidines; tertiary amino compound	anti-HIV agent; EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor	low
loceryl	morpholine antifungal drug; tertiary amino compound	EC 1.14.13.132 (squalene monooxygenase) inhibitor; EC 1.3.1.70 (Delta(14)-sterol reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor	low
mifepristone	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive	low
carmoxirole	indolecarboxylic acid; tertiary amino compound; tetrahydropyridine	antihypertensive agent; dopamine agonist; platelet aggregation inhibitor	low
naxagolide	organic heterotricyclic compound; phenols; tertiary amino compound	anticonvulsant; antiparkinson drug; dopamine agonist	low
temafloxacin	amino acid; monocarboxylic acid; N-arylpiperazine; organofluorine compound; quinolone antibiotic; quinolone; secondary amino compound; tertiary amino compound		low
tiagabine	beta-amino acid; piperidinemonocarboxylic acid; tertiary amino compound; thiophenes	anticonvulsant; GABA reuptake inhibitor	low
eliprodil	monochlorobenzenes; monofluorobenzenes; piperidines; secondary alcohol; tertiary amino compound		low
irinotecan	carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug	low
carfentanil	methyl ester; piperidines; tertiary amino compound; tertiary carboxamide	mu-opioid receptor agonist; opioid analgesic; tranquilizing drug	low
acridine orange	aminoacridines; aromatic amine; tertiary amino compound	fluorochrome; histological dye	low
tenocyclidine	piperidines; tertiary amino compound; thiophenes	central nervous system stimulant; hallucinogen; neuroprotective agent; NMDA receptor antagonist	low
nelfinavir	aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound	antineoplastic agent; HIV protease inhibitor	low
plerixafor	azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound	anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant	low
nile red	aromatic amine; cyclic ketone; organic heterotetracyclic compound; tertiary amino compound	fluorochrome; histological dye	low
cephalotaxine	benzazepine alkaloid fundamental parent; benzazepine alkaloid; cyclic acetal; enol ether; organic heteropentacyclic compound; secondary alcohol; tertiary amino compound		low
d 888	aromatic ether; nitrile; tertiary amino compound	anti-arrhythmia drug; calcium channel blocker; vasodilator agent	low
4-(diethylamino)benzaldehyde	aromatic amine; benzaldehydes; tertiary amino compound	EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor	low
spiramide	aromatic ether; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound	dopaminergic antagonist; serotonergic antagonist	low
propildazine	dialkylarylamine; tertiary amino compound		low
uk 68798	aromatic ether; sulfonamide; tertiary amino compound	anti-arrhythmia drug; potassium channel blocker	low
hp 873	1,2-benzoxazoles; aromatic ether; aromatic ketone; methyl ketone; monoamine; organofluorine compound; piperidines; tertiary amino compound	dopaminergic antagonist; second generation antipsychotic; serotonergic antagonist	low
tubulosine	beta-carbolines; isoquinoline alkaloid; isoquinolines; phenols; secondary amino compound; tertiary amino compound		low
voacamine	alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; plant metabolite	low
dauricine	aromatic ether; bisbenzylisoquinoline alkaloid; isoquinolines; phenols; tertiary amino compound	plant metabolite	low
rivastigmine	carbamate ester; tertiary amino compound	cholinergic drug; EC 3.1.1.8 (cholinesterase) inhibitor; neuroprotective agent	low
dimethylformamide-dimethylacetal	acetal; tertiary amino compound	chromatographic reagent	low
n-(3-(dimethylamino)propyl)methacrylamide	tertiary amino compound		low
n,n-diisopropylethylamine	tertiary amino compound		low
spiroxamine	dioxolane; spiroketal; tertiary amino compound	antifungal agrochemical; environmental contaminant; sterol biosynthesis inhibitor; xenobiotic	low
mor-14	hydroxypiperidine; piperidine alkaloid; tertiary amino compound	anti-HIV agent; cardioprotective agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite	low
triflusulfuron-methyl	1,3,5-triazines; aromatic ether; benzoate ester; methyl ester; N-sulfonylurea; organofluorine compound; tertiary amino compound	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; proherbicide	low
allocryptopine	aromatic ether; cyclic acetal; cyclic ketone; dibenzazecine alkaloid; organic heterotetracyclic compound; tertiary amino compound		low
sporidesmin	aromatic ether; cyclic ketone; diketone; organic disulfide; organic heteropentacyclic compound; organochlorine compound; secondary alcohol; tertiary alcohol; tertiary amino compound	mycotoxin; Wnt signalling activator	low
ecgonine methyl ester	methyl ester; tertiary amino compound; tropane alkaloid	analgesic; central nervous system depressant; metabolite; mouse metabolite; opioid analgesic; peripheral nervous system drug	low
ecteinascidin 743	acetate ester; azaspiro compound; bridged compound; hemiaminal; isoquinoline alkaloid; lactone; organic heteropolycyclic compound; organic sulfide; oxaspiro compound; polyphenol; tertiary amino compound	alkylating agent; angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; marine metabolite	low
aporphine	aporphine alkaloid; isoquinoline alkaloid fundamental parent; tertiary amino compound		low
efonidipine	C-nitro compound; carboxylic ester; dihydropyridine; tertiary amino compound		low
n-(4-(7-diethylamino-4-methylcoumarin-3-yl)phenyl)maleimide	benzenes; coumarins; maleimides; tertiary amino compound	fluorescent dye	low
lofentanil	methyl ester; piperidines; tertiary amino compound; tertiary carboxamide	mu-opioid receptor agonist; opioid analgesic	low
1-(1-(2-benzo(b)thienyl)cyclohexyl)piperidine	1-benzothiophenes; piperidines; tertiary amino compound	dopamine uptake inhibitor	low
desvenlafaxine	cyclohexanols; phenols; tertiary amino compound	antidepressant; drug metabolite; marine xenobiotic metabolite	low
xaliproden	(trifluoromethyl)benzenes; naphthalenes; tertiary amino compound; tetrahydropyridine	serotonergic agonist	low
ulipristal acetate	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester; tertiary amino compound	contraceptive drug; progesterone receptor modulator; progestin	low
sr 57227a	dialkylarylamine; tertiary amino compound		low
ivabradine	aromatic ether; benzazepine; carbobicyclic compound; tertiary amino compound	cardiotonic drug	low
2,8-dinitroimipramine	C-nitro compound; dibenzoazepine; tertiary amino compound		low
sk&f 83959	benzazepine; catechols; organochlorine compound; tertiary amino compound	dopamine agonist	low
corytuberine	aporphine alkaloid; aromatic ether; organic heterotetracyclic compound; polyphenol; tertiary amino compound	plant metabolite	low
5,6-didehydrosparteine	organic heterotetracyclic compound; quinolizidine alkaloid; tertiary amino compound	human xenobiotic metabolite	low
stephenanthrine	cyclic acetal; organic heterotetracyclic compound; tertiary amino compound		low
hydromethylthionine	aromatic amine; phenothiazines; tertiary amino compound	bacterial xenobiotic metabolite; fluorochrome; mouse metabolite; rat metabolite	low
nbi 27914	dialkylarylamine; tertiary amino compound		low
top 53	furonaphthodioxole; gamma-lactone; organic heterotetracyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	low
antalarmin	pyrrolopyrimidine; tertiary amino compound	corticotropin-releasing factor receptor antagonist	low
alpha-putrescinylthymine	N-substituted putrescine; pyrimidine nucleobase; pyrimidone; secondary amino compound; tertiary amino compound		low
dronedarone	1-benzofurans; aromatic ether; aromatic ketone; sulfonamide; tertiary amino compound	anti-arrhythmia drug; environmental contaminant; xenobiotic	low
2-(4-morpholinoanilino)-6-cyclohexylaminopurine	morpholines; purines; secondary amino compound; tertiary amino compound	adenosine A3 receptor antagonist; antineoplastic agent; Aurora kinase inhibitor; cell dedifferentiation agent	low
l 778,123	imidazoles; monochlorobenzenes; nitrile; piperazinone; tertiary amino compound	antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor	low
vincaleukoblastine	acetate ester; indole alkaloid fundamental parent; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; immunosuppressive agent; microtubule-destabilising agent; plant metabolite	low
noscapine	aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound	antineoplastic agent; antitussive; apoptosis inducer; plant metabolite	low
azaleucine	alanine derivative; leucine derivative; non-proteinogenic alpha-amino acid; tertiary amino compound		low
nsc 23766	aminopyrimidine; aminoquinoline; primary amino compound; secondary amino compound; tertiary amino compound	antiviral agent; apoptosis inducer; EC 3.6.5.2 (small monomeric GTPase) inhibitor; muscarinic antagonist	low
gant 61	aminal; dialkylarylamine; pyridines; substituted aniline; tertiary amino compound	antineoplastic agent; apoptosis inducer; glioma-associated oncogene inhibitor; Hedgehog signaling pathway inhibitor	low
conessine	steroid alkaloid; tertiary amino compound	antibacterial agent; antimalarial; H3-receptor antagonist; plant metabolite	low
rocuronium	3alpha-hydroxy steroid; acetate ester; androstane; morpholines; quaternary ammonium ion; tertiary amino compound	drug allergen; muscle relaxant; neuromuscular agent	low
deltaline	acetate ester; cyclic acetal; diterpene alkaloid; organic polycyclic compound; tertiary alcohol; tertiary amino compound		low
oxyacanthine	bisbenzylisoquinoline alkaloid; isoquinolines; macrocycle; phenols; tertiary amino compound		low
ergonovine	ergot alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound; primary alcohol; secondary amino compound; tertiary amino compound	diagnostic agent; fungal metabolite; oxytocic; toxin	low
colforsin daropate	acetate ester; carboxylic ester; cyclic ketone; diol; organic heterotricyclic compound; tertiary amino compound	adenylate cyclase agonist; antihypertensive agent; cardiotonic drug; vasodilator agent	low
cocaine	benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid	adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic	low
afimoxifene	phenols; tertiary amino compound	antineoplastic agent; estrogen receptor antagonist; metabolite	low
efinaconazole	conazole antifungal drug; olefinic compound; organofluorine compound; piperidines; tertiary alcohol; tertiary amino compound; triazole antifungal drug	EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor	low
n-nonyl-1-deoxynojirimycin	hydroxypiperidine; tertiary amino compound	antiviral agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; EC 3.2.1.45 (glucosylceramidase) inhibitor	low
3-(4-chlorophenyl)-6-(1-pyrrolidinyl)-1,2,4,5-tetrazine	dialkylarylamine; tertiary amino compound		low
n-methylproline	L-alpha-amino acid zwitterion; L-proline derivative; tertiary amino compound	human metabolite; plant metabolite	low
5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-amine	dialkylarylamine; tertiary amino compound		low
N4-(2-furanylmethyl)-N2-(3-methylphenyl)-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine	dialkylarylamine; tertiary amino compound		low
7-(2-methyl-2,3-dihydroindol-1-yl)-3-(phenylmethyl)triazolo[4,5-d]pyrimidine	aromatic amine; tertiary amino compound		low
tiamulin	carbotricyclic compound; carboxylic ester; cyclic ketone; organic sulfide; secondary alcohol; semisynthetic derivative; tertiary amino compound; tetracyclic diterpenoid	antibacterial drug	low
2-amino-4-(cyanomethyl)-6-(N-methylanilino)pyridine-3,5-dicarbonitrile	aromatic amine; tertiary amino compound		low
N-[4-(diethylamino)phenyl]-N'-phenylurea	dialkylarylamine; tertiary amino compound		low
4-bromo-2-phenyl-5-(1-piperidinyl)-3-pyridazinone	dialkylarylamine; tertiary amino compound		low
N4,N4-dimethyl-N1-(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)benzene-1,4-diamine	dialkylarylamine; tertiary amino compound		low
4-(2,3-dihydro-1H-indol-1-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine	aromatic amine; tertiary amino compound		low
4-[methyl-(4-thiophen-2-yl-2-thiazolyl)amino]phenol	aromatic amine; tertiary amino compound		low
4-[[4-bromo-5-(4-morpholinyl)-2-furanyl]methylideneamino]phenol	dialkylarylamine; tertiary amino compound		low
4-chloro-5-(dimethylamino)-2-(4-methylphenyl)-3-pyridazinone	dialkylarylamine; tertiary amino compound		low
2-[5-(4-chlorophenyl)-1,3,5-dithiazinan-2-ylidene]-2-diethoxyphosphorylacetonitrile	dialkylarylamine; tertiary amino compound		low
2-[[4-(4-chloroanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol	dialkylarylamine; tertiary amino compound		low
2-chloro-N-[4-(N-propan-2-ylanilino)phenyl]acetamide	aromatic amine; tertiary amino compound		low
tamoxifen	stilbenoid; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator	low
3-(1-pyrrolidinyl)-5-(trifluoromethyl)pyridine-2-carbothioamide	dialkylarylamine; tertiary amino compound		low
wiskostatin	carbazoles; organobromine compound; secondary alcohol; tertiary amino compound		low
2-[[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]thio]acetic acid	dialkylarylamine; tertiary amino compound		low
3-(4-ethyl-1-piperazinyl)-5-methylpyridazino[3,4-b][1,4]benzoxazine	aromatic amine; tertiary amino compound		low
4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine	dialkylarylamine; tertiary amino compound		low
3-[[5,5-dimethyl-3-(4-morpholinyl)-1-cyclohex-2-enylidene]amino]-N,N-dimethylaniline	dialkylarylamine; tertiary amino compound		low
ranitidine	C-nitro compound; furans; organic sulfide; tertiary amino compound	anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic	low
stenusin	piperidine alkaloid; tertiary amino compound		low
dasatinib	1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor	low
noribogaine	monoterpenoid indole alkaloid; organic heteropentacyclic compound; secondary amino compound; tertiary amino compound	kappa-opioid receptor agonist; NMDA receptor antagonist; psychotropic drug; serotonin uptake inhibitor	low
2-[[4-(3-methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol	dialkylarylamine; tertiary amino compound		low
2-(N-ethylanilino)-4-thieno[3,2-d][1,3]thiazinone	aromatic amine; tertiary amino compound		low
N-[3-(N-ethylanilino)propyl]-2,4-dimethyl-6-oxo-3-pyrancarboxamide	dialkylarylamine; tertiary amino compound		low
5-(1-azepanyl)-1,3,4-thiadiazol-2-amine	dialkylarylamine; tertiary amino compound		low
3-(5-chloro-2-methylphenyl)-6-(2,6-dimethyl-4-morpholinyl)-1H-pyrimidine-2,4-dione	dialkylarylamine; tertiary amino compound		low
nafadotride	aromatic ether; naphthalenecarboxamide; nitrile; pyrrolidines; tertiary amino compound	dopaminergic antagonist	low
N4-ethyl-N6,1,2-trimethyl-N4-phenylpyrimidin-1-ium-4,6-diamine	aromatic amine; tertiary amino compound		low
clopidogrel carboxylic acid	monocarboxylic acid; monochlorobenzenes; tertiary amino compound; thienopyridine	drug metabolite; marine xenobiotic metabolite	low
LY-310762	aromatic ketone; monofluorobenzenes; oxindoles; piperidines; tertiary amino compound	receptor modulator; serotonergic antagonist	low
ly 367265	dihydropyridine; fluoroindole; tertiary amino compound; thiadiazoloquinoline	antidepressant; geroprotector; serotonergic antagonist; serotonin uptake inhibitor	low
3-[4-(dimethylamino)phenyl]-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide	dialkylarylamine; tertiary amino compound		low
mycophenolate mofetil	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug	low
cassaine	enoate ester; organic hydroxy compound; tertiary amino compound; tricyclic diterpenoid	antihypertensive agent; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; local anaesthetic; plant metabolite; poison	low
josamycin	acetate ester; aldehyde; disaccharide derivative; glycoside; macrolide antibiotic; tertiary alcohol; tertiary amino compound	antibacterial drug; metabolite	low
acetylspiramycin	acetate ester; aldehyde; disaccharide derivative; ether; macrolide; tertiary amino compound	antibacterial drug; antimicrobial agent; bacterial metabolite	low
n,n-dimethylsphingenine	aminodiol; sphingoid; tertiary amino compound	EC 2.7.1.91 (sphingosine kinase) inhibitor; metabolite	low
alvocidib	dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound	antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
17-(dimethylaminoethylamino)-17-demethoxygeldanamycin	1,4-benzoquinones; ansamycin; carbamate ester; secondary amino compound; tertiary amino compound	Hsp90 inhibitor	low
morphine	morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound	anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic	low
kn 93	monochlorobenzenes; monomethoxybenzene; primary alcohol; sulfonamide; tertiary amino compound	EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor; geroprotector	low
bosutinib	aminoquinoline; aromatic ether; dichlorobenzene; N-methylpiperazine; nitrile; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor	low
su 11652	olefinic compound; organochlorine compound; oxindoles; pyrrolecarboxamide; tertiary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor	low
palbociclib	aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
bedaquiline	aromatic ether; naphthalenes; organobromine compound; quinolines; tertiary alcohol; tertiary amino compound	antitubercular agent; ATP synthase inhibitor	low
catharanthine	alkaloid ester; bridged compound; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound		low
oripavine	ether; morphinane alkaloid; organic heteropentacyclic compound; organic hydroxy compound; tertiary amino compound	bacterial xenobiotic metabolite; opioid analgesic	low
7-hydroxy-2-(n-n-propyl-n-(3-iodo-2'-propenyl)-amino)tetralin	organoiodine compound; phenols; tertiary amino compound; tetralins	dopamine agonist	low
sdz eaa 494	monocarboxylic acid; olefinic compound; phosphonic acids; piperazinecarboxylic acid; tertiary amino compound	anticonvulsant; neuroprotective agent; NMDA receptor antagonist	low
demycarosylturimycin h	aldehyde; disaccharide derivative; ether; macrolide; tertiary amino compound	antibacterial drug; antimicrobial agent; bacterial metabolite	low
ro 25-6981	benzenes; phenols; piperidines; secondary alcohol; tertiary amino compound	anticonvulsant; antidepressant; neuroprotective agent; NMDA receptor antagonist	low
yunaconitine	acetate ester; aromatic ether; benzoate ester; bridged compound; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary alcohol; tertiary amino compound	antifeedant; human urinary metabolite; phytotoxin; plant metabolite; xenobiotic	low
eaa-090	dialkylarylamine; tertiary amino compound		low
prasugrel	acetate ester; cyclopropanes; ketone; monofluorobenzenes; tertiary amino compound; thienopyridine		low
bay 58-2667	aromatic ether; benzoic acids; dicarboxylic acid; tertiary amino compound	antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent	low
muromonab-cd3	alkaloid; macrocycle; organic heteropentacyclic compound; organonitrogen heterocyclic compound; oxacycle; tertiary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; IP3 receptor antagonist; marine metabolite	low
px-866	acetate ester; delta-lactone; organic heterotetracyclic compound; tertiary amino compound	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
pi103	aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor	low
selexipag	aromatic amine; ether; monocarboxylic acid amide; N-sulfonylcarboxamide; pyrazines; tertiary amino compound	orphan drug; platelet aggregation inhibitor; prodrug; prostacyclin receptor agonist; vasodilator agent	low
tofacitinib	N-acylpiperidine; nitrile; pyrrolopyrimidine; tertiary amino compound	antirheumatic drug; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
mre 269	aromatic amine; ether; monocarboxylic acid; pyrazines; sulfonamide; tertiary amino compound	drug metabolite; orphan drug; platelet aggregation inhibitor; prostacyclin receptor agonist; vasodilator agent	low
n,n-dipropyl-2-(4-methoxy-3-(2-phenylethoxy)phenyl)ethylamine monohydrochloride	aromatic ether; hydrochloride; methoxybenzenes; tertiary amino compound	antipsychotic agent; receptor modulator	low
NNC 55-0396 (free base)	benzimidazoles; cyclopropanecarboxylate ester; organofluorine compound; tertiary amino compound; tetralins	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; neuroprotective agent; potassium channel blocker; T-type calcium channel blocker	low
pateamine a	1,3-thiazoles; macrodiolide; olefinic compound; primary amino compound; tertiary amino compound	antineoplastic agent; antiviral agent; eukaryotic initiation factor 4F inhibitor; marine metabolite	low
pimavanserin	aromatic ether; monofluorobenzenes; piperidines; tertiary amino compound; ureas	5-hydroxytryptamine 2A receptor inverse agonist; antipsychotic agent; serotonergic antagonist	low
edoxaban	chloropyridine; monocarboxylic acid amide; tertiary amino compound; thiazolopyridine	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor; platelet aggregation inhibitor	low
akuammicine	methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound	plant metabolite	low
crenolanib	aminopiperidine; aromatic ether; benzimidazoles; oxetanes; quinolines; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
abt-737	aromatic amine; aryl sulfide; biphenyls; C-nitro compound; monochlorobenzenes; N-arylpiperazine; N-sulfonylcarboxamide; secondary amino compound; tertiary amino compound	anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor	low
finafloxacin	cyclopropanes; monocarboxylic acid; nitrile; organofluorine compound; quinolone; secondary amino compound; tertiary amino compound	antibacterial drug; antimicrobial agent	low
sarpagine	indole alkaloid; phenols; primary alcohol; secondary amino compound; tertiary amino compound		low
5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one	alkaloid; chromones; hydroxypiperidine; resorcinols; tertiary amino compound	anti-inflammatory agent; anti-ulcer drug; anticholesteremic drug; antileishmanial agent; antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; fungal metabolite; plant metabolite	low
ku 0063794	benzyl alcohols; monomethoxybenzene; morpholines; pyridopyrimidine; tertiary amino compound	antineoplastic agent; mTOR inhibitor	low
8-{1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one	aromatic ether; coumarins; pyrrolidines; tertiary amino compound		low
flupyradifurone	butenolide; enamine; monochloropyridine; organofluorine insecticide; tertiary amino compound	insecticide; nicotinic acetylcholine receptor agonist	low
alcaftadine	aldehyde; imidazobenzazepine; piperidines; tertiary amino compound	anti-allergic agent; H1-receptor antagonist	low
benzoylaconine	benzoate ester; bridged compound; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary alcohol; tertiary amino compound; tetrol	phytotoxin; plant metabolite	low
deoxyaconitine	acetate ester; benzoate ester; bridged compound; diol; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary amino compound	plant metabolite	low
2-[[4-(4-methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol	dialkylarylamine; tertiary amino compound		low
2-[[4-(2-chloroanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol	dialkylarylamine; tertiary amino compound		low
2-[[4-(2-hydroxyethylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]phenol	dialkylarylamine; tertiary amino compound		low
vindolinine	methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound	plant metabolite	low
tenovin-6	monocarboxylic acid amide; tertiary amino compound; thioureas	antineoplastic agent; p53 activator; Sir2 inhibitor	low
lde225	aminopyridine; aromatic ether; benzamides; biphenyls; morpholines; organofluorine compound; tertiary amino compound	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist	low
benzoylmesaconine	benzoate ester; bridged compound; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary alcohol; tertiary amino compound; tetrol	analgesic; antiinfective agent; plant metabolite	low
navitoclax	aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor	low
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide	aminopyrimidine; benzamides; morpholines; nitrile; secondary amino compound; tertiary amino compound	anti-anaemic agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol	benzyl alcohols; morpholines; pyridopyrimidine; tertiary amino compound	antineoplastic agent; apoptosis inducer; mTOR inhibitor	low
N-[[(2R,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylmethanesulfonamide	dialkylarylamine; tertiary amino compound		low
(2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one	dialkylarylamine; tertiary amino compound		low
N-[[(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N,3,5-trimethyl-4-isoxazolesulfonamide	dialkylarylamine; tertiary amino compound		low
(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one	dialkylarylamine; tertiary amino compound		low
3-cyclohexyl-1-[[(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea	dialkylarylamine; tertiary amino compound		low
1-[[(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea	dialkylarylamine; tertiary amino compound		low
cblc137	aromatic ketone; carbazoles; methyl ketone; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; NF-kappaB inhibitor; p53 activator	low
1-[3-[(5-bromo-2-pyridinyl)-butylamino]propyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea	dialkylarylamine; tertiary amino compound		low
lrrk2-in1	aromatic amine; aromatic ether; N-acylpiperidine; N-alkylpiperazine; pyrimidobenzodiazepine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
tubastatin a	hydroxamic acid; pyridoindole; tertiary amino compound	EC 3.5.1.98 (histone deacetylase) inhibitor	low
pracinostat	benzimidazole; hydroxamic acid; olefinic compound; tertiary amino compound	antimalarial; antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor	low
delgocitinib	azaspiro compound; N-acylazetidine; nitrile; pyrrolopyrimidine; tertiary amino compound; tertiary carboxamide	anti-inflammatory drug; antipsoriatic; antiseborrheic; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
pf 956980	N-acylpiperidine; N-acylpyrrolidine; pyrrolopyrimidine; tertiary amino compound	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
AZD3463	aminopiperidine; aminopyrimidine; indoles; monomethoxybenzene; organochlorine compound; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
gsk2879552	benzenes; benzoic acids; cyclopropanes; monocarboxylic acid; piperidines; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor	low
as 1842856	organofluorine compound; primary amino compound; quinolinemonocarboxylic acid; quinolone; secondary amino compound; tertiary amino compound	anti-obesity agent; antineoplastic agent; apoptosis inducer; autophagy inhibitor; forkhead box protein O1 inhibitor; hypoglycemic agent	low
MLI-2	aromatic ether; cyclopropanes; indazoles; morpholines; pyrimidines; tertiary amino compound	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
ap20187	aromatic ether; carboxylic ester; N-acylpiperidine; tertiary amino compound	ligand	low
BDA-366	anthraquinone; epoxide; secondary alcohol; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer	low
5-(2-chloro-6-fluorobenzyl)-6-methyl-2-morpholinopyrimidin-4-ol	dialkylarylamine; tertiary amino compound		low
2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile	hydroxyindoles; morpholines; nitrile; pyridines; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; tau aggregation inhibitor	low
sb-590885	aromatic ether; imidazoles; ketoxime; pyridines; tertiary amino compound		low
sotorasib	acrylamides; methylpyridines; monofluorobenzenes; N-acylpiperazine; phenols; pyridopyrimidine; tertiary amino compound; tertiary carboxamide	antineoplastic agent	low
bupropion	aromatic ketone; monochlorobenzenes; secondary amino compound	antidepressant; environmental contaminant; xenobiotic	low
sk&f-38393	benzazepine; catechols; secondary amino compound		low
monomethylpropion	aromatic ketone; secondary amino compound		low
acebutolol	aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent	low
albuterol	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic	low
alminoprofen	amino acid; monocarboxylic acid; secondary amino compound; substituted aniline	antipyretic; antirheumatic drug; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
alprenolol	secondary alcohol; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent	low
benzylhydrochlorothiazide	benzenes; benzothiadiazine; organochlorine compound; secondary amino compound; sulfonamide		low
betahistine	aminoalkylpyridine; secondary amino compound	H1-receptor agonist; vasodilator agent	low
carvedilol	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent	low
cgp 12177	aromatic ether; benzimidazoles; secondary alcohol; secondary amino compound	beta-adrenergic antagonist	low
clenbuterol	amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent	low
clorprenaline	ethanolamines; monochlorobenzenes; secondary amino compound		low
desipramine	dibenzoazepine; secondary amino compound	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor	low
diclofenac	amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic	low
fenfluramine	(trifluoromethyl)benzenes; secondary amino compound	appetite depressant; serotonergic agonist; serotonin uptake inhibitor	low
berotek	resorcinols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent	low
fluoxetine	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound		low
formoterol fumarate	formamides; phenols; phenylethanolamines; secondary alcohol; secondary amino compound		low
glafenine	aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound	inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
guazatine	aliphatic nitrogen antifungal agent; guanidines; secondary amino compound	antifungal agrochemical	low
guvacine	alpha,beta-unsaturated monocarboxylic acid; beta-amino acid; pyridine alkaloid; secondary amino compound; tetrahydropyridine	GABA reuptake inhibitor; plant metabolite	low
N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide	bromobenzenes; isoquinolines; olefinic compound; secondary amino compound; sulfonamide	EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor	low
isoproterenol	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent	low
ketamine	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic	low
labetalol	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound		low
meclofenamic acid	aminobenzoic acid; organochlorine compound; secondary amino compound	analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug	low
mefenamic acid	aminobenzoic acid; secondary amino compound	analgesic; antipyretic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic	low
metaproterenol	aralkylamino compound; phenylethanolamines; resorcinols; secondary alcohol; secondary amino compound		low
metoprolol	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic	low
n(1), n(12)-diethylspermine	polyazaalkane; secondary amino compound; substituted spermine; tetramine	antineoplastic agent	low
fenamic acid	aminobenzoic acid; secondary amino compound	membrane transport modulator	low
nisoxetine	aromatic ether; secondary amino compound	adrenergic uptake inhibitor; antidepressant	low
oxamniquine	aromatic primary alcohol; C-nitro compound; quinolines; secondary amino compound		low
pd 158780	aromatic amine; bromobenzenes; diamine; pyridopyrimidine; secondary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
practolol	acetamides; ethanolamines; propanolamine; secondary alcohol; secondary amino compound	anti-arrhythmia drug; beta-adrenergic antagonist	low
propafenone	aromatic ketone; secondary alcohol; secondary amino compound	anti-arrhythmia drug	low
salmeterol xinafoate	ether; phenols; primary alcohol; secondary alcohol; secondary amino compound		low
sotalol	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic	low
tetrahydropapaverine	aromatic ether; benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; polyether; secondary amino compound		low
wb 4101	aromatic ether; benzodioxine; secondary amino compound	alpha-adrenergic antagonist	low
xylazine	1,3-thiazine; methylbenzene; secondary amino compound	alpha-adrenergic agonist; analgesic; emetic; muscle relaxant; sedative	low
phenylephrine	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent	low
n,n'-diphenyl-4-phenylenediamine	N-substituted diamine; secondary amino compound	antioxidant	low
methyl n-methylanthranilate	benzoate ester; methyl ester; secondary amino compound; substituted aniline	animal metabolite; fungal metabolite; plant metabolite	low
pseudoephedrine	phenylethanolamines; secondary alcohol; secondary amino compound	anti-asthmatic drug; bronchodilator agent; central nervous system drug; nasal decongestant; plant metabolite; sympathomimetic agent; vasoconstrictor agent; xenobiotic	low
dyrene	monochlorobenzenes; organochlorine pesticide; secondary amino compound; triazines	antifungal agrochemical	low
propylhexedrine	secondary amino compound		low
4-aminodiphenylamine	aromatic amine; secondary amino compound	allergen	low
cyclopentamine	secondary amino compound		low
benzonatate	benzoate ester; secondary amino compound; substituted aniline	anaesthetic; antitussive	low
diisopropanolamine	aminodiol; secondary alcohol; secondary amino compound	buffer; emulsifier; surfactant	low
meglumine	hexosamine; secondary amino compound		low
cytisine	alkaloid; bridged compound; lactam; organic heterotricyclic compound; secondary amino compound	nicotinic acetylcholine receptor agonist; phytotoxin; plant metabolite	low
octamylamine	secondary amino compound		low
noramidopyrine	pyrazoles; secondary amino compound	antipyretic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; opioid analgesic; peripheral nervous system drug	low
diphenylamine	aromatic amine; bridged diphenyl fungicide; secondary amino compound	antifungal agrochemical; antioxidant; carotogenesis inhibitor; EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor; ferroptosis inhibitor; radical scavenger	low
spectinomycin	cyclic acetal; cyclic hemiketal; cyclic ketone; pyranobenzodioxin; secondary alcohol; secondary amino compound	antibacterial drug; antimicrobial agent; bacterial metabolite	low
isometheptene	secondary amino compound		low
n-methylaspartate	amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound	neurotransmitter agent	low
colterol	catechols; ethanolamines; secondary alcohol; secondary amino compound; triol	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent	low
acridine half-mustard	aminoacridines; aromatic ether; organochlorine compound; secondary amino compound	mutagen	low
metipranolol	acetate ester; aromatic ether; propanolamine; secondary amino compound	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist	low
du-21220	benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound		low
amoscanate	C-nitro compound; isothiocyanate; secondary amino compound	schistosomicide drug	low
norflurazone	(trifluoromethyl)benzenes; organochlorine compound; pyridazinone; secondary amino compound	agrochemical; carotenoid biosynthesis inhibitor; herbicide	low
amineptin	amino acid; carbocyclic fatty acid; carbotricyclic compound; secondary amino compound	antidepressant; dopamine uptake inhibitor	low
bitolterol	carboxylic ester; diester; ethanolamines; secondary alcohol; secondary amino compound	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; prodrug	low
pendimethalin	C-nitro compound; secondary amino compound; substituted aniline	agrochemical; environmental contaminant; herbicide	low
bupirimate	aminopyrimidine; pyrimidine fungicide; secondary amino compound; sulfamate ester	androgen antagonist; antifungal agrochemical	low
torsemide	aminopyridine; N-sulfonylurea; secondary amino compound	antihypertensive agent; loop diuretic	low
bopindolol	aromatic ether; benzoate ester; methylindole; secondary amino compound		low
atomoxetine	aromatic ether; secondary amino compound; toluenes	adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic	low
ractopamine	benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound		low
esmolol	aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound		low
sertraline	dichlorobenzene; secondary amino compound; tetralins	antidepressant; serotonin uptake inhibitor	low
nebivolol	chromanes; diol; organofluorine compound; secondary alcohol; secondary amino compound		low
aceclofenac	amino acid; carboxylic ester; dichlorobenzene; monocarboxylic acid; secondary amino compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
2-(methylamino)isobutyric acid	alanine derivative; alpha-amino acid zwitterion; non-proteinogenic alpha-amino acid; secondary amino compound	human urinary metabolite	low
caldopentamine	polyazaalkane; primary amino compound; secondary amino compound	marine metabolite	low
mepanipyrim	acetylenic compound; aminopyrimidine; anilinopyrimidine fungicide; secondary amino compound	antifungal agrochemical; aryl hydrocarbon receptor agonist; hepatotoxic agent	low
cyprodinil	aminopyrimidine; anilinopyrimidine fungicide; cyclopropanes; secondary amino compound	antifungal agrochemical; aryl hydrocarbon receptor agonist; environmental contaminant; xenobiotic	low
pyrimethanil	aminopyrimidine; anilinopyrimidine fungicide; secondary amino compound	antifungal agrochemical; aryl hydrocarbon receptor agonist; environmental contaminant; xenobiotic	low
fluazinam	(trifluoromethyl)benzenes; aminopyridine; C-nitro compound; chloropyridine; monochlorobenzenes; secondary amino compound	allergen; antifungal agrochemical; apoptosis inducer; environmental contaminant; xenobiotic	low
2-(3,4-dimethoxyphenyl)-5-amino-2-isopropylvaleronitrile	dimethoxybenzene; nitrile; secondary amino compound	drug metabolite; marine xenobiotic metabolite	low
phenylisopropyladenosine	aromatic amine; benzenes; hydrocarbyladenosine; purine nucleoside; secondary amino compound	adenosine A1 receptor agonist; neuroprotective agent	low
p-methoxy-n-methylphenethylamine	aromatic ether; secondary amino compound	metabolite	low
norverapamil	aromatic ether; nitrile; polyether; secondary amino compound		low
3,4-methylenedioxyethamphetamine	benzodioxoles; secondary amino compound		low
beta-n-methylamino-l-alanine	diamino acid; L-alanine derivative; non-proteinogenic L-alpha-amino acid; secondary amino compound	bacterial metabolite; neurotoxin	low
nopaline	amino acid opine; D-glutamic acid derivative; guanidines; L-arginine derivative; secondary amino compound; tricarboxylic acid		low
octopine	amino acid opine; amino dicarboxylic acid; D-alpha-amino acid zwitterion; D-arginine derivative; guanidines; secondary amino compound	animal metabolite; xenobiotic metabolite	low
tafenoquine	(trifluoromethyl)benzenes; aminoquinoline; aromatic ether; primary amino compound; secondary amino compound		low
4'-hydroxydiclofenac	dichlorobenzene; monocarboxylic acid; phenols; secondary amino compound	allergen; drug metabolite	low
ym 12617	aromatic ether; secondary amino compound; sulfonamide		low
mannopine	amino acid opine; dicarboxylic acid monoamide; hexitol derivative; L-glutamine derivative; non-proteinogenic L-alpha-amino acid; secondary amino compound	plant metabolite	low
ezogabine	carbamate ester; organofluorine compound; secondary amino compound; substituted aniline	anticonvulsant; potassium channel modulator	low
aj 76	secondary amino compound; tetralins	dopaminergic antagonist	low
nsc 224070	1,4-benzoquinones; aziridines; enamine; primary alcohol; secondary amino compound	alkylating agent; antineoplastic agent	low
als 8123	carboxylic acid; ethanolamines; secondary amino compound		low
7-nitrobenzoxadiazole-6-aminohexanoic acid	benzoxadiazole; C-nitro compound; epsilon-amino acid; secondary amino compound	fluorochrome	low
5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane	secondary amino compound		low
cox 189	amino acid; monocarboxylic acid; organochlorine compound; organofluorine compound; secondary amino compound	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug	low
vatalanib	monochlorobenzenes; phthalazines; pyridines; secondary amino compound	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist	low
cinacalcet	(trifluoromethyl)benzenes; naphthalenes; secondary amino compound	calcimimetic; P450 inhibitor	low
guvacoline	alpha,beta-unsaturated carboxylic ester; beta-amino acid ester; enoate ester; methyl ester; pyridine alkaloid; secondary amino compound; tetrahydropyridine	muscarinic agonist; plant metabolite	low
actinodaphine	aporphine alkaloid; aromatic ether; organic heteropentacyclic compound; phenols; secondary amino compound	antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; plant metabolite; platelet aggregation inhibitor; topoisomerase inhibitor	low
baeocystin	organic phosphate; secondary amino compound; tryptamine alkaloid	fungal metabolite; hallucinogen	low
dizocilpine	secondary amino compound; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist	low
melagatran	azetidines; carboxamidine; dicarboxylic acid monoamide; non-proteinogenic alpha-amino acid; secondary amino compound	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; serine protease inhibitor	low
demecolcine	alkaloid; secondary amino compound	antineoplastic agent; microtubule-destabilising agent	low
norbelladine	catechols; phenethylamine alkaloid; polyphenol; secondary amino compound	plant metabolite	low
e 3040	benzothiazoles; organic hydroxy compound; pyridines; secondary amino compound	anti-inflammatory drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; uricosuric drug	low
E3040 glucuronide	benzothiazoles; beta-D-glucosiduronic acid; pyridines; secondary amino compound	xenobiotic metabolite	low
validamycin a	antibiotic fungicide; polyol; secondary amino compound; validamycins	antifungal agrochemical; EC 2.4.1.231 [alpha,alpha-trehalose phosphorylase (configuration-retaining)] inhibitor; EC 2.4.1.64 (alpha,alpha-trehalose phosphorylase) inhibitor; EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor	low
1-[4-carboxy-2-(3-pentylamino)phenyl]-5,5-bis(hydroxymethyl)pyrrolidin-2-one	benzoic acids; primary alcohol; pyrrolidin-2-ones; secondary amino compound		low
tolfenamic acid	aminobenzoic acid; organochlorine compound; secondary amino compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; EC 2.7.1.33 (pantothenate kinase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
loline	loline alkaloid; secondary amino compound		low
amn082	benzenes; diamine; diarylmethane; secondary amino compound	metabotropic glutamate receptor agonist; neuroprotective agent	low
spiraprilat	azaspiro compound; dicarboxylic acid; dipeptide; dithioketal; pyrrolidinecarboxylic acid; secondary amino compound; tertiary carboxamide	antihypertensive agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor	low
5-hydroxydiclofenac	dichlorobenzene; monocarboxylic acid; phenols; secondary amino compound	allergen; drug metabolite	low
6,8-difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline	organic heterotricyclic compound; organofluorine compound; pyridines; secondary amino compound		low
n,o-didesmethylvenlafaxine	cyclohexanols; phenols; secondary amino compound	drug metabolite; marine xenobiotic metabolite	low
n-desmethylvenlafaxine	cyclohexanols; monomethoxybenzene; secondary amino compound	drug metabolite; marine xenobiotic metabolite	low
sb 415286	C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline	antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent	low
chanoclavine	benzoindole; ergot alkaloid; organic heterotricyclic compound; primary alcohol; secondary amino compound		low
pibutidine	aromatic ether; cyclobutenones; olefinic compound; piperidines; primary amino compound; pyridines; secondary amino compound	anti-ulcer drug; H2-receptor antagonist	low
purmorphamine	aromatic ether; morpholines; purines; secondary amino compound	osteogenesis regulator; SMO receptor agonist	low
spirapril	azaspiro compound; dicarboxylic acid monoester; dipeptide; dithioketal; ethyl ester; pyrrolidinecarboxylic acid; secondary amino compound; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug	low
trandolaprilat	dicarboxylic acid; dipeptide; organic heterobicyclic compound; secondary amino compound; tertiary carboxamide	antihypertensive agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; human xenobiotic metabolite	low
amocarzine	C-nitro compound; N-methylpiperazine; secondary amino compound; thioureas	antinematodal drug	low
imidapril	dicarboxylic acid monoester; dipeptide; ethyl ester; imidazolidines; N-acylurea; secondary amino compound	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug	low
imidaprilat	dicarboxylic acid; dipeptide; imidazolidines; N-acylurea; secondary amino compound	antihypertensive agent; drug metabolite; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor	low
ici 118551	aromatic ether; indanes; secondary alcohol; secondary amino compound	beta-adrenergic antagonist	low
trandolapril	dicarboxylic acid monoester; dipeptide; ethyl ester; organic heterobicyclic compound; secondary amino compound; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug	low
robenacoxib	aromatic amino acid; monocarboxylic acid; organofluorine compound; phenylacetic acids; secondary amino compound	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
tanespimycin	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound; secondary amino compound	antineoplastic agent; apoptosis inducer; Hsp90 inhibitor	low
indacaterol	indanes; monohydroxyquinoline; quinolone; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent	low
panobinostat	cinnamamides; hydroxamic acid; methylindole; secondary amino compound	angiogenesis modulating agent; antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor	low
bis(7)-tacrine	secondary amino compound	apoptosis inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; neuroprotective agent	low
r 115866	aromatic amine; benzothiazoles; secondary amino compound; triazoles		low
pd 0325901	difluorobenzene; hydroxamic acid ester; monofluorobenzenes; organoiodine compound; propane-1,2-diols; secondary amino compound	antineoplastic agent; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor	low
dysiherbaine	amino dicarboxylic acid; furopyran; hydroxy carboxylic acid; secondary amino compound	animal metabolite; excitatory amino acid agonist; marine metabolite; neurotoxin	low
cangrelor	adenosine 5'-phosphate; aryl sulfide; nucleoside triphosphate analogue; organochlorine compound; organofluorine compound; secondary amino compound	P2Y12 receptor antagonist; platelet aggregation inhibitor	low
ticagrelor	aryl sulfide; hydroxyether; organofluorine compound; secondary amino compound; triazolopyrimidines	P2Y12 receptor antagonist; platelet aggregation inhibitor	low
solabegron	carboxybiphenyl; monochlorobenzenes; secondary alcohol; secondary amino compound; substituted aniline	beta-adrenergic agonist	low
rucaparib	azepinoindole; caprolactams; organofluorine compound; secondary amino compound	antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	low
chir 99021	aminopyridine; aminopyrimidine; cyanopyridine; diamine; dichlorobenzene; imidazoles; secondary amino compound	EC 2.7.11.26 (tau-protein kinase) inhibitor	low
sch 51344	aromatic amine; aromatic ether; primary alcohol; pyrazoloquinoline; secondary amino compound	antineoplastic agent	low
azd 6244	benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
vilanterol	benzyl alcohols; dichlorobenzene; ether; phenols; secondary amino compound	beta-adrenergic agonist; bronchodilator agent	low
binimetinib	benzimidazoles; bromobenzenes; hydroxamic acid ester; monofluorobenzenes; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
3-epi-fagomine	amino monosaccharide; hydroxypiperidine; primary alcohol; secondary alcohol; secondary amino compound; triol	EC 3.2.1.10 (oligo-1,6-glucosidase) inhibitor; EC 3.2.1.23 (beta-galactosidase) inhibitor; plant metabolite	low
ethaboxam	1,3-thiazoles; aromatic amide; aromatic amine; nitrile; secondary amino compound; thiophenes		low
validoxylamine a	amino cyclitol; secondary amino compound	animal metabolite; antibiotic insecticide; bacterial metabolite; EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor	low
ceratamine a	alkaloid; aromatic ether; cyclic ketone; organic heterobicyclic compound; organobromine compound; secondary amino compound; tertiary amine	antimitotic; metabolite	low
bay94 9172	(18)F radiopharmaceutical; aromatic ether; polyether; secondary amino compound; stilbenoid; substituted aniline	radioactive imaging agent	low
olodaterol	aromatic ether; benzoxazine; phenols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent	low
vizamyl	(18)F radiopharmaceutical; aromatic amine; benzothiazoles; secondary amino compound	radioactive imaging agent	low
pamapimod	aromatic amine; aromatic ether; difluorobenzene; diol; primary alcohol; pyridopyrimidine; secondary amino compound	antirheumatic drug; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
gdc-0973	aromatic amine; difluorobenzene; N-acylazetidine; organoiodine compound; piperidines; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
pevonedistat	cyclopentanols; indanes; pyrrolopyrimidine; secondary amino compound; sulfamidate	antineoplastic agent; apoptosis inducer	low
tg101209	N-alkylpiperazine; N-arylpiperazine; pyrimidines; secondary amino compound; sulfonamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
WAY-316606	(trifluoromethyl)benzenes; piperidines; secondary amino compound; sulfonamide; sulfone	secreted frizzled-related protein 1 inhibitor	low
asp3026	aromatic amine; diamino-1,3,5-triazine; monomethoxybenzene; N-methylpiperazine; piperidines; secondary amino compound; sulfone	antimalarial; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 6.1.1.6 (lysine--tRNA ligase) inhibitor	low
pexidartinib	aminopyridine; organochlorine compound; organofluorine compound; pyrrolopyridine; secondary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
(R)-DRF053	2,6-diaminopurines; phenylpyridine; primary alcohol; secondary amino compound	EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
GDC-0623	hydroxamic acid ester; imidazopyridine; monofluorobenzenes; organoiodine compound; primary alcohol; secondary amino compound; substituted aniline	antineoplastic agent; apoptosis inducer; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor	low
mephedrone	amphetamines; aromatic ketone; secondary amino compound	environmental contaminant; xenobiotic	low
ml228 probe	1,2,4-triazines; biphenyls; pyridines; secondary amino compound	hypoxia-inducible factor pathway activator	low
gilteritinib	aromatic amine; monomethoxybenzene; N-methylpiperazine; oxanes; piperidines; primary carboxamide; pyrazines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
chir 98014	aminopyrimidine; C-nitro compound; diaminopyridine; dichlorobenzene; imidazoles; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; hypoglycemic agent; tau aggregation inhibitor; Wnt signalling activator	low
ceritinib	aminopyrimidine; aromatic ether; organochlorine compound; piperidines; secondary amino compound; sulfone	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
HG-10-102-01	aminopyrimidine; aromatic ether; monocarboxylic acid amide; morpholines; organochlorine compound; secondary amino compound	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
ML355	benzothiazoles; monomethoxybenzene; phenols; secondary amino compound; substituted aniline; sulfonamide	EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; platelet aggregation inhibitor	low
ly3009120	aminotoluene; aromatic amine; biaryl; monofluorobenzenes; phenylureas; pyridopyrimidine; secondary amino compound	antineoplastic agent; apoptosis inducer; autophagy inducer; B-Raf inhibitor; necroptosis inhibitor	low
ldc4297	aromatic ether; piperidines; pyrazoles; pyrazolotriazine; secondary amino compound	antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
hg-9-91-01	aminopyrimidine; dimethoxybenzene; N-alkylpiperazine; N-arylpiperazine; phenylureas; secondary amino compound	antineoplastic agent; salt-inducible kinase 2 inhibitor	low
praliciguat	aminopyrimidine; isoxazoles; monofluorobenzenes; organofluorine compound; pyrazoles; secondary amino compound; tertiary alcohol	anti-inflammatory agent; antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent	low
chrysopine	amino acid opine; carboxamide; delta-lactone; secondary amino compound; spiroketal; triol	plant metabolite	low
enasidenib	1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor	low
indolmycin	1,3-oxazoles; indoles; secondary amino compound	antibacterial agent; antimicrobial agent; bacterial metabolite; EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor	low
ethirimol	aminopyrimidine; pyrimidine fungicide; pyrimidone; secondary amino compound	antifungal agrochemical	low
liproxstatin-1	azaspiro compound; monochlorobenzenes; organic heterotricyclic compound; secondary amino compound	antioxidant; cardioprotective agent; ferroptosis inhibitor; radical scavenger	low
am 251	amidopiperidine; carbohydrazide; dichlorobenzene; organoiodine compound; pyrazoles	antidepressant; antineoplastic agent; apoptosis inducer; CB1 receptor antagonist	low
celecoxib	organofluorine compound; pyrazoles; sulfonamide; toluenes	cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
dipyrone	amino sulfonic acid; pyrazoles	anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug	low
famprofazone	pyrazoles; ring assembly		low
fipronil	(trifluoromethyl)benzenes; dichlorobenzene; nitrile; primary amino compound; pyrazoles; sulfoxide		low
fomepizole	pyrazoles	antidote; EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; protective agent	low
nifenazone	pyrazoles; ring assembly		low
1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine	pyrazoles; ring assembly		low
ramifenazone	pyrazoles; ring assembly		low
sulfaphenazole	primary amino compound; pyrazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial drug; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor; P450 inhibitor	low
betazole	primary amino compound; pyrazoles	diagnostic agent; gastrointestinal drug; histamine agonist	low
5-methylpyrazole-3-carboxylic acid	monocarboxylic acid; pyrazoles	metabolite	low
difenzoquat	pyrazoles; ring assembly		low
metazachlor	aromatic amide; organochlorine compound; pyrazoles	environmental contaminant; herbicide; xenobiotic	low
tepoxalin	aromatic ether; hydroxamic acid; monochlorobenzenes; pyrazoles	antipyretic; apoptosis inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; immunomodulator; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
n-acetylaminoantipyrine	acetamides; pyrazoles	drug metabolite; marine xenobiotic metabolite	low
lonazolac	monocarboxylic acid; monochlorobenzenes; pyrazoles	antineoplastic agent; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
n-demethylantipyrine	pyrazoles; ring assembly		low
4-Formyl-antipyrine	pyrazoles; ring assembly		low
4-iodopyrazole	organoiodine compound; pyrazoles		low
5-amino-1-phenyl-1H-pyrazole-4-carbonitrile	pyrazoles; ring assembly		low
ethyl 5-(4,6-dimethoxypyrimidin-2-ylcarbamoylsulfamoyl)-1-methylpyrazole-4-carboxylate	pyrazoles		low
halosulfuron methyl	pyrazoles		low
pyraclofos	monochlorobenzenes; organic thiophosphate; organochlorine insecticide; organosulfur compound; organothiophosphate insecticide; pyrazoles	agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor	low
benzpiperylone	pyrazoles; ring assembly		low
4-hydroxyantipyrine	pyrazoles; ring assembly		low
sr141716	amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles	anti-obesity agent; appetite depressant; CB1 receptor antagonist	low
sc 58125	organofluorine compound; pyrazoles; sulfone	antineoplastic agent; cyclooxygenase 2 inhibitor	low
3-phenyl-1H-pyrazole-5-carboxylic acid	pyrazoles; ring assembly		low
birb 796	aromatic ether; morpholines; naphthalenes; pyrazoles; ureas	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; immunomodulator	low
cgs 20625	pyrazoles; ring assembly		low
chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 3	pyrazoles; ring assembly		low
N-tert-butyl-6-ethyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine	pyrazoles; ring assembly		low
4-methyl-7-phenyl-3-pyrazolo[5,1-c][1,2,4]triazinecarboxylic acid ethyl ester	pyrazoles; ring assembly		low
4-amino-2,6-dimethyl-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-3-pyridazinone	pyrazoles; ring assembly		low
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea	monochlorobenzenes; phenylureas; pyrazoles	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
hts 466284	pyrazoles; pyridines; quinolines	TGFbeta receptor antagonist	low
1-phenyl-4-pyrazolol	pyrazoles; ring assembly		low
3-pentyl-4,5,6,7-tetrahydro-1H-indazole	pyrazoles		low
7-amino-2-methyl-3-phenyl-6-pyrazolo[1,5-a]pyrimidinecarbonitrile	pyrazoles; ring assembly		low
4-[2-(3-fluorophenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]morpholine	pyrazoles; ring assembly		low
4-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine	pyrazoles; ring assembly		low
2-[[2-(4-methoxyphenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]amino]ethanol	pyrazoles; ring assembly		low
4-[3-(4-fluorophenyl)-2,5,6-trimethyl-7-pyrazolo[1,5-a]pyrimidinyl]morpholine	pyrazoles; ring assembly		low
2-[2-[[2-[[1-(4-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-oxoethyl]amino]-4-thiazolyl]acetic acid ethyl ester	pyrazoles; ring assembly		low
LSM-34623	pyrazoles; ring assembly		low
5-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid	pyrazoles		low
2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetic acid ethyl ester	pyrazoles; ring assembly		low
2-[(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)-(3-thiophenyl)methyl]propanedinitrile	pyrazoles; ring assembly		low
N-[2-(1-cyclohexenyl)ethyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine	pyrazoles; ring assembly		low
N-(2-oxolanylmethyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine	pyrazoles; ring assembly		low
1-phenyl-N-(3-propan-2-yloxypropyl)-4-pyrazolo[3,4-d]pyrimidinamine	pyrazoles; ring assembly		low
2-[2-[[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]ethoxy]ethanol	pyrazoles; ring assembly		low
1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-pyrazolo[3,4-d]pyrimidinamine	pyrazoles; ring assembly		low
1-[1-(4-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-4-piperidinecarboxamide	pyrazoles; ring assembly		low
2-[2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]ethoxy]ethanol	pyrazoles; ring assembly		low
LSM-17424	pyrazoles; ring assembly		low
LSM-19719	pyrazoles; ring assembly		low
LSM-28231	pyrazoles; ring assembly		low
2,6-dimethyl-4-(1-phenyl-4-pyrazolyl)furo[2,3-d]pyrimidine	pyrazoles; ring assembly		low
Glyceryl lactopalmitate	pyrazoles; ring assembly		low
2-[(2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile	pyrazoles; ring assembly		low
7-(3,5-dimethyl-1-pyrazolyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine	pyrazoles; ring assembly		low
6-amino-1-(4-fluorophenyl)-3-methyl-4-thiophen-2-yl-5-pyrazolo[3,4-b]pyridinecarbonitrile	pyrazoles; ring assembly		low
4-(3,4-dimethoxyphenyl)-3-methyl-1H-pyrazol-5-amine	pyrazoles; ring assembly		low
2-(4-bromophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine	pyrazoles; ring assembly		low
2-(4-bromophenyl)-4-methyl-1H-pyrazol-5-one	pyrazoles; ring assembly		low
1-(3-methylphenyl)-N-(2-pyridinylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine	pyrazoles; ring assembly		low
1,3-diphenyl-4-pyrazolecarbonitrile	pyrazoles; ring assembly		low
N-tert-butyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine	pyrazoles; ring assembly		low
5-(4-cyclohexylphenyl)-1,2-dihydropyrazol-3-one	pyrazoles; ring assembly		low
2-(3-oxo-2-phenyl-1H-pyrazol-5-yl)acetic acid methyl ester	pyrazoles; ring assembly		low
4-hydroxy-1-(4-methylphenyl)-3-pyrazolecarboxylic acid ethyl ester	pyrazoles; ring assembly		low
1-(4-fluorophenyl)-4-hydroxy-3-pyrazolecarboxylic acid ethyl ester	pyrazoles; ring assembly		low
4-(3,5-dimethyl-1-pyrazolyl)-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidine	pyrazoles; ring assembly		low
5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine	pyrazoles; ring assembly		low
5-(methoxymethyl)-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one	pyrazoles; ring assembly		low
3-(4-chlorophenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one	pyrazoles; ring assembly		low
2-(5,7-dimethyl-3-phenyl-6-pyrazolo[1,5-a]pyrimidinyl)acetic acid ethyl ester	pyrazoles; ring assembly		low
5,7-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine	pyrazoles; ring assembly		low
(3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)-(3-methyl-1-pyrazolyl)methanone	pyrazoles; ring assembly		low
3-(4-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide	pyrazoles; ring assembly		low
3-[2-(4-fluorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid ethyl ester	pyrazoles; ring assembly		low
3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide	pyrazoles; ring assembly		low
3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one	pyrazoles; ring assembly		low
7,8-dimethoxy-5-methyl-3-phenylpyrazolo[3,4-c]isoquinoline	pyrazoles; ring assembly		low
7,8-dimethoxy-1,5-dimethyl-3-phenylpyrazolo[3,4-c]isoquinoline	pyrazoles; ring assembly		low
N-(cyclopentylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide	aromatic amide; pyrazoles		low
4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-1H-pyrazol-3-one	pyrazoles; ring assembly		low
N-(4,5-dihydrothiazol-2-yl)-1-ethyl-3-pyrazolecarboxamide	aromatic amide; pyrazoles		low
1-[[(1,3-dimethyl-4-pyrazolyl)-oxomethyl]amino]-3-(4-methylphenyl)thiourea	aromatic amide; pyrazoles		low
5-methyl-1-phenyl-4-pyrazolecarboxylic acid (4-methoxyphenyl) ester	pyrazoles; ring assembly		low
5-(4-methylphenyl)-2-phenyl-3-pyrazolamine	pyrazoles; ring assembly		low
N-(4-fluorophenyl)-1-(3-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinamine	pyrazoles; ring assembly		low
4-methoxy-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]phenol	pyrazoles; ring assembly		low
5-amino-3-ethyl-1-phenyl-4-pyrazolecarbonitrile	pyrazoles; ring assembly		low
1-(4-methylphenyl)sulfonyl-4-phenyl-3-pyrazolamine	pyrazoles; ring assembly		low
LSM-16463	pyrazoles; ring assembly		low
N-cyclopropyl-3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide	pyrazoles; ring assembly		low
7-amino-2-(4-tert-butylphenyl)-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester	pyrazoles; ring assembly		low
cct018159	benzodioxine; pyrazoles; resorcinols	antineoplastic agent; apoptosis inducer; Hsp90 inhibitor	low
2-(4-ethoxyphenyl)-3,4-dimethyl-7-[2-(1-pyrrolidinyl)ethylthio]pyrazolo[3,4-d]pyridazine	pyrazoles; ring assembly		low
8-[1-(3-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-1,4-dioxa-8-azaspiro[4.5]decane	pyrazoles; ring assembly		low
3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one	pyrazoles; ring assembly		low
2,5-dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinamine	pyrazoles; ring assembly		low
3-methyl-N'-(1-oxo-2-phenoxyethyl)-1-phenyl-5-thieno[2,3-c]pyrazolecarbohydrazide	pyrazoles; ring assembly		low
4-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-1,5-dimethyl-2-phenyl-3-pyrazolone	pyrazoles; ring assembly		low
1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(4-methylphenyl)sulfonylurea	pyrazoles; ring assembly		low
2-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-3-one	pyrazoles; ring assembly		low
N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-1-phenylmethanamine	pyrazoles; ring assembly		low
4-(5-amino-4-phenyl-1-pyrazolyl)benzoic acid	pyrazoles; ring assembly		low
N-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinamine	pyrazoles; ring assembly		low
LSM-28273	pyrazoles; ring assembly		low
N'-[2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-1-oxoethyl]-2-furancarbohydrazide	pyrazoles; ring assembly		low
1-[4-(2-fluorophenyl)-2-thiazolyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester	pyrazoles		low
1-methyl-5-[(4-methylphenyl)thio]-3-phenyl-4-pyrazolecarbonitrile	pyrazoles; ring assembly		low
3-phenyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine	pyrazoles; ring assembly		low
4-(2,5-dimethoxyphenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione	pyrazoles; ring assembly		low
5-tert-butyl-3-(4-chlorophenyl)-N-(2-pyridinylmethyl)-7-pyrazolo[1,5-a]pyrimidinamine	pyrazoles; ring assembly		low
LSM-20639	pyrazoles; ring assembly		low
6-[[(4-chlorophenyl)thio]methyl]-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione	pyrazoles; ring assembly		low
4-(2,5-dimethoxyphenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione	pyrazoles; ring assembly		low
N-[5-methyl-2-(4-methylphenyl)-3-pyrazolyl]-2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-9-yl)oxy]acetamide	pyrazoles; ring assembly		low
5-tert-butyl-2-methyl-3-phenyl-N-(2-pyridinylmethyl)-7-pyrazolo[1,5-a]pyrimidinamine	pyrazoles; ring assembly		low
1-(4-methoxyphenyl)-N-[2-(4-morpholinyl)ethyl]-4-pyrazolo[3,4-d]pyrimidinamine	pyrazoles; ring assembly		low
N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamide	pyrazoles; ring assembly		low
N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(2-methylphenoxy)propanamide	pyrazoles; ring assembly		low
N-[4-(4-methyl-2-thiazolyl)-2-phenyl-3-pyrazolyl]-3-(trifluoromethyl)benzamide	pyrazoles; ring assembly		low
1-(4-fluorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-(methylamino)-2-oxoethyl] ester	pyrazoles; ring assembly		low
2-chloro-N-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]acetamide	pyrazoles; ring assembly		low
3-(4-methoxyphenyl)-1-phenyl-4-pyrazolamine	pyrazoles; ring assembly		low
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,5-diphenyl-3-pyrazolecarboxamide	pyrazoles; ring assembly		low
2-chloro-N-(2-phenyl-5-propyl-3-pyrazolyl)acetamide	pyrazoles; ring assembly		low
N-(5-methyl-2-phenyl-3-pyrazolyl)-2-phenoxyacetamide	pyrazoles; ring assembly		low
1-phenyl-N-(3-pyridinylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide	pyrazoles; ring assembly		low
N-[[2-(diethylamino)ethylamino]-sulfanylidenemethyl]-3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxamide	pyrazoles; ring assembly		low
3-(4-methoxyphenyl)-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]-1-phenyl-4-pyrazolecarboxamide	pyrazoles; ring assembly		low
3-methyl-N,1-diphenyl-4-pyrazolecarbothioamide	pyrazoles; ring assembly		low
1-(2-chlorophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxamide	pyrazoles; ring assembly		low
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethyl-1-pyrazolyl)benzamide	pyrazoles; ring assembly		low
3-[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid	pyrazoles; ring assembly		low
5-(4-propylphenyl)-1H-pyrazol-3-amine	pyrazoles; ring assembly		low
N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamide	pyrazoles; ring assembly		low
3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-(butylamino)-2-oxoethyl] ester	pyrazoles; ring assembly		low
N2-[5-(4-chlorophenyl)-2-phenyl-3-pyrazolyl]benzene-1,2-diamine	pyrazoles; ring assembly		low
N2-[2-(4-methylphenyl)-5-phenyl-3-pyrazolyl]benzene-1,2-diamine	pyrazoles; ring assembly		low
N2-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine	pyrazoles; ring assembly		low
2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester	pyrazoles; ring assembly		low
2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(2-chloro-5-nitroanilino)-2-oxoethyl] ester	pyrazoles; ring assembly		low
2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester	pyrazoles; ring assembly		low
N-[[(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)amino]-sulfanylidenemethyl]benzamide	pyrazoles; ring assembly		low
N2-[5-(3-chlorophenyl)-2-phenyl-3-pyrazolyl]benzene-1,2-diamine	pyrazoles; ring assembly		low
2-phenyl-5-sulfanylidene-3,7,8,9,10,11-hexahydropyrazolo[4,5]pyrimido[3,5-a]azepin-1-one	pyrazoles; ring assembly		low
3-(3,4-dimethylphenyl)-1-(phenylmethyl)-4-pyrazolecarboxaldehyde	pyrazoles; ring assembly		low
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-4-pyrazolecarboxylic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester	pyrazoles		low
4-(3-methyl-1-phenyl-1H-pyrazolo[3,4-b]quinolin-4-yl)morpholine	pyrazoles; ring assembly		low
3-(tert-butyl)-1-methyl-4,5-dihydro-1H-pyrazol-5-one	pyrazoles		low
2,5-bis(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1,3,4-oxadiazole	pyrazoles; ring assembly		low
4-(3-methylphenyl)-2-(3-nitrophenyl)-3-pyrazolamine	pyrazoles; ring assembly		low
4-(4-methylphenyl)-2-(3-nitrophenyl)-3-pyrazolamine	pyrazoles; ring assembly		low
3-(2,4-dichlorophenyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole	pyrazoles; ring assembly		low
2-(3,5-dimethyl-1-pyrazolyl)benzonitrile	pyrazoles; ring assembly		low
ethyl 1-[4-(4-chlorobenzenesulfonamido)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate	ethyl ester; monochlorobenzenes; organofluorine compound; pyrazoles; sulfonamide		low
1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea	pyrazoles; ring assembly		low
3,3-dimethyl-5-oxo-5-[(3-phenyl-1H-pyrazol-5-yl)amino]pentanoic acid	pyrazoles; ring assembly		low
1-[(4-chlorophenyl)-oxomethyl]-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylic acid methyl ester	pyrazoles; ring assembly		low
4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzoic acid	pyrazoles; ring assembly		low
4-[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-2,6-dimethylmorpholine	pyrazoles; ring assembly		low
1-(4-methoxyphenyl)-N,N-dipropyl-4-pyrazolo[3,4-d]pyrimidinamine	pyrazoles; ring assembly		low
2-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-hydroxy-3-phenyl-1-isoindolone	pyrazoles; ring assembly		low
2-(1,3-diphenyl-4-pyrazolyl)-3-(2-furanylmethyl)-4-thiazolidinone	pyrazoles; ring assembly		low
3-(4-fluorophenyl)-N-[3-(1-imidazolyl)propyl]-1-phenyl-4-pyrazolecarboxamide	pyrazoles; ring assembly		low
1-(4-fluorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid (2-oxo-3-oxolanyl) ester	pyrazoles; ring assembly		low
3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester	pyrazoles; ring assembly		low
deracoxib	organofluorine compound; pyrazoles; sulfonamide	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
fipronil sulfone	(trifluoromethyl)benzenes; dichlorobenzene; nitrile; pyrazoles; sulfone	marine xenobiotic metabolite	low
4-methyl-3-phenyl-1H-pyrazole-5-carbohydrazide	pyrazoles; ring assembly		low
3-(4-fluorophenyl)-5-(2-furanyl)-2-phenyl-3,4-dihydropyrazole	pyrazoles; ring assembly		low
2-[[3-methyl-5-oxo-1-(phenylmethyl)-4H-pyrazol-4-yl]-phenylmethyl]propanedinitrile	pyrazoles		low
7-(2-ethyl-1-piperidinyl)-5-methyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine	pyrazoles; ring assembly		low
N-(2,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetamide	pyrazoles; ring assembly		low
N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide	pyrazoles; ring assembly		low
N-(3-chlorophenyl)-2-[1-(3,4-dimethylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetamide	pyrazoles; ring assembly		low
1-(4-chlorophenyl)-5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-4-pyrazolecarboxylic acid	pyrazoles; ring assembly		low
N-[2-(2,3-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide	pyrazoles; ring assembly		low
3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid methyl ester	pyrazoles; ring assembly		low
5-methyl-N-(5-methyl-2-phenyl-3-pyrazolyl)-3-isoxazolecarboxamide	pyrazoles; ring assembly		low
2-(4-ethoxyphenyl)-5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid	pyrazoles; ring assembly		low
5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid	pyrazoles		low
3-[5-amino-3-(4-chlorophenyl)-1-pyrazolyl]propanoic acid ethyl ester	pyrazoles; ring assembly		low
3-methyl-N-[2-(4-morpholinyl)ethyl]-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide	pyrazoles; ring assembly		low
1-[2-(1-oxo-2-thiophen-2-ylethoxy)ethyl]-5-[(1-oxo-2-thiophen-2-ylethyl)amino]-4-pyrazolecarboxylic acid ethyl ester	pyrazoles		low
1,3-diphenyl-4-pyrazolecarboxylic acid [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] ester	pyrazoles; ring assembly		low
4-[3-(1,3-diphenyl-4-pyrazolyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid	pyrazoles; ring assembly		low
gtp 14564	pyrazoles; ring assembly		low
2-amino-7,7-dimethyl-5-oxo-4-[1-phenyl-3-(4-propan-2-ylphenyl)-4-pyrazolyl]-6,8-dihydro-4H-1-benzopyran-3-carbonitrile	pyrazoles; ring assembly		low
5-[3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid	pyrazoles; ring assembly		low
4-[1-(4-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one	pyrazoles; ring assembly		low
N1',N6'-bis[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]hexanedihydrazide	aromatic amide; pyrazoles		low
5-chloro-4-[methoxy(phenyl)methyl]-1-methyl-3-phenylpyrazole	pyrazoles; ring assembly		low
5-methyl-3-phenyl-7-(prop-2-enylthio)pyrazolo[1,5-a]pyrimidine	pyrazoles; ring assembly		low
2-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitropyridine	pyrazoles; ring assembly		low
2-[[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]-1-butanol	pyrazoles; ring assembly		low
4-[(2-hydroxy-3-nitrophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one	pyrazoles; ring assembly		low
N-butan-2-yl-2-[[3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-oxo-2-quinazolinyl]thio]acetamide	pyrazoles; ring assembly		low
7-(1-azepanyl)-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine	pyrazoles; ring assembly		low
5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-(3-nitrophenyl)methyl]-2-phenyl-1H-pyrazol-3-one	pyrazoles; ring assembly		low
4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester	pyrazoles; ring assembly		low
am 281	pyrazoles; ring assembly		low
sc 560	aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug	low
LSM-28389	pyrazoles; ring assembly		low
LSM-16826	pyrazoles; ring assembly		low
1-(4-methoxyphenyl)-N-(2-oxolanylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine	pyrazoles; ring assembly		low
ver-49009	aromatic amide; monochlorobenzenes; monomethoxybenzene; pyrazoles; resorcinols	Hsp90 inhibitor	low
4-[1-(4-fluorophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one	pyrazoles; ring assembly		low
3-(4-ethoxyphenyl)-N-[(1-methyl-4-piperidinylidene)amino]-1H-pyrazole-5-carboxamide	pyrazoles; ring assembly		low
6-[5-chloro-3-methyl-1-(4-methylphenyl)-4-pyrazolyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester	pyrazoles; ring assembly		low
N-[3-(1-imidazolyl)propyl]-2-methyl-3-phenyl-5-propyl-7-pyrazolo[1,5-a]pyrimidinamine	pyrazoles; ring assembly		low
5-tert-butyl-3-(4-chlorophenyl)-7-(2-ethyl-1-imidazolyl)pyrazolo[1,5-a]pyrimidine	pyrazoles; ring assembly		low
5-methyl-2-phenyl-4-propan-2-ylidene-3-pyrazolone	pyrazoles		low
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole	phenols; pyrazoles	estrogen receptor agonist	low
4-[1-(2,4-dichlorophenyl)-2-nitroethyl]-5-(2-hydroxyphenyl)-1,2-dihydropyrazol-3-one	pyrazoles; ring assembly		low
[5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-3-pyrazolyl]-(4-morpholinyl)methanone	pyrazoles; ring assembly		low
4-[3-(2-chloro-1-oxoethyl)-2,5-dimethyl-1-pyrrolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone	pyrazoles; ring assembly		low
N-(2-methoxyethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide	pyrazoles		low
2-(4-fluoro-3-methylphenyl)sulfonyl-5-(2-methoxyphenyl)-3-pyrazolamine	pyrazoles; ring assembly		low
4-[[[3-(2-fluorophenyl)-1-methyl-5-thieno[2,3-c]pyrazolyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester	pyrazoles; ring assembly		low
3-(4-chlorophenyl)-N-cyclopropyl-1-methyl-5-thieno[2,3-c]pyrazolecarboxamide	pyrazoles; ring assembly		low
3-(4-chlorophenyl)-1-methyl-N-[(5-methyl-2-furanyl)methyl]-5-thieno[2,3-c]pyrazolecarboxamide	pyrazoles; ring assembly		low
N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-(1H-imidazol-5-ylsulfonyl)-3-piperidinecarboxamide	pyrazoles; ring assembly		low
3-(4-chlorophenyl)-1-methyl-N-[3-(1-pyrrolidinyl)propyl]-5-thieno[2,3-c]pyrazolecarboxamide	pyrazoles; ring assembly		low
4-[3-(4-fluorophenyl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]-1-piperidinecarboxylic acid ethyl ester	pyrazoles; ring assembly		low
N-(6-acetyl-1,3-benzodioxol-5-yl)-5-methyl-2-phenyl-3-pyrazolecarboxamide	pyrazoles; ring assembly		low
3-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-1-methyl-5-thieno[2,3-c]pyrazolecarboxamide	pyrazoles; ring assembly		low
pyrachlostrobin	aromatic ether; carbamate ester; carbanilate fungicide; methoxycarbanilate strobilurin antifungal agent; monochlorobenzenes; pyrazoles	antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; xenobiotic	low
2-(4-methoxyphenyl)-5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester	pyrazoles; ring assembly		low
N-(phenylmethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)-5-pyrazolo[3,4-b]pyridinyl]propanamide	pyrazoles; ring assembly		low
2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-5-(4-chlorophenyl)-3-pyrazolamine	pyrazoles; ring assembly		low
4-(5-(4-fluorophenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl)benzenesulfonamide	organofluorine compound; pyrazoles; sulfonamide	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
sr 147778	pyrazoles; ring assembly		low
sd 0006	monochlorobenzenes; N-acylpiperidine; primary alcohol; pyrazoles; pyrimidines		low
ethiprole	pyrazoles; ring assembly		low
osu 03012	antibiotic antifungal drug; aromatic amide; glycine derivative; organofluorine compound; phenanthrenes; pyrazoles	antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
1-(2,4-dichlorophenyl)-6-methyl-N-(1-piperidinyl)-4H-indeno[1,2-c]pyrazole-3-carboxamide	pyrazoles; ring assembly		low
cc 401	pyrazoles; ring assembly		low
at 7867	monochlorobenzenes; piperidines; pyrazoles	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
4-(2-phenyl-5,7-bis(trifluoromethyl)pyrazolo(1,5-a)pyrimidin-3-yl)phenol	pyrazoles; ring assembly		low
penthiopyrad	aromatic amide; organofluorine compound; pyrazoles; thiophenes		low
fr 180204	pyrazoles; ring assembly		low
5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide	aromatic amide; organofluorine compound; pyrazoles		low
n-(2-(1,1'-bicyclopropyl)-2-ylphenyl)-3-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxamide	aromatic amide; cyclopropanes; organofluorine compound; pyrazoles; ring assembly		low
GDC-0879	indanes; ketoxime; primary alcohol; pyrazoles; pyridines	antineoplastic agent; B-Raf inhibitor	low
2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-5-(4-bromophenyl)-3-pyrazolamine	pyrazoles; ring assembly		low
pyriprole	pyrazoles; ring assembly		low
3-[2-(4-chlorophenyl)-5,7-dimethyl-6-pyrazolo[1,5-a]pyrimidinyl]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide	pyrazoles; ring assembly		low
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-6-pyrazolo[1,5-a]pyrimidinyl]-N-(phenylmethyl)propanamide	pyrazoles; ring assembly		low
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]methanone	pyrazoles; ring assembly		low
fluxapyroxad	anilide fungicide; aromatic amide; biphenyls; pyrazoles; trifluorobenzene	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor	low
3-[3-(4-fluorophenyl)-2,5,7-trimethyl-6-pyrazolo[1,5-a]pyrimidinyl]-N-(2-methoxyphenyl)propanamide	pyrazoles; ring assembly		low
N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)-4-pyrazolyl]methyl]-2-(2-pyridinyl)ethanamine	pyrazoles; ring assembly		low
(3aS,5S,9aS)-5-[1-(2-methoxyphenyl)-4-pyrazolyl]-2-phenyl-3a,4,5,7,8,9-hexahydro-3H-pyrrolo[3,4-h]pyrrolizin-1-one	pyrazoles; ring assembly		low
1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-4-pyrazolyl]methyl]-4-methoxypiperidine	pyrazoles; ring assembly		low
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-thiophenyl)-2-propanamine	pyrazoles; ring assembly		low
N-[[3-(3-methylphenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-3-(1-pyrazolyl)-1-propanamine	pyrazoles; ring assembly		low
1-(1,5-dimethyl-3-pyrazolyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine	pyrazoles; ring assembly		low
(1R,5S)-6-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-6-azabicyclo[3.2.1]octane	pyrazoles; ring assembly		low
1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-4-[(1-methyl-2-imidazolyl)methyl]piperazine	pyrazoles; ring assembly		low
(3aS,5S,9aS)-2-[(2-methylphenyl)methyl]-5-(1-methyl-3-phenyl-4-pyrazolyl)-3a,4,5,7,8,9-hexahydro-3H-pyrrolo[3,4-h]pyrrolizin-1-one	pyrazoles; ring assembly		low
2-(3,5-dimethyl-1-pyrazolyl)-N-[[3-(4-fluorophenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]ethanamine	pyrazoles; ring assembly		low
1-[[3-(2-fluorophenyl)-1-methyl-4-pyrazolyl]methyl]-3-propoxypiperidine	pyrazoles; ring assembly		low
N'-[1-(3,4-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]acetohydrazide	pyrazoles; ring assembly		low
5-(4-chlorophenyl)-2-(4-methoxyphenyl)sulfonyl-3-pyrazolamine	pyrazoles; ring assembly		low
1-hydroxy-2-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-benzotriazin-3-one	pyrazoles; ring assembly		low
2-[[1-(4-fluorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(2-oxolanylmethyl)acetamide	pyrazoles; ring assembly		low
cyenopyrafen	nitrile; pivalate ester; pyrazoles	agrochemical; proacaricide	low
sgx 523	aryl sulfide; biaryl; pyrazoles; quinolines; triazolopyridazine	c-Met tyrosine kinase inhibitor; nephrotoxic agent	low
bms 754807	pyrazoles; pyridines; pyrrolidines; pyrrolotriazine	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
N-[1-(3-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(2-pyridinylthio)acetamide	pyrazoles; ring assembly		low
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethyl-3-pyrazolecarboxamide	pyrazoles; ring assembly		low
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-5-thiadiazolecarboxamide	pyrazoles; ring assembly		low
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethyl-3-pyrazolecarboxamide	pyrazoles; ring assembly		low
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-(methoxymethyl)-2-furancarboxamide	pyrazoles; ring assembly		low
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,5-dimethyl-1-pyrazolyl)acetamide	pyrazoles; ring assembly		low
dcc-2036	organofluorine compound; phenylureas; pyrazoles; pyridinecarboxamide; quinolines	tyrosine kinase inhibitor	low
incb-018424	nitrile; pyrazoles; pyrrolopyrimidine	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
baricitinib	azetidines; nitrile; pyrazoles; pyrrolopyrimidine; sulfonamide	anti-inflammatory agent; antirheumatic drug; antiviral agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; immunosuppressive agent	low
gsk 1070916	pyrazoles; ring assembly		low
azd4547	benzamides; N-arylpiperazine; pyrazoles	fibroblast growth factor receptor antagonist	low
N-[9-(dichloromethylene)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide	aromatic amide; bridged compound; olefinic compound; organochlorine compound; organofluorine compound; pyrazoles		low
3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide	aromatic amide; monocarboxylic acid amide; organofluorine compound; pyrazoles; trichlorobenzene		low
oxathiapiprolin	1,3-thiazoles; isoxazoline; N-acylpiperidine; organofluorine compound; pyrazoles; tertiary carboxamide		low
pf-06463922	aminopyridine; aromatic ether; azamacrocycle; benzamides; cyclic ether; monofluorobenzenes; nitrile; organic heterotetracyclic compound; pyrazoles	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
CCT251545	azaspiro compound; chloropyridine; pyrazoles	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; Wnt signalling inhibitor	low
can 508	aromatic amine; monoazo compound; phenols; pyrazoles	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
N-[3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-isoindolylidene]-2-thiophenecarboxamide	pyrazoles; ring assembly		low
pyrazofurin	C-glycosyl compound; pyrazoles	antimetabolite; antimicrobial agent; antineoplastic agent; EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor	low
3-amino-2-phenyl-2H-pyrazolo[4,3-c]pyridine-4,6-diol	pyrazoles; ring assembly		low
4-methyl-3-phenyl-1,2-dihydropyrazolo[3,4-b]pyridin-6-one	pyrazoles; ring assembly		low
hydrazinocurcumin	aromatic ether; olefinic compound; polyphenol; pyrazoles	angiogenesis modulating agent; antineoplastic agent; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
5-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-pyrazole	pyrazoles; ring assembly		low
1-butanol	alkyl alcohol; primary alcohol; short-chain primary fatty alcohol	human metabolite; mouse metabolite; protic solvent	low
ethanolamine	ethanolamines; primary alcohol; primary amine	Escherichia coli metabolite; human metabolite; mouse metabolite	low
glycolic acid	2-hydroxy monocarboxylic acid; primary alcohol	keratolytic drug; metabolite	low
methanol	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite	low
1-octanol	octanol; primary alcohol	antifungal agent; bacterial metabolite; fuel additive; kairomone; plant metabolite	low
thiamine	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite	low
2-(4-methyl-1,3-thiazol-5-yl)ethanol	1,3-thiazoles; primary alcohol	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite	low
mercaptoethanol	alkanethiol; primary alcohol	geroprotector	low
4-imidazolemethanol	imidazoles; primary alcohol		low
aa 861	1,4-benzoquinones; acetylenic compound; primary alcohol	EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor	low
benserazide	carbohydrazide; catechols; primary alcohol; primary amino compound	antiparkinson drug; dopaminergic agent; EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor	low
dimercaprol	dithiol; primary alcohol	chelator	low
idebenone	1,4-benzoquinones; primary alcohol	antioxidant; ferroptosis inhibitor	low
kojic acid	4-pyranones; enol; primary alcohol	Aspergillus metabolite; EC 1.10.3.1 (catechol oxidase) inhibitor; EC 1.10.3.2 (laccase) inhibitor; EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor; EC 1.14.18.1 (tyrosinase) inhibitor; EC 1.4.3.3 (D-amino-acid oxidase) inhibitor; NF-kappaB inhibitor; skin lightening agent	low
metronidazole	C-nitro compound; imidazoles; primary alcohol	antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic	low
2-aminopropanol	amino alcohol; primary alcohol; primary amino compound		low
phenylethyl alcohol	benzenes; primary alcohol	Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite	low
trimethylolpropane	primary alcohol		low
isobutyl alcohol	alkyl alcohol; primary alcohol	Saccharomyces cerevisiae metabolite	low
glycol salicylate	phenols; primary alcohol; salicylates		low
veratryl alcohol	benzyl alcohols; dimethoxybenzene; primary alcohol	fungal metabolite	low
tetrahydrofurfuryl alcohol	oxolanes; primary alcohol	protic solvent	low
furfuryl alcohol	furans; primary alcohol	Maillard reaction product	low
2-ethylhexanol	primary alcohol	plant metabolite; volatile oil component	low
2-ethoxyethanol	glycol ether; primary alcohol	protic solvent; teratogenic agent	low
1-hexanol	hexanol; primary alcohol	alarm pheromone; antibacterial agent; fragrance; plant metabolite	low
1,5-pentanediol	primary alcohol		low
heptanol	heptanol; primary alcohol	flavouring agent; fragrance; gap junctional intercellular communication inhibitor; plant metabolite	low
n-butoxyethanol	glycol ether; primary alcohol	protic solvent	low
carbitol	diether; glycol ether; hydroxypolyether; primary alcohol	protic solvent	low
triethylene glycol	diol; poly(ethylene glycol); primary alcohol	plasticiser	low
n-decyl alcohol	decanol; primary alcohol	metabolite; pheromone; protic solvent	low
undecan-1-ol	primary alcohol; undecanol	flavouring agent; plant metabolite	low
dodecanol	dodecanol; primary alcohol	bacterial metabolite; cosmetic; insect attractant; insecticide; pheromone; plant metabolite	low
pentaerythritol	primary alcohol; tetrol	flame retardant; laxative	low
acetol	methyl ketone; primary alcohol; primary alpha-hydroxy ketone; propanones	Escherichia coli metabolite; human metabolite; mouse metabolite	low
2-methylbutanol	alkyl alcohol; primary alcohol	Saccharomyces cerevisiae metabolite	low
1-nonanol	nonanol; primary alcohol	antifungal agent; flavouring agent; plant metabolite; volatile oil component	low
3-amino-1-propanol	primary alcohol; primary amine; propanolamine		low
3-hexen-1-ol	alkenyl alcohol; homoallylic alcohol; primary alcohol; volatile organic compound	plant metabolite	low
glycidol	epoxide; primary alcohol		low
3-methylbenzyl alcohol	methylbenzyl alcohol; primary alcohol		low
3-Bromo-1-propanol	primary alcohol		low
hexamethylene glycol	diol; primary alcohol		low
clopenthixol	N-alkylpiperazine; primary alcohol; thioxanthenes	alpha-adrenergic antagonist; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist	low
dihydroconiferyl alcohol	eugenol; primary alcohol	plant metabolite	low
pentaethylene glycol monododecyl ether	hydroxypolyether; pentaethylene glycol; primary alcohol	nonionic surfactant	low
2,2-bis(bromomethyl)-1,3-propanediol	primary alcohol		low
butylhydroxybutylnitrosamine	nitrosamine; primary alcohol	carcinogenic agent	low
aethoxysclerol	hydroxyether; primary alcohol		low
n-ethyl-n-hydroxyethylnitrosamine	nitrosamine; primary alcohol	carcinogenic agent	low
phenoxyethanol	aromatic ether; glycol ether; primary alcohol	antiinfective agent; central nervous system depressant	low
isopentyl alcohol	alkyl alcohol; primary alcohol; volatile organic compound	antifungal agent; Saccharomyces cerevisiae metabolite; xenobiotic metabolite	low
toloxatone	oxazolidinone; primary alcohol; toluenes		low
deoxynivalenol	cyclic ketone; enone; primary alcohol; secondary alpha-hydroxy ketone; trichothecene; triol	mycotoxin	low
5-benzylacyclouridine	hydroxyether; primary alcohol; pyrimidone		low
loxtidine	aromatic ether; piperidines; primary alcohol; triazoles	H2-receptor antagonist	low
lamivudine	monothioacetal; nucleoside analogue; oxacycle; primary alcohol	allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug	low
1-((2-hydroxyethoxy)methyl)-6-(phenylthio)thymine	aryl sulfide; primary alcohol; pyrimidone	antiviral drug; HIV-1 reverse transcriptase inhibitor	low
oxetanocin a	diol; nucleoside analogue; oxetanes; primary alcohol	anti-HIV agent; antibacterial agent; bacterial metabolite	low
5-hydroxymethyluracil	primary alcohol; pyrimidone	human metabolite	low
methylthioethanol	aliphatic sulfide; primary alcohol	plant metabolite; xenobiotic metabolite	low
glyceryl 1,2-dinitrate	dinitroglycerol; primary alcohol		low
3,4-dihydroxyphenylethanol	catechols; primary alcohol	antineoplastic agent; antioxidant; metabolite	low
erythrodiol	diol; pentacyclic triterpenoid; primary alcohol; secondary alcohol	plant metabolite	low
bosentan anhydrous	primary alcohol; pyrimidines; sulfonamide	antihypertensive agent; endothelin receptor antagonist	low
cafestol	diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; plant metabolite	low
chrysanthemol	cyclopropanes; homoallylic alcohol; monoterpenoid; primary alcohol		low
kahweol	diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite	low
4-methylcyclohexanemethanol	aliphatic alcohol; carbocyclic compound; primary alcohol		low
chrysobactin	catechols; dipeptide; monocarboxylic acid; primary alcohol; primary amino compound	bacterial metabolite; siderophore	low
5-benzyloxybenzylacyclouridine	benzyl ether; hydroxyether; primary alcohol		low
isolariciresinol	guaiacols; lignan; polyphenol; primary alcohol	plant metabolite	low
albicanol	carbobicyclic compound; homoallylic alcohol; primary alcohol; sesquiterpenoid	antifeedant; antifungal agent; antineoplastic agent; fungal metabolite; mammalian metabolite; marine metabolite; plant metabolite	low
enrasentan	aromatic ether; benzodioxoles; indanes; monocarboxylic acid; monomethoxybenzene; primary alcohol	antihypertensive agent; endothelin receptor antagonist	low
5-hydroxymethylfurfural	arenecarbaldehyde; furans; primary alcohol	indicator; Maillard reaction product	low
withaferin a	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide	antineoplastic agent; apoptosis inducer	low
lariciresinol	aromatic ether; lignan; oxolanes; phenols; primary alcohol	antifungal agent; plant metabolite	low
veratrone	aromatic ketone; dimethoxybenzene; primary alcohol		low
(2S,3R)-dihydrodehydrodiconiferyl alcohol	1-benzofurans; guaiacols; guaiacyl lignin; primary alcohol		low
lactucin	azulenofuran; cyclic terpene ketone; enone; primary alcohol; secondary alcohol; sesquiterpene lactone	antimalarial; plant metabolite; sedative	low
cleomiscosin a	aromatic ether; delta-lactone; organic heterotricyclic compound; phenols; primary alcohol	anti-inflammatory agent; metabolite	low
(north)-methanocarbathymidine	C-glycosyl pyrimidine; carbobicyclic compound; primary alcohol; pyrimidone; secondary alcohol		low
phenylalaninol	amino alcohol; amphetamines; primary alcohol; primary amino compound		low
16beta,17-dihydroxy-ent-kaurane-19-oic acid	bridged compound; diol; ent-kaurane diterpenoid; hydroxy monocarboxylic acid; primary alcohol; tertiary alcohol	anti-HIV agent; metabolite	low
egonol	1-benzofurans; aromatic ether; benzodioxoles; primary alcohol	plant metabolite	low
sordaricin	3-oxo monocarboxylic acid; aldehyde; bridged compound; primary alcohol; tetracyclic diterpenoid	antifungal agent; fungal metabolite	low
3-mercaptohexanol	alkanethiol; primary alcohol	flavouring agent; plant metabolite; Saccharomyces cerevisiae metabolite	low
geraniol	3,7-dimethylocta-2,6-dien-1-ol; monoterpenoid; primary alcohol	allergen; fragrance; plant metabolite; volatile oil component	low
crotonyl alcohol	primary alcohol		low
ospemifene	aromatic ether; organochlorine compound; primary alcohol	anti-inflammatory agent; antineoplastic agent; estrogen receptor modulator	low
drimenol	homoallylic alcohol; octahydronaphthalenes; primary alcohol; sesquiterpenoid		low
plaunotol	diterpenoid; primary alcohol	anti-ulcer drug; antibacterial agent; antineoplastic agent; apoptosis inducer; nephroprotective agent; plant metabolite; vulnerary	low
syringin	beta-D-glucoside; dimethoxybenzene; monosaccharide derivative; primary alcohol	hepatoprotective agent; plant metabolite	low
andrographolide	carbobicyclic compound; gamma-lactone; labdane diterpenoid; primary alcohol; secondary alcohol	anti-HIV agent; anti-inflammatory drug; antineoplastic agent; metabolite	low
dehydrodiconiferyl alcohol	1-benzofurans; guaiacols; guaiacyl lignin; primary alcohol	anti-inflammatory agent; plant metabolite	low
solanesol	nonaprenol; primary alcohol	plant metabolite	low
riddelliine n-oxide	diol; macrocyclic lactone; olefinic compound; organic heterotricyclic compound; primary alcohol; pyrrolizine alkaloid; tertiary alcohol; tertiary amine oxide	carcinogenic agent; genotoxin; human xenobiotic metabolite; Jacobaea metabolite; mutagen; rat metabolite	low
everolimus	cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol	anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor	low
tuberonic acid	cyclopentanones; homoallylic alcohol; oxo monocarboxylic acid; primary alcohol	jasmonates; plant metabolite	low
fty 720p	monoalkyl phosphate; primary alcohol; primary amino compound	antineoplastic agent; immunosuppressive agent; sphingosine-1-phosphate receptor agonist	low
(+)-lyoniresinol-3-alpha-O-beta-D-glucopyranoside	beta-D-glucoside; dimethoxybenzene; lignan; monosaccharide derivative; polyphenol; primary alcohol; tetralins	antibacterial agent; antifungal agent; metabolite	low
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside	aromatic ether; benzyl alcohols; beta-D-glucoside; monosaccharide derivative; primary alcohol	antineoplastic agent; metabolite	low
2,3-dihydro-3beta-methoxy withaferin A	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide	metabolite; plant metabolite	low
tedizolid	carbamate ester; organofluorine compound; oxazolidinone; primary alcohol; pyridines; tetrazoles	antimicrobial agent; drug metabolite; protein synthesis inhibitor	low
lyoniresinol	dimethoxybenzene; lignan; polyphenol; primary alcohol; tetralins	antineoplastic agent; metabolite	low
a-factor (streptomyces)	butan-4-olide; primary alcohol	metabolite	low
dihydroconiferyl alcohol glucoside	beta-D-glucoside; monomethoxybenzene; monosaccharide derivative; primary alcohol	plant metabolite	low
2,3-dihydrowithaferin A	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide	plant metabolite	low
vanchrobactin	catechols; dipeptide; guanidines; monocarboxylic acid; primary alcohol; triol	bacterial metabolite; marine metabolite; siderophore	low
decarbamylsaxitoxin	alkaloid; guanidines; ketone hydrate; paralytic shellfish toxin; primary alcohol; pyrrolopurine	bacterial metabolite; marine metabolite; neurotoxin; toxin; xenobiotic	low
tricin 4'-o-(threo-beta-guaiacylglyceryl) ether	dimethoxybenzene; flavonolignan; polyphenol; primary alcohol; secondary alcohol	plant metabolite	low
n(alpha)-acetylfusarinines	2,5-diketopiperazines; acetamides; carboxylic ester; homoallylic alcohol; hydroxamic acid; primary alcohol	siderophore	low
2,3-dihydro-3beta-O-sulfate withaferin A	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; steroid sulfate; withanolide	antineoplastic agent; metabolite; plant metabolite	low
equisetin	enol; octahydronaphthalenes; primary alcohol; tetramic acids	antibacterial agent; fungal metabolite; HIV-1 integrase inhibitor; quorum sensing inhibitor	low
stemmadenine	Aspidosperma alkaloid; methyl ester; monoterpenoid indole alkaloid; organic heterotetracyclic compound; primary alcohol	plant metabolite	low
vinylamycin	cyclodepsipeptide; macrocycle; primary alcohol	antibacterial agent; antimicrobial agent; metabolite	low
bacteriohopane-32-ol	pentacyclic triterpenoid; primary alcohol		low
myriaporone 3	beta-hydroxy ketone; epoxide; lactol; oxanes; primary alcohol; secondary alcohol	antineoplastic agent; metabolite	low
cyclooctatin	carbotricyclic compound; diterpenoid; primary alcohol; secondary alcohol; tertiary alcohol	bacterial metabolite; EC 3.1.1.5 (lysophospholipase) inhibitor	low
entecavir	2-aminopurines; oxopurine; primary alcohol; secondary alcohol	antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor	low
mirodenafil	aromatic ether; N-alkylpiperazine; primary alcohol; pyrrolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent	low
bicalutamide	(trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol		low
flunitrazepam	1,4-benzodiazepinone; C-nitro compound; monofluorobenzenes	anxiolytic drug; GABAA receptor agonist; sedative	low
flutrimazole	imidazole antifungal drug; imidazoles; monofluorobenzenes	EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor	low
midazolam	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative	low
p-fluorophenylalanine	fluoroamino acid; monofluorobenzenes; non-proteinogenic alpha-amino acid; phenylalanine derivative		low
2-fluorophenylalanine	monofluorobenzenes; non-proteinogenic alpha-amino acid; phenylalanine derivative		low
4-fluorophenol	fluorophenol; monofluorobenzenes		low
fluorobenzenes	monofluorobenzenes	NMR chemical shift reference compound	low
didesethylflurazepam	1,4-benzodiazepinone; monofluorobenzenes; organochlorine compound; primary amino compound	anticonvulsant; anxiolytic drug; drug metabolite; GABAA receptor agonist; sedative	low
difloxacin	fluoroquinolone antibiotic; monocarboxylic acid; monofluorobenzenes; N-alkylpiperazine; N-arylpiperazine; quinolone antibiotic; quinolone	antibacterial drug; Mycoplasma genitalium metabolite	low
brequinar	biphenyls; monocarboxylic acid; monofluorobenzenes; quinolinemonocarboxylic acid	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor	low
atorvastatin	aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic)	environmental contaminant; xenobiotic	low
flusilazole	conazole fungicide; monofluorobenzenes; organosilicon compound; triazole fungicide; triazoles	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic	low
foe 5043	aromatic amide; monofluorobenzenes; thiadiazoles	environmental contaminant; herbicide; xenobiotic	low
flutriafol	monofluorobenzenes; tertiary alcohol; triazoles		low
flufenoxuron	(trifluoromethyl)benzenes; benzoylurea insecticide; difluorobenzene; monochlorobenzenes; monofluorobenzenes	mite growth regulator	low
1-hydroxymethylmidazolam	aromatic primary alcohol; imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	drug metabolite; human blood serum metabolite; human urinary metabolite	low
4-hydroxymidazolam	imidazobenzodiazepine; monofluorobenzenes; organic hydroxy compound; organochlorine compound	drug metabolite; human blood serum metabolite; human urinary metabolite	low
1-hydroxymethylmidazolam glucuronide	beta-D-glucosiduronic acid; imidazobenzodiazepine; monofluorobenzenes; monosaccharide derivative; organochlorine compound	drug metabolite; human blood serum metabolite; human urinary metabolite	low
s 23121	aromatic ether; dicarboximide; monochlorobenzenes; monofluorobenzenes; pyrroline; terminal acetylenic compound		low
sb 203580	imidazoles; monofluorobenzenes; pyridines; sulfoxide	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent	low
rosuvastatin	dihydroxy monocarboxylic acid; monofluorobenzenes; pyrimidines; statin (synthetic); sulfonamide	anti-inflammatory agent; antilipemic drug; cardioprotective agent; CETP inhibitor; environmental contaminant; xenobiotic	low
1-(4-fluorophenyl)-7-(4-methylphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione	monofluorobenzenes; pyrimidopyrimidine		low
epoxiconazole	epoxide; monochlorobenzenes; monofluorobenzenes; triazoles		low
quinoxyfen	aromatic ether; monofluorobenzenes; organochlorine compound; quinolines	antifungal agrochemical	low
pitavastatin	cyclopropanes; dihydroxy monocarboxylic acid; monofluorobenzenes; quinolines; statin (synthetic)	antioxidant	low
2-(4-fluoro-3-(trifluoromethyl)phenoxy)-n-(phenylmethyl)butanamide	(trifluoromethyl)benzenes; aromatic ether; monocarboxylic acid amide; monofluorobenzenes		low
scio-469	aromatic amide; aromatic ketone; chloroindole; dicarboxylic acid diamide; indolecarboxamide; monofluorobenzenes; N-acylpiperazine; N-alkylpiperazine	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
ly2090314	diazepinoindole; imidazopyridine; maleimides; monofluorobenzenes; piperidinecarboxamide; ureas	antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator	low
regorafenib	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide	antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor	low
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3h-imidazol-4-yl)pyrimidin-2-ylamine	aminopyrimidine; imidazoles; monofluorobenzenes	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
bay 60-4552	aminopyrimidine; carbamate ester; monofluorobenzenes; pyrazolopyridine	antihypertensive agent; drug metabolite; soluble guanylate cyclase activator; vasodilator agent	low
mdv 3100	(trifluoromethyl)benzenes; benzamides; imidazolidinone; monofluorobenzenes; nitrile; thiocarbonyl compound	androgen antagonist; antineoplastic agent	low
dafadine B	aromatic amide; aromatic ether; isoxazoles; monochlorobenzenes; monofluorobenzenes; N-acylpiperidine; pyridines	P450 inhibitor	low
olaparib	cyclopropanes; monofluorobenzenes; N-acylpiperazine; phthalazines	antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	low
lcl161	1,3-thiazoles; aromatic ketone; L-alanine derivative; monofluorobenzenes; N-acylpyrrolidine	antineoplastic agent; apoptosis inducer	low
acetanilide	acetamides; anilide	analgesic	low
acetarsol	acetamides; anilide		low
4-(acetylamino)benzeneacetic acid	acetamides; anilide		low
fentanyl	anilide; monocarboxylic acid amide; piperidines	adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic	low
propachlor	anilide; monocarboxylic acid amide; organochlorine compound	environmental contaminant; herbicide; xenobiotic	low
propanil	anilide; dichlorobenzene	herbicide	low
4-Anilino-4-oxobutanoic acid	anilide		low
arsthinol	acetamides; anilide		low
solan	anilide		low
Cypromid	anilide		low
oxycarboxin	anilide fungicide; anilide; organosulfur heterocyclic compound; oxacycle; sulfone	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor	low
sufentanil	anilide; ether; piperidines; thiophenes	anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic	low
prinomide	anilide		low
ocfentanil	anilide		low
remifentanil	alpha-amino acid ester; anilide; monocarboxylic acid amide; piperidinecarboxylate ester	intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; sedative	low
sufentanil citrate	anilide		low
iomeglamic acid	anilide		low
fenoxedil	anilide		low
Suplatast tosilate	anilide		low
Metsulfovax	anilide fungicide; anilide		low
pretilachlor	anilide		low
anilofos	anilide		low
pd 128042	anilide		low
noralfentanil	anilide		low
yc 170	anilide		low
carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester	anilide		low
norfentanyl	anilide; monocarboxylic acid amide; piperidines	drug metabolite; opioid analgesic	low
N-(3-hydroxyphenyl)-2-(2,4,5-trichlorophenoxy)acetamide	anilide		low
N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide	anilide		low
N-(2-fluorophenyl)-2-(3-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide	anilide		low
N-(2-methoxy-5-methylphenyl)-2-[[1-(phenylmethyl)-5-tetrazolyl]thio]acetamide	anilide		low
N-(4-fluorophenyl)-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]propanamide	anilide		low
N-(3-fluoro-4-methylphenyl)-1-(2-pyrimidinyl)-3-piperidinecarboxamide	anilide		low
3-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-4,5-dihydroisoxazole-5-carboxamide	anilide		low
5-cyano-6-[[2-(2,3-dimethylanilino)-2-oxoethyl]thio]-4-(2-furanyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide	anilide		low
N-(4-chlorophenyl)-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]propanamide	anilide		low
N-(4-acetamidophenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetamide	acetamides; anilide		low
4-[[4-ethyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(2-methoxyphenyl)-3-oxobutanamide	anilide		low
N-(4-methylphenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-yl)acetamide	anilide		low
N-(4-fluorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]-N-[(4-methoxyphenyl)methyl]acetamide	anilide		low
N-(3,4-dimethylphenyl)-2-[[5-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]acetamide	anilide		low
N-(3-methoxyphenyl)-2-(2-pyridinylthio)acetamide	anilide		low
N-cyano-N'-propan-2-ylcarbamimidothioic acid [2-(2-methoxyanilino)-2-oxoethyl] ester	anilide		low
2-(2,4-dioxo-3-phenyl-5-thiazolidinyl)-N-phenylacetamide	anilide		low
N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide	anilide		low
2-[[5-(2-furanyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxyphenyl)acetamide	anilide		low
2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(3-fluoro-4-methylphenyl)acetamide	anilide		low
N-(4-anilinophenyl)cyclopropanecarboxamide	anilide		low
N-[3-(2-phenyl-4-thiazolyl)phenyl]propanamide	anilide		low
N-(4-anilinophenyl)-2,2,2-trichloroacetamide	anilide		low
4-anilino-4-oxobutanoic acid (4-tert-butylcyclohexyl) ester	anilide		low
N-[4-(1-azepanyl)phenyl]-2-chloroacetamide	anilide		low
N-[4-(4-morpholinylazo)phenyl]acetamide	acetamides; anilide		low
N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide	anilide		low
N-[[6-cyano-5-(ethylamino)-3-methyl-2-pyrazinyl]methyl]-N-phenylacetamide	acetamides; anilide		low
2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)acetamide	anilide		low
N-(4-anilinophenyl)-2-methylpropanamide	anilide		low
N-(2-fluorophenyl)-3-phenylpropanamide	anilide		low
N-(3-methoxyphenyl)-3-[(4-methylphenyl)thio]propanamide	anilide		low
N-(3-ethylphenyl)-2-phenoxyacetamide	anilide		low
2-(3-acetamidophenoxy)-N-phenylacetamide	acetamides; anilide		low
2-(2-methylphenoxy)-N-[2-(methylthio)phenyl]acetamide	anilide		low
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(3,5-dimethylphenyl)acetamide	anilide		low
N-[4-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide	acetamides; anilide		low
N-(3-chloro-4-methylphenyl)-2-(2-formylphenoxy)acetamide	anilide		low
2-(2,5-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide	anilide		low
2-(2,4-dichlorophenoxy)-N-[4-(4-morpholinylmethyl)phenyl]acetamide	anilide		low
N-(2-methoxyphenyl)-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]propanamide	anilide		low
N-[4-[2-[(6-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide	acetamides; anilide		low
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide	acetamides; anilide		low
2-[[2-(3,4-dimethylanilino)-2-oxoethyl]thio]acetamide	anilide		low
2-(4-bromophenoxy)-N-[4-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide	anilide		low
N-(4-bromo-2-fluorophenyl)-1-methylsulfonyl-4-piperidinecarboxamide	anilide		low
2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(3-ethoxyphenyl)acetamide	anilide		low
2-chloro-N-heptyl-N-(3-methylphenyl)acetamide	anilide		low
N-[4-[[2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]phenyl]acetamide	acetamides; anilide		low
4-(4-chloro-2-methylphenoxy)-N-[3-(methylthio)phenyl]butanamide	anilide		low
N-(4-cyclohexylphenyl)-2-(2-hydroxyethylthio)acetamide	anilide		low
2-(2-hydroxyethylthio)-N-(2-methylphenyl)acetamide	anilide		low
4-[[(2,4-difluoroanilino)-sulfanylidenemethyl]hydrazo]-N-(3,4-dimethylphenyl)-4-oxobutanamide	anilide		low
2-[[5-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-(2-ethyl-6-methylphenyl)acetamide	anilide		low
2-(3,5-dimethylphenoxy)-N-[3-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide	anilide		low
2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-(4-cyanoanilino)-2-oxoethyl] ester	anilide		low
thiocyanic acid [4-[(2-chloro-1-oxoethyl)amino]-3,5-dimethylphenyl] ester	anilide		low
N-(4-acetamidophenyl)-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]acetamide	acetamides; anilide		low
2-(2,6-dichlorophenyl)acetic acid [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] ester	anilide		low
N-[4-[(2-furanylmethylamino)-sulfanylidenemethyl]phenyl]acetamide	acetamides; anilide		low
2-(2,4-dichlorophenoxy)-N-[2-(methylthio)phenyl]acetamide	anilide		low
N-(2,4-dichlorophenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]acetamide	anilide		low
2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] ester	anilide		low
2-chloro-N-(2-chloro-5-methylsulfonylphenyl)acetamide	anilide		low
3-methyl-5-oxo-5-(4-toluidino)pentanoic acid	anilide		low
N-[2-chloro-6-(trifluoromethoxy)phenyl]-2,2-dimethylpropanamide	anilide		low
N-(3,5-dichlorophenyl)-2-[[4-methyl-5-[4-methyl-2-(5-methyl-3-isoxazolyl)-5-thiazolyl]-1,2,4-triazol-3-yl]thio]acetamide	anilide		low
N-(4-chlorophenyl)-2-[[4-methyl-5-[4-methyl-2-(5-methyl-3-isoxazolyl)-5-thiazolyl]-1,2,4-triazol-3-yl]thio]acetamide	anilide		low
N-(2-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]thio]acetamide	anilide		low
N-(3-chlorophenyl)-2-[[2-(2-pyridinyl)-2,3-dihydro-1,3,4-thiadiazol-5-yl]thio]acetamide	anilide		low
3-[(4-bromophenyl)methyl]-4-(4-methoxyanilino)-4-oxobutanoic acid	anilide		low
6-[(3,4-difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid	anilide		low
2-amino-N-(4-ethylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide	anilide		low
N-(4-bromo-3-chlorophenyl)-5-oxo-1-propan-2-yl-3-pyrrolidinecarboxamide	anilide		low
N-[4-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-phenoxybutanamide	anilide		low
N-(2,5-difluorophenyl)-2-oxolanecarboxamide	anilide		low
3-hydroxy-1-adamantanecarboxylic acid [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] ester	anilide		low
2-[(5,6-dithiophen-2-yl-1,2,4-triazin-3-yl)oxy]-N-methyl-N-phenylacetamide	anilide		low
N-[4-[[2-(4-acetamidoanilino)-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide	acetamides; anilide		low
2-(2,4-dioxo-3-phenyl-5-thiazolidinyl)-N-(3-methylphenyl)acetamide	anilide		low
CID 3191469	acetamides; anilide	anticoronaviral agent	low
CID 3198732	acetamides; anilide	anticoronaviral agent	low
5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-furanylmethyl)-4-triazolecarboxamide	anilide		low
6-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-5-thieno[2,3-b]pyrrolecarboxylic acid methyl ester	anilide		low
6-methyl-N-(2-methylphenyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide	anilide		low
N-(4-fluorophenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxoacetamide	anilide		low
2-phenylbutanoic acid [2-(3,5-dichloroanilino)-2-oxoethyl] ester	anilide		low
2-chloro-N-ethyl-N-phenylpropanamide	anilide		low
N-(4-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide	anilide		low
N-(2-methoxy-5-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide	anilide		low
N-(3,4-dimethylphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]thio]acetamide	anilide		low
N-(3-chlorophenyl)-2-[4-oxo-2-phenylimino-3-(2-pyridinylmethyl)-5-thiazolidinyl]acetamide	anilide		low
N-(4-fluorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide	anilide		low
N-[2-[1-(3,5-dimethyl-1-piperidinyl)-1-oxopropan-2-yl]oxyphenyl]acetamide	acetamides; anilide		low
N-(3,4-dimethylphenyl)-2-[[1-(phenylmethyl)-2-imidazolyl]thio]acetamide	anilide		low
2-[(2-anilino-2-oxoethyl)thio]butanedioic acid	anilide		low
2-[3-(2-furanylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-5-thiazolidinyl]-N-(2-methoxyphenyl)acetamide	anilide		low
zm226600	anilide		low
4-[5-(4-ethoxyphenyl)-3-isoxazolyl]-N-(3-methoxyphenyl)butanamide	anilide		low
2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide	anilide		low
oleoylanilide	anilide; fatty amide		low
2-[[5,6-bis(2-furanyl)-1,2,4-triazin-3-yl]thio]-N-(3-methylphenyl)acetamide	anilide		low
linoleylanilide	anilide; fatty amide		low
am 404	anilide		low
N-(4-ethylphenyl)-3-(1-pyrrolyl)propanamide	anilide		low
dalcetrapib	anilide		low
2-[[6-(2-furanyl)-3-pyridazinyl]thio]-N-(3-methylphenyl)acetamide	anilide		low
N-(4-methoxyphenyl)-2-[[1-(phenylmethyl)-2-imidazolyl]thio]acetamide	anilide		low
andarine	acetamides; anilide		low
N-[1-(5,6-dicyano-3-methyl-2-pyrazinyl)ethyl]-N-phenylacetamide	acetamides; anilide		low
N-[4-(diethylamino)-2-methylphenyl]-2-[(2-nitro-3-thiophenyl)thio]acetamide	anilide		low
N-(3-chloro-4-methylphenyl)-2-[3-(5-methyl-2-tetrazolyl)-1-adamantyl]acetamide	anilide		low
N-(2-ethyl-6-methylphenyl)-2-(4-methyl-1-oxo-2-pyrrolo[1,2-d][1,2,4]triazinyl)acetamide	anilide		low
3-[3,5-dimethyl-1-[6-(1-piperidinyl)-3-pyridazinyl]-4-pyrazolyl]-N-(3-fluorophenyl)propanamide	anilide		low
3-[3,5-dimethyl-1-[6-(1-piperidinyl)-3-pyridazinyl]-4-pyrazolyl]-N-(3-fluoro-4-methylphenyl)propanamide	anilide		low
2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxo-3-pyrrolo[3,4-d]pyridazinyl]-N-(2,3,5,6-tetrafluorophenyl)acetamide	anilide		low
(2S,4S)-4-(4-bromophenyl)-2-(4-hydroxybutoxy)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide	anilide		low
N-[2-[[4-(2-hydroxyethylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide	acetamides; anilide		low
1-[(2,3-dimethyl-4-imidazolyl)methyl]-N-[4-(2-furanyl)phenyl]-3-piperidinecarboxamide	anilide		low
N-(2-fluorophenyl)-2-[[7-(2-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl]thio]acetamide	anilide		low
N-[5-[[2-(4-acetamidoanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide	acetamides; anilide		low
N-[5-[[2-(4-acetamidoanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-5-bromo-2-furancarboxamide	acetamides; anilide		low
J147	anilide		low
N-[2-[3-(ethylthio)-5-oxo-2H-1,2,4-triazin-6-yl]phenyl]propanamide	anilide		low
N-[4-[2-(2-methoxyethylamino)-6H-1,3,4-thiadiazin-5-yl]phenyl]acetamide	acetamides; anilide		low
N-[4-[2-(2-oxolanylmethylamino)-6H-1,3,4-thiadiazin-5-yl]phenyl]acetamide	acetamides; anilide		low

Substance	Classes	Roles	Relationship Strength
protocatechuic acid	catechols; dihydroxybenzoic acid	antineoplastic agent; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; human xenobiotic metabolite; plant metabolite	low
aminolevulinic acid	4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid	antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite	low
gallic acid	trihydroxybenzoic acid	antineoplastic agent; antioxidant; apoptosis inducer; astringent; cyclooxygenase 2 inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; geroprotector; human xenobiotic metabolite; plant metabolite	low
perillic acid	alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid	antineoplastic agent; human metabolite; mouse metabolite	low
pk 11195	aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes	antineoplastic agent	low
pd 173074	aromatic amine; biaryl; dimethoxybenzene; pyridopyrimidine; tertiary amino compound; ureas	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist	low
aminopropionitrile	aminopropionitrile	antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite	low
5-(n,n-hexamethylene)amiloride	aromatic amine; azepanes; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines	antineoplastic agent; apoptosis inducer; odorant receptor antagonist; sodium channel blocker	low
7,8-dihydroxyflavone	dihydroxyflavone	antidepressant; antineoplastic agent; antioxidant; plant metabolite; tropomyosin-related kinase B receptor agonist	low
ro 48-8071	aromatic ether; aromatic ketone; bromobenzenes; monofluorobenzenes; olefinic compound; tertiary amino compound	antineoplastic agent; EC 5.4.99.7 (lanosterol synthase) inhibitor	low
rtki cpd	aromatic ether; monochlorobenzenes; quinazolines	antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector	low
alfuzosin	monocarboxylic acid amide; quinazolines; tetrahydrofuranol	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent	low
am 251	amidopiperidine; carbohydrazide; dichlorobenzene; organoiodine compound; pyrazoles	antidepressant; antineoplastic agent; apoptosis inducer; CB1 receptor antagonist	low
am 580	amidobenzoic acid; tetralins	antineoplastic agent; retinoic acid receptor alpha/beta agonist	low
aminoglutethimide	dicarboximide; piperidones; substituted aniline	adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor	low
amsacrine	acridines; aromatic ether; sulfonamide	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	low
anastrozole	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor	low
azathioprine	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug	low
azelaic acid	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite	low
berberine	alkaloid antibiotic; berberine alkaloid; botanical anti-fungal agent; organic heteropentacyclic compound	antilipemic drug; antineoplastic agent; antioxidant; EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor; EC 1.21.3.3 (reticuline oxidase) inhibitor; EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.11.10 (IkappaB kinase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; hypoglycemic agent; metabolite; potassium channel blocker	low
buformin	biguanides	antineoplastic agent; antiviral agent; geroprotector; hypoglycemic agent; radiosensitizing agent	low
busulfan	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent	low
camostat	benzoate ester; carboxylic ester; diester; guanidines; tertiary carboxamide	anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor	low
carmustine	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent	low
cgs 15943	aromatic amine; biaryl; furans; organochlorine compound; primary amino compound; quinazolines; triazoloquinazoline	adenosine A1 receptor antagonist; adenosine A2A receptor antagonist; antineoplastic agent; central nervous system stimulant	low
chelerythrine	benzophenanthridine alkaloid; organic cation	antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor	low
chlorambucil	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent	low
ci 994	acetamides; benzamides; substituted aniline	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor	low
ciglitazone	aromatic ether; thiazolidinone	antineoplastic agent; insulin-sensitizing drug	low
cl 387785	bromobenzenes; quinazolines; secondary carboxamide; ynamide	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist	low
clioquinol	monohydroxyquinoline; organochlorine compound; organoiodine compound	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; antiprotozoal drug; chelator; copper chelator	low
clofibric acid	aromatic ether; monocarboxylic acid; monochlorobenzenes	anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist	low
dacarbazine	imidazoles; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; carcinogenic agent; prodrug	low
dequalinium	quinolinium ion	antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor	low
3,3'-diindolylmethane	indoles	antineoplastic agent; P450 inhibitor	low
disulfiram	organic disulfide; organosulfur acaricide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor	low
doxazosin	aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines	alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent	low
ebselen	benzoselenazole	anti-inflammatory drug; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 3.5.4.1 (cytosine deaminase) inhibitor; EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor; enzyme mimic; ferroptosis inhibitor; genotoxin; hepatoprotective agent; neuroprotective agent; radical scavenger	low
ellipticine	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound; polycyclic heteroarene	antineoplastic agent; plant metabolite	low
embelin	dihydroxy-1,4-benzoquinones	antimicrobial agent; antineoplastic agent; hepatitis C protease inhibitor; plant metabolite	low
emodin	trihydroxyanthraquinone	antineoplastic agent; laxative; plant metabolite; tyrosine kinase inhibitor	low
etanidazole	C-nitro compound; imidazoles; monocarboxylic acid amide	alkylating agent; antineoplastic agent; prodrug; radiosensitizing agent	low
etidronate	1,1-bis(phosphonic acid)	antineoplastic agent; bone density conservation agent; chelator	low
fluorouracil	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic	low
flutamide	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent	low
miltefosine	phosphocholines; phospholipid	anti-inflammatory agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antiprotozoal drug; apoptosis inducer; immunomodulator; protein kinase inhibitor	low
beta-thujaplicin	cyclic ketone; enol; monoterpenoid	antibacterial agent; antifungal agent; antineoplastic agent; antiplasmodial drug; plant metabolite	low
hydroxyurea	one-carbon compound; ureas	antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent	low
ifosfamide	ifosfamides	alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic	low
indole-3-carbinol	indolyl alcohol	antineoplastic agent; plant metabolite	low
beta-lapachone	benzochromenone; orthoquinones	anti-inflammatory agent; antineoplastic agent; plant metabolite	low
leflunomide	(trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide	antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor	low
letrozole	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor	low
lomustine	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent	low
6-anilino-5,8-quinolinedione	aminoquinoline; aromatic amine; p-quinones; quinolone	antineoplastic agent; EC 4.6.1.2 (guanylate cyclase) inhibitor	low
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide	benzamides; hydroxamic acid; secondary carboxamide; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor	low
meclofenamic acid	aminobenzoic acid; organochlorine compound; secondary amino compound	analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug	low
vitamin k 3	1,4-naphthoquinones; vitamin K	angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical	low
methoxsalen	aromatic ether; psoralens	antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite	low
nocodazole	aromatic ketone; benzimidazoles; carbamate ester; thiophenes	antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator	low
midazolam	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative	low
mitoxantrone	dihydroxyanthraquinone	analgesic; antineoplastic agent	low
entinostat	benzamides; carbamate ester; primary amino compound; pyridines; substituted aniline	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor	low
n(1), n(12)-diethylspermine	polyazaalkane; secondary amino compound; substituted spermine; tetramine	antineoplastic agent	low
nilutamide	(trifluoromethyl)benzenes; C-nitro compound; imidazolidinone	androgen antagonist; antineoplastic agent	low
nortriptyline	organic tricyclic compound; secondary amine	adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite	low
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide	aromatic ether; C-nitro compound; sulfonamide	antineoplastic agent; cyclooxygenase 2 inhibitor	low
oxyphenbutazone	phenols; pyrazolidines	antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite	low
pd 158780	aromatic amine; bromobenzenes; diamine; pyridopyrimidine; secondary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
4-phenylbutyric acid	monocarboxylic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug	low
oxophenylarsine	arsine oxides	antineoplastic agent; apoptosis inducer; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor	low
phloretin	dihydrochalcones	antineoplastic agent; plant metabolite	low
pipobroman	N-acylpiperazine; organobromine compound; tertiary carboxamide	alkylating agent; antineoplastic agent	low
pj-34	phenanthridines; secondary carboxamide; tertiary amino compound	angiogenesis inhibitor; anti-inflammatory agent; antiatherosclerotic agent; antineoplastic agent; apoptosis inducer; cardioprotective agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; neuroprotective agent	low
procarbazine	benzamides; hydrazines	antineoplastic agent	low
salicylsalicylic acid	benzoate ester; benzoic acids; phenols; salicylates	antineoplastic agent; antirheumatic drug; EC 3.5.2.6 (beta-lactamase) inhibitor; hypoglycemic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug	low
semustine	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent	low
imatinib	aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines	antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor	low
streptonigrin	pyridines; quinolone	antimicrobial agent; antineoplastic agent	low
SU6656	oxindoles; sulfonamide	antineoplastic agent; Aurora kinase inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
vorinostat	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor	low
sulforaphane	isothiocyanate; sulfoxide	antineoplastic agent; antioxidant; EC 3.5.1.98 (histone deacetylase) inhibitor; plant metabolite	low
suramin	naphthalenesulfonic acid; phenylureas; secondary carboxamide	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug	low
temozolomide	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug	low
terazosin	furans; piperazines; primary amino compound; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent	low
2,2'-thiodiethanol	aliphatic sulfide; diol	antineoplastic agent; antioxidant; metabolite; solvent	low
tilorone	aromatic ether; diether; fluoren-9-ones; tertiary amino compound	anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist	low
troglitazone	chromanes; thiazolidinone	anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent	low
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole	aromatic primary alcohol; furans; indazoles	antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent	low
mitomycin	mitomycin	alkylating agent; antineoplastic agent	low
prednisolone	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic	low
floxuridine	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent	low
prednisone	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug	low
estrone	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite	low
azauridine	N-glycosyl-1,2,4-triazine	antimetabolite; antineoplastic agent; drug metabolite	low
mechlorethamine hydrochloride	hydrochloride	antineoplastic agent	low
allyl isothiocyanate	alkenyl isothiocyanate; isothiocyanate	antimicrobial agent; antineoplastic agent; apoptosis inducer; lachrymator; metabolite	low
vincristine	acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator	low
methyltestosterone	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; enone	anabolic agent; androgen; antineoplastic agent	low
dromostanolone	17beta-hydroxy steroid; 3-oxo-5alpha-steroid; anabolic androgenic steroid	anabolic agent; antineoplastic agent	low
bromodeoxyuridine	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent	low
tributyrin	butyrate ester; triglyceride	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor; prodrug; protective agent	low
ethyl methanesulfonate	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; genotoxin; mutagen; teratogenic agent	low
triaziquone	1,4-benzoquinones; aziridines	alkylating agent; antineoplastic agent	low
tubercidin	antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; ribonucleoside	antimetabolite; antineoplastic agent; bacterial metabolite	low
cytarabine	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent	low
trifluridine	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor	low
medroxyprogesterone acetate	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester	adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive	low
fluoxymesterone	11beta-hydroxy steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid; fluorinated steroid	anabolic agent; antineoplastic agent	low
rotenone	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin	low
acetopyrrothine	acetamides; dithiolopyrrolone antibiotic	angiogenesis inhibitor; antibacterial agent; antifungal agent; antineoplastic agent; bacterial metabolite; chelator; EC 2.7.7.6 (RNA polymerase) inhibitor; marine metabolite; protein synthesis inhibitor; toxin	low
phenformin	biguanides	antineoplastic agent; geroprotector; hypoglycemic agent	low
dibenzoylmethane	aromatic ketone; beta-diketone	antimutagen; antineoplastic agent; metabolite	low
suramin sodium	organic sodium salt	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug	low
pyrazolanthrone	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector	low
diazooxonorleucine	amino acid zwitterion; diazo compound; ketone; non-proteinogenic L-alpha-amino acid	analgesic; antibacterial agent; antimetabolite; antineoplastic agent; antiviral agent; apoptosis inducer; bacterial metabolite; EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor; EC 3.5.1.2 (glutaminase) inhibitor; EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor; EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor; EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor; glutamine antagonist	low
azacitidine	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent	low
diazomethane	diazo compound	alkylating agent; antineoplastic agent; carcinogenic agent; poison	low
procarbazine hydrochloride	hydrochloride	antineoplastic agent	low
naphthazarin	hydroxy-1,4-naphthoquinone	acaricide; antibacterial agent; antineoplastic agent; apoptosis inducer; geroprotector; plant metabolite	low
liriodenine	alkaloid antibiotic; cyclic ketone; organic heteropentacyclic compound; oxacycle; oxoaporphine alkaloid	antifungal agent; antimicrobial agent; antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite	low
lucanthone	thioxanthenes	adjuvant; antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; mutagen; photosensitizing agent; prodrug; schistosomicide drug	low
plumbagin	hydroxy-1,4-naphthoquinone; phenols	anticoagulant; antineoplastic agent; immunological adjuvant; metabolite	low
aloe emodin	aromatic primary alcohol; dihydroxyanthraquinone	antineoplastic agent; plant metabolite	low
emetine	isoquinoline alkaloid; pyridoisoquinoline	antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor	low
thymoquinone	1,4-benzoquinones	adjuvant; anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; cardioprotective agent; plant metabolite	low
podophyllotoxin	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator	low
physcione	dihydroxyanthraquinone	anti-inflammatory agent; antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; metabolite	low
dequalinium chloride	organic chloride salt	antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor	low
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol	terpineol; tertiary alcohol	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiparasitic agent; apoptosis inducer; plant metabolite; volatile oil component	low
formestane	17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor	low
chlorotrianisene	chloroalkene	antineoplastic agent; estrogen receptor modulator; xenoestrogen	low
megestrol acetate	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester	antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive	low
toyocamycin	antibiotic antifungal agent; N-glycosylpyrrolopyrimidine; nitrile; ribonucleoside	antimetabolite; antineoplastic agent; apoptosis inducer; bacterial metabolite	low
2-hydroxyacetanilide	acetamides; phenols	anti-inflammatory agent; antineoplastic agent; antirheumatic drug; apoptosis inducer; platelet aggregation inhibitor; xenobiotic metabolite	low
methoxyacetic acid	ether; monocarboxylic acid	antineoplastic agent; apoptosis inducer; human xenobiotic metabolite; mutagen	low
hadacidin	aldehyde; monocarboxylic acid; N-hydroxy-alpha-amino-acid	antimicrobial agent; antineoplastic agent; Penicillium metabolite; teratogenic agent	low
2-fluoroadenine	organofluorine compound; purines	antineoplastic agent	low
tetramethylpyrazine	alkaloid; pyrazines	antineoplastic agent; apoptosis inhibitor; bacterial metabolite; neuroprotective agent; platelet aggregation inhibitor; vasodilator agent	low
guanazole	aromatic amine; triazoles	antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor	low
diallyl trisulfide	organic trisulfide	anti-inflammatory agent; antilipemic drug; antineoplastic agent; antioxidant; antiprotozoal drug; apoptosis inducer; estrogen receptor antagonist; insecticide; platelet aggregation inhibitor; vasodilator agent	low
diallyl disulfide	organic disulfide	antifungal agent; antineoplastic agent; plant metabolite	low
phenethyl isothiocyanate	isothiocyanate	antineoplastic agent; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; metabolite	low
glaucine	aporphine alkaloid; organic heterotetracyclic compound; polyether; tertiary amino compound	antibacterial agent; antineoplastic agent; antitussive; muscle relaxant; NF-kappaB inhibitor; plant metabolite; platelet aggregation inhibitor; rat metabolite	low
acadesine	1-ribosylimidazolecarboxamide; aminoimidazole; nucleoside analogue	antineoplastic agent; platelet aggregation inhibitor	low
doxifluridine	organofluorine compound; pyrimidine 5'-deoxyribonucleoside	antimetabolite; antineoplastic agent; prodrug	low
megestrol	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone	antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive	low
mitomycin a	ether; mitomycin	alkylating agent; antimicrobial agent; antineoplastic agent; toxin	low
cladribine	organochlorine compound; purine 2'-deoxyribonucleoside	antineoplastic agent; immunosuppressive agent	low
tabersonine	alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound	antineoplastic agent; metabolite	low
vidarabine	beta-D-arabinoside; purine nucleoside	antineoplastic agent; bacterial metabolite; nucleoside antibiotic	low
cyclophosphamide	hydrate	alkylating agent; antineoplastic agent; carcinogenic agent; immunosuppressive agent	low
helenalin	cyclic ketone; gamma-lactone; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone	anti-inflammatory agent; antineoplastic agent; metabolite; plant metabolite	low
etidronate disodium	organic sodium salt	antineoplastic agent; bone density conservation agent; chelator	low
camptothecin	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite	low
isopentenyladenosine	N-ribosyl-N(6)-isopentenyladenine; nucleoside analogue	antineoplastic agent; plant growth regulator; plant metabolite	low
nsc-145,668	hydrochloride	antimetabolite; antineoplastic agent	low
ancitabine	diol; organic heterotricyclic compound	antimetabolite; antineoplastic agent; prodrug	low
clodronic acid	1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound	antineoplastic agent; bone density conservation agent	low
tetradecanoylphorbol acetate	acetate ester; diester; phorbol ester; tertiary alpha-hydroxy ketone; tetradecanoate ester	antineoplastic agent; apoptosis inducer; carcinogenic agent; mitogen; plant metabolite; protein kinase C agonist; reactive oxygen species generator	low
streptozocin	N-acylglucosamine; N-nitrosoureas	antimicrobial agent; antineoplastic agent; DNA synthesis inhibitor; metabolite	low
daunorubicin	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite	low
fludarabine phosphate	nucleoside analogue; organofluorine compound; purine arabinonucleoside monophosphate	antimetabolite; antineoplastic agent; antiviral agent; DNA synthesis inhibitor; immunosuppressive agent; prodrug	low
2,6-diaminopurine	2,6-diaminopurines; primary amino compound	antineoplastic agent	low
silybin	aromatic ether; benzodioxine; flavonolignan; polyphenol; secondary alpha-hydroxy ketone	antineoplastic agent; antioxidant; hepatoprotective agent; plant metabolite	low
glucaric acid	glucaric acid	antineoplastic agent	low
paclitaxel	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent	low
etoposide	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor	low
promegestone	20-oxo steroid; 3-oxo-Delta(4) steroid	antineoplastic agent; progesterone receptor agonist; progestin	low
perfosfamide	nitrogen mustard; organochlorine compound; peroxol; phosphorodiamide	alkylating agent; antineoplastic agent; drug allergen; immunosuppressive agent; metabolite	low
nimustine	aminopyrimidine; N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent	low
lonidamine	dichlorobenzene; indazoles; monocarboxylic acid	antineoplastic agent; antispermatogenic agent; EC 2.7.1.1 (hexokinase) inhibitor; geroprotector	low
vindesine	methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; primary carboxamide; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent	low
epirubicin	aminoglycoside; anthracycline antibiotic; anthracycline; deoxy hexoside; monosaccharide derivative; p-quinones; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	antimicrobial agent; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	low
diaziquone	1,4-benzoquinones; aziridines; carbamate ester; enamine	alkylating agent; antineoplastic agent	low
midazolam hydrochloride	hydrochloride; imidazobenzodiazepine	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative	low
oltipraz	1,2-dithiole; pyrazines	angiogenesis modulating agent; antimutagen; antineoplastic agent; antioxidant; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; neurotoxin; protective agent; schistosomicide drug	low
fazarabine	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent	low
mitoxantrone hydrochloride	hydrochloride	antineoplastic agent	low
bisantrene	anthracenes; hydrazone; imidazolidines	antineoplastic agent	low
swainsonine	indolizidine alkaloid	antineoplastic agent; EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor; immunological adjuvant; plant metabolite	low
lovastatin	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug	low
cabergoline	N-acylurea	antineoplastic agent; antiparkinson drug; dopamine agonist	low
nitrogenase stabilizing-protective protein, bacteria	N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide	androgen antagonist; antineoplastic agent	low
bmy 25067	C-nitro compound; organic disulfide	antineoplastic agent	low
brequinar	biphenyls; monocarboxylic acid; monofluorobenzenes; quinolinemonocarboxylic acid	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor	low
imiquimod	imidazoquinoline	antineoplastic agent; interferon inducer	low
aromasil	17-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor; environmental contaminant; xenobiotic	low
cidofovir anhydrous	phosphonic acids; pyrimidone	anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent	low
topotecan	pyranoindolizinoquinoline	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor	low
gemcitabine hydrochloride	hydrochloride; organofluorine compound	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral drug; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; immunosuppressive agent; radiosensitizing agent	low
gemcitabine	organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic	low
irinotecan	carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug	low
capecitabine	carbamate ester; cytidines; organofluorine compound	antimetabolite; antineoplastic agent; prodrug	low
nelfinavir mesylate	methanesulfonate salt	antineoplastic agent; HIV protease inhibitor	low
nelfinavir	aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound	antineoplastic agent; HIV protease inhibitor	low
betulinic acid	hydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-HIV agent; anti-inflammatory agent; antimalarial; antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; plant metabolite	low
baicalin	dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative	antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug	low
ro 5-3335	1,4-benzodiazepinone; organochlorine compound; pyrroles	anti-HIV-1 agent; antineoplastic agent; HIV-1 Tat inhibitor; RUNX1 inhibitor	low
plerixafor	azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound	anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant	low
epigallocatechin gallate	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite	low
salvin	abietane diterpenoid; carbotricyclic compound; catechols; monocarboxylic acid	angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; food preservative; HIV protease inhibitor; plant metabolite	low
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose	gallate ester; galloyl beta-D-glucose	anti-inflammatory agent; antineoplastic agent; geroprotector; hepatoprotective agent; plant metabolite; radiation protective agent; radical scavenger	low
pyrrolidine dithiocarbamate	dithiocarbamic acids; pyrrolidines	anticonvulsant; antineoplastic agent; geroprotector; neuroprotective agent; NF-kappaB inhibitor; radical scavenger	low
triptonide	butenolide; cyclic ketone; diterpene triepoxide; organic heteroheptacyclic compound	anti-inflammatory agent; antineoplastic agent; immunosuppressive agent	low
3'-deoxyadenosine 5'-triphosphate	purine ribonucleoside 5'-triphosphate	antifungal agent; antimetabolite; antineoplastic agent; antiviral agent	low
2-methoxyestradiol	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite	low
toxoflavin	carbonyl compound; pyrimidotriazine	antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; toxin; virulence factor; Wnt signalling inhibitor	low
lupulon	beta-bitter acid	angiogenesis inhibitor; antimicrobial agent; antineoplastic agent; apoptosis inducer	low
pinocembrin	(2S)-flavan-4-one; dihydroxyflavanone	antineoplastic agent; antioxidant; metabolite; neuroprotective agent; vasodilator agent	low
tangeretin	pentamethoxyflavone	antineoplastic agent; plant metabolite	low
ethinylestradiol-3-sulfate	17beta-hydroxy steroid; steroid sulfate	antineoplastic agent; estrogen	low
lonazolac	monocarboxylic acid; monochlorobenzenes; pyrazoles	antineoplastic agent; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
bromopyruvate	2-oxo monocarboxylic acid; organobromine compound; oxo carboxylic acid	alkylating agent; antineoplastic agent	low
enrofloxacin	cyclopropanes; N-alkylpiperazine; N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone	antibacterial agent; antimicrobial agent; antineoplastic agent	low
dexrazoxane	razoxane	antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent	low
masoprocol	nordihydroguaiaretic acid	antineoplastic agent; hypoglycemic agent; lipoxygenase inhibitor; metabolite	low
dw a 2114r	platinum coordination entity; pyrrolidines	antineoplastic agent	low
prednisolone phosphate	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; glucocorticoid; steroid phosphate; tertiary alpha-hydroxy ketone	anti-inflammatory agent; antineoplastic agent; glucocorticoid receptor agonist; prodrug	low
hesperetin	3'-hydroxyflavanones; 4'-methoxyflavanones; monomethoxyflavanone; trihydroxyflavanone	antineoplastic agent; antioxidant; plant metabolite	low
sesamin	benzodioxoles; furofuran; lignan	antineoplastic agent; neuroprotective agent; plant metabolite	low
betulin	diol; pentacyclic triterpenoid	analgesic; anti-inflammatory agent; antineoplastic agent; antiviral agent; metabolite	low
nobiletin	methoxyflavone	antineoplastic agent; plant metabolite	low
picropodophyllin	furonaphthodioxole; lignan; organic heterotetracyclic compound	antineoplastic agent; insulin-like growth factor receptor 1 antagonist; plant metabolite; tyrosine kinase inhibitor	low
alantolactone	naphthofuran; olefinic compound; sesquiterpene lactone	antineoplastic agent; apoptosis inducer; plant metabolite	low
kaurenoic acid	ent-kaurane diterpenoid	anti-HIV-1 agent; antineoplastic agent; plant metabolite	low
dehydrocostus lactone	gamma-lactone; guaiane sesquiterpenoid; organic heterotricyclic compound; sesquiterpene lactone	antimycobacterial drug; antineoplastic agent; apoptosis inducer; cyclooxygenase 2 inhibitor; metabolite; trypanocidal drug	low
xanthomicrol	dihydroxyflavone; trimethoxyflavone	antineoplastic agent; plant metabolite	low
voacamine	alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; plant metabolite	low
brazilin	catechols; organic heterotetracyclic compound; tertiary alcohol	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; apoptosis inducer; biological pigment; hepatoprotective agent; histological dye; NF-kappaB inhibitor; plant metabolite	low
uvaretin	aromatic ether; dihydrochalcones; polyketide; resorcinol	antineoplastic agent; plant metabolite	low
fangchinoline	aromatic ether; bisbenzylisoquinoline alkaloid; macrocycle	anti-HIV-1 agent; anti-inflammatory agent; antineoplastic agent; antioxidant; neuroprotective agent; plant metabolite	low
maslinic acid	dihydroxy monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory agent; antineoplastic agent; antioxidant; plant metabolite	low
tetrazolium violet	organic chloride salt	antineoplastic agent; apoptosis inducer; dye	low
irinotecan hydrochloride	hydrochloride	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug	low
5-(3-methyl-1-triazeno)imidazole-4-carboxamide	imidazoles; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent	low
hydroxyguanidine	guanidines; one-carbon compound	antineoplastic agent; antiviral agent	low
cryptolepine	indole alkaloid; organic heterotetracyclic compound; organonitrogen heterocyclic compound	anti-inflammatory agent; antimalarial; antineoplastic agent; cysteine protease inhibitor; plant metabolite	low
bexarotene	benzoic acids; naphthalenes; retinoid	antineoplastic agent	low
3,4-dihydroxyphenylethanol	catechols; primary alcohol	antineoplastic agent; antioxidant; metabolite	low
terreic acid	arene epoxide; diketone; monohydroxy-1,4-benzoquinones; tertiary alpha-hydroxy ketone	antibacterial agent; antineoplastic agent; Aspergillus metabolite; EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; mycotoxin	low
4-methylumbelliferyl glucuronide	beta-D-glucosiduronic acid; coumarins; monosaccharide derivative	antineoplastic agent; chromogenic compound; hyaluronan synthesis inhibitor	low
9-hydroxyellipticine	organic heterotetracyclic compound; organonitrogen heterocyclic compound	antineoplastic agent	low
nimustine	hydrochloride	antineoplastic agent	low
beta-peltatin	furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols	antineoplastic agent; plant metabolite	low
alpha-peltatin	furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols	antineoplastic agent; metabolite	low
cryptopleurine	alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound	antineoplastic agent; antiviral agent; protein synthesis inhibitor	low
sugiol	abietane diterpenoid; carbotricyclic compound; cyclic terpene ketone; meroterpenoid; phenols	antineoplastic agent; antioxidant; antiviral agent; plant metabolite; radical scavenger	low
eupatorin	dihydroxyflavone; polyphenol; trimethoxyflavone	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; Brassica napus metabolite; calcium channel blocker; P450 inhibitor; vasodilator agent	low
1-methyltryptophan	non-proteinogenic alpha-amino acid; tryptophan derivative	antineoplastic agent; EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor	low
atromentin	dihydroxy-1,4-benzoquinones; polyphenol	antibacterial agent; anticoagulant; antineoplastic agent; apoptosis inducer; biological pigment; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; fungal metabolite	low
diosgenin	3beta-sterol; hexacyclic triterpenoid; sapogenin; spiroketal	antineoplastic agent; antiviral agent; apoptosis inducer; metabolite	low
alpha-glutamyltryptophan	dipeptide	angiogenesis modulating agent; antineoplastic agent; immunomodulator; metabolite	low
fulvestrant	17beta-hydroxy steroid; 3-hydroxy steroid; organofluorine compound; sulfoxide	antineoplastic agent; estrogen antagonist; estrogen receptor antagonist	low
ici 164384	17beta-hydroxy steroid; 3-hydroxy steroid; tertiary carboxamide	anti-estrogen; antineoplastic agent; estrogen receptor antagonist	low
sn 38	delta-lactone; phenols; pyranoindolizinoquinoline; tertiary alcohol	antineoplastic agent; apoptosis inducer; drug metabolite; EC 5.99.1.2 (DNA topoisomerase) inhibitor	low
hc toxin	homodetic cyclic peptide; tetrapeptide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; metabolite; phytotoxin	low
deguelin	aromatic ether; diether; organic heteropentacyclic compound; rotenones	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor; plant metabolite	low
fingolimod	aminodiol; primary amino compound	antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist	low
cafestol	diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; plant metabolite	low
tamibarotene	dicarboxylic acid monoamide; retinoid; tetralins	antineoplastic agent; retinoic acid receptor alpha/beta agonist	low
ecteinascidin 743	acetate ester; azaspiro compound; bridged compound; hemiaminal; isoquinoline alkaloid; lactone; organic heteropolycyclic compound; organic sulfide; oxaspiro compound; polyphenol; tertiary amino compound	alkylating agent; angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; marine metabolite	low
homoorientin	flavone C-glycoside; tetrahydroxyflavone	antineoplastic agent; radical scavenger	low
kahweol	diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite	low
selenomethylselenocysteine	non-proteinogenic alpha-amino acid; selenocysteines	antineoplastic agent; human metabolite	low
tephrosin	aromatic ether; cyclic ketone; organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; pesticide	low
5-(tetradecyloxy)-2-furancarboxylic acid	aromatic ether; furoic acid	antineoplastic agent; apoptosis inducer; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; PPARalpha agonist	low
sc 58125	organofluorine compound; pyrazoles; sulfone	antineoplastic agent; cyclooxygenase 2 inhibitor	low
marimastat	hydroxamic acid; secondary carboxamide	antineoplastic agent; matrix metalloproteinase inhibitor	low
1'-acetoxychavicol acetate	acetate ester; phenylpropanoid	antineoplastic agent; NF-kappaB inhibitor; plant metabolite	low
clofarabine	adenosines; organofluorine compound	antimetabolite; antineoplastic agent	low
dioscin	hexacyclic triterpenoid; spiroketal; spirostanyl glycoside; trisaccharide derivative	anti-inflammatory agent; antifungal agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 1.14.18.1 (tyrosinase) inhibitor; hepatoprotective agent; metabolite	low
ginsenoside rh2	12beta-hydroxy steroid; 20-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	antineoplastic agent; apoptosis inducer; bone density conservation agent; cardioprotective agent; hepatoprotective agent; plant metabolite	low
trapoxin a	epoxide; homodetic cyclic peptide; ketone	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; fungal metabolite	low
celastrol	monocarboxylic acid; pentacyclic triterpenoid	anti-inflammatory drug; antineoplastic agent; antioxidant; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Hsp90 inhibitor; metabolite	low
4'-demethylepipodophyllotoxin	furonaphthodioxole; organic heterotetracyclic compound; phenols	antineoplastic agent	low
imatinib mesylate	methanesulfonate salt	anticoronaviral agent; antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor	low
aminolevulinic acid hydrochloride	hydrochloride	antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug	low
gefitinib	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist	low
cgp 42112a	benzyl ester; oligopeptide; pyridinecarboxamide	angiotensin receptor agonist; anti-inflammatory agent; antineoplastic agent; neuroprotective agent; vasodilator agent	low
vadimezan	monocarboxylic acid; xanthones	antineoplastic agent	low
rubimaillin	benzochromene; methyl ester; phenols	acyl-CoA:cholesterol acyltransferase 2 inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; neuroprotective agent; NF-kappaB inhibitor; plant metabolite	low
4-carbamoylimidazolium 5-olate	hydroxyimidazole; monocarboxylic acid amide	antineoplastic agent	low
nsc 224070	1,4-benzoquinones; aziridines; enamine; primary alcohol; secondary amino compound	alkylating agent; antineoplastic agent	low
psorospermin	epoxide; organic heterotetracyclic compound; xanthones	antineoplastic agent; plant metabolite	low
ay 25545	acetate ester; aromatic ether; C-glycosyl compound; naphthoisochromene; olefinic compound; phenols; tertiary amine	antimicrobial agent; antineoplastic agent; bacterial metabolite	low
methotrexate	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent	low
3,7-dihydroxytropolone	alpha-hydroxy ketone; cyclic ketone; enol; triol	antineoplastic agent; bacterial metabolite	low
delphinidin	5-hydroxyanthocyanidin	antineoplastic agent; biological pigment; plant metabolite	low
tamsulosin	5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide	alpha-adrenergic antagonist; antineoplastic agent	low
saintopin	tetracenequinones	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; fungal metabolite; intercalator	low
6-bromo-3-(bromomethyl)-7-methyl-2,3,7-trichloro-1-octene	monoterpenoid; organobromine compound; organochlorine compound	algal metabolite; antineoplastic agent; marine metabolite	low
ilomastat	hydroxamic acid; L-tryptophan derivative; N-acyl-amino acid	anti-inflammatory agent; antibacterial agent; antineoplastic agent; EC 3.4.24.24 (gelatinase A) inhibitor; neuroprotective agent	low
abiraterone	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; pyridines	antineoplastic agent; EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor	low
yakuchinone-a	ketone; monomethoxybenzene; phenols	antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite	low
pomalidomide	aromatic amine; dicarboximide; isoindoles; piperidones	angiogenesis inhibitor; antineoplastic agent; immunomodulator	low
tempol	aminoxyls; hydroxypiperidine	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; catalyst; hepatoprotective agent; nephroprotective agent; neuroprotective agent; radical scavenger	low
selenomethylselenocysteine	amino acid zwitterion; L-selenocysteine derivative; non-proteinogenic L-alpha-amino acid; Se-methylselenocysteine	antineoplastic agent	low
10-propargyl-10-deazaaminopterin	N-acyl-L-glutamic acid; pteridines; terminal acetylenic compound	antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor	low
docetaxel	hydrate; secondary alpha-hydroxy ketone	antineoplastic agent	low
docetaxel anhydrous	secondary alpha-hydroxy ketone; tetracyclic diterpenoid	antimalarial; antineoplastic agent; photosensitizing agent	low
lonafarnib	4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide	antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor	low
aclacinomycin	aminoglycoside; anthracycline; deoxy hexoside; methyl ester; monosaccharide derivative; phenols; polyketide; tertiary alcohol; tetracenequinones; zwitterion	antimicrobial agent; antineoplastic agent; metabolite	low
6-azauridine-5'-monophosphate	N-glycosyl-1,2,4-triazine; nucleoside monophosphate analogue	antineoplastic agent; EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor	low
ptk 787	succinate salt	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist	low
vatalanib	monochlorobenzenes; phthalazines; pyridines; secondary amino compound	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist	low
cyc 682	nitrile; nucleoside analogue; secondary carboxamide	antimetabolite; antineoplastic agent; DNA synthesis inhibitor; prodrug	low
canertinib	monochlorobenzenes; morpholines; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor	low
methyl 5-aminolevulinate hydrochloride	hydrochloride	antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug	low
methyl 5-aminolevulinate	delta-amino acid ester	antineoplastic agent; dermatologic drug; photosensitizing agent; prodrug	low
tipifarnib	imidazoles; monochlorobenzenes; primary amino compound; quinolone	antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor	low
aklavinone	anthracycline; methyl ester; tertiary alcohol; tetracenequinones	antineoplastic agent	low
actinodaphine	aporphine alkaloid; aromatic ether; organic heteropentacyclic compound; phenols; secondary amino compound	antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; plant metabolite; platelet aggregation inhibitor; topoisomerase inhibitor	low
i-677	L-serine derivative; non-proteinogenic L-alpha-amino acid	antimetabolite; antimicrobial agent; antineoplastic agent; metabolite	low
anonaine	aporphine alkaloid; organic heteropentacyclic compound; oxacycle	antineoplastic agent; antiplasmodial drug; trypanocidal drug	low
4'-demethyldesoxypodophyllotoxin	furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes; phenols	antineoplastic agent; antioxidant; immunosuppressive agent; plant metabolite	low
salvigenin	monohydroxyflavone; trimethoxyflavone	antilipemic drug; antineoplastic agent; apoptosis inhibitor; autophagy inducer; hypoglycemic agent; immunomodulator; neuroprotective agent; plant metabolite	low
deferrioxamine e	cyclic desferrioxamine; cyclic hydroxamic acid; macrocycle	antineoplastic agent; bacterial metabolite; marine metabolite; siderophore	low
ampelopsin	dihydromyricetin; secondary alpha-hydroxy ketone	antineoplastic agent; antioxidant; metabolite	low
methylselenic acid	one-carbon compound; organoselenium compound	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; human xenobiotic metabolite	low
acetyl aleuritolic acid	acetate ester; monocarboxylic acid; pentacyclic triterpenoid	antineoplastic agent; plant metabolite	low
withanolide d	20-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; secondary alcohol; tertiary alcohol; withanolide	antineoplastic agent	low
myricanone	aromatic ether; cyclic ketone; diarylheptanoid; methoxybenzenes; phenols	antineoplastic agent; plant metabolite	low
cirsilineol	dihydroxyflavone; trimethoxyflavone	antineoplastic agent; plant metabolite	low
pannarin	aldehyde; aromatic ether; depsidones; organic heterotricyclic compound; organochlorine compound; phenols	antimicrobial agent; antineoplastic agent; apoptosis inducer; lichen metabolite	low
6-methylthiohexyl isothiocyanate	isothiocyanate; methyl sulfide	antineoplastic agent; Arabidopsis thaliana metabolite; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; neuroprotective agent	low
pectolinarin	dimethoxyflavone; disaccharide derivative; glycosyloxyflavone; monohydroxyflavanone; rutinoside	anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; plant metabolite	low
albicanol	carbobicyclic compound; homoallylic alcohol; primary alcohol; sesquiterpenoid	antifeedant; antifungal agent; antineoplastic agent; fungal metabolite; mammalian metabolite; marine metabolite; plant metabolite	low
5-o-methylembelin	enol ether; monohydroxy-1,4-benzoquinones	antileishmanial agent; antineoplastic agent; hepatitis C protease inhibitor; metabolite	low
asperphenamate	benzamides; carboxylic ester; L-phenylalanine derivative	antineoplastic agent	low
erlotinib	aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound	antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor	low
erlotinib hydrochloride	hydrochloride; terminal acetylenic compound	antineoplastic agent; protein kinase inhibitor	low
corynoline	benzophenanthridine alkaloid; cyclic acetal; isoquinolines; organic heterohexacyclic compound; secondary alcohol	antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; hepatoprotective agent; metabolite	low
helioxanthin	benzodioxoles; furonaphthodioxole; lignan	anti-HBV agent; antineoplastic agent; plant metabolite	low
top 53	furonaphthodioxole; gamma-lactone; organic heterotetracyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	low
5-heptadecylresorcinol	5-alkylresorcinol	antineoplastic agent; plant metabolite	low
minquartynoic acid	acetylenic fatty acid; hydroxy polyunsaturated fatty acid; long-chain fatty acid; straight-chain fatty acid; tetrayne	antimalarial; antineoplastic agent; antiviral agent	low
scutellarin	glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	antineoplastic agent; proteasome inhibitor	low
ergolide	acetate ester; cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone	anti-inflammatory agent; antineoplastic agent; metabolite; NF-kappaB inhibitor; plant metabolite	low
2,5-dihydroxybenzyl alcohol	aromatic primary alcohol; phenols	antineoplastic agent; antioxidant; apoptosis inhibitor; fungal metabolite	low
chrysosplenol c	trihydroxyflavone; trimethoxyflavone	antineoplastic agent; antiviral agent; plant metabolite	low
lanperisone	2-methyl-3-(pyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-one	antineoplastic agent; calcium channel blocker; ferroptosis inducer; muscle relaxant; voltage-gated sodium channel blocker	low
(-)-gallocatechin gallate	catechin; gallate ester; polyphenol	antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human xenobiotic metabolite; plant metabolite	low
orantinib	monocarboxylic acid; oxindoles; pyrroles	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist	low
lapatinib	furans; organochlorine compound; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor	low
firocoxib	butenolide; cyclopropanes; enol ether; sulfone	antineoplastic agent; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
2-(4-morpholinoanilino)-6-cyclohexylaminopurine	morpholines; purines; secondary amino compound; tertiary amino compound	adenosine A3 receptor antagonist; antineoplastic agent; Aurora kinase inhibitor; cell dedifferentiation agent	low
sorafenib	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide	angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor	low
lenalidomide	aromatic amine; dicarboximide; isoindoles; piperidones	angiogenesis inhibitor; antineoplastic agent; immunomodulator	low
lasofoxifene	aromatic ether; N-alkylpyrrolidine; naphthols; tetralins	antineoplastic agent; bone density conservation agent; cardioprotective agent; estrogen receptor agonist; estrogen receptor antagonist	low
l 778,123	hydrochloride	antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor; radiosensitizing agent	low
l 778,123	imidazoles; monochlorobenzenes; nitrile; piperazinone; tertiary amino compound	antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor	low
n-(3-chloro-7-indolyl)-1,4-benzenedisulphonamide	chloroindole; organochlorine compound; sulfonamide	antineoplastic agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor	low
diflomotecan	epsilon-lactone; organic heteropentacyclic compound; organofluorine compound; organonitrogen heterocyclic compound; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor	low
demecolcine	alkaloid; secondary amino compound	antineoplastic agent; microtubule-destabilising agent	low
dromostanolone propionate	3-oxo-5alpha-steroid; steroid ester	antineoplastic agent	low
vincaleukoblastine	acetate ester; indole alkaloid fundamental parent; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; immunosuppressive agent; microtubule-destabilising agent; plant metabolite	low
vincristine sulfate	organic sulfate salt	antineoplastic agent; geroprotector	low
anisomycin	monohydroxypyrrolidine; organonitrogen heterocyclic antibiotic	anticoronaviral agent; antimicrobial agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; DNA synthesis inhibitor; protein synthesis inhibitor	low
estramustine	17beta-hydroxy steroid; carbamate ester; organochlorine compound	alkylating agent; antineoplastic agent; radiation protective agent	low
withaferin a	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide	antineoplastic agent; apoptosis inducer	low
noscapine	aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound	antineoplastic agent; antitussive; apoptosis inducer; plant metabolite	low
homoharringtonine	alkaloid ester; enol ether; organic heteropentacyclic compound; tertiary alcohol	anticoronaviral agent; antineoplastic agent; apoptosis inducer; protein synthesis inhibitor	low
acivicin	isoxazoles; non-proteinogenic L-alpha-amino acid; organochlorine compound	antileishmanial agent; antimetabolite; antimicrobial agent; antineoplastic agent; EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor; glutamine antagonist; metabolite	low
elesclomol	carbohydrazide; thiocarbonyl compound	antineoplastic agent; apoptosis inducer	low
wortmannin	acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound	anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent	low
rocaglamide	monocarboxylic acid amide; monomethoxybenzene; organic heterotricyclic compound	antileishmanial agent; antineoplastic agent; metabolite	low
anthricin	furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes	antineoplastic agent; apoptosis inducer; plant metabolite	low
acronine	acridone derivatives; alkaloid	antineoplastic agent; metabolite	low
taiwanin c	benzodioxoles; furonaphthodioxole; lignan	antineoplastic agent; plant metabolite; platelet aggregation inhibitor	low
o-(chloroacetylcarbamoyl)fumagillol	carbamate ester; organochlorine compound; semisynthetic derivative; sesquiterpenoid; spiro-epoxide	angiogenesis inhibitor; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; methionine aminopeptidase 2 inhibitor; retinoic acid receptor alpha antagonist	low
bortezomib	amino acid amide; L-phenylalanine derivative; pyrazines	antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor	low
gant 61	aminal; dialkylarylamine; pyridines; substituted aniline; tertiary amino compound	antineoplastic agent; apoptosis inducer; glioma-associated oncogene inhibitor; Hedgehog signaling pathway inhibitor	low
carnosine	amino acid zwitterion; dipeptide	anticonvulsant; antineoplastic agent; antioxidant; Daphnia magna metabolite; geroprotector; human metabolite; mouse metabolite; neuroprotective agent	low
puromycin	puromycins	antiinfective agent; antimicrobial agent; antineoplastic agent; EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor; EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor; nucleoside antibiotic; protein synthesis inhibitor	low
pentostatin	coformycins	antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor	low
canaline	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	antimetabolite; antineoplastic agent; phytogenic insecticide; plant metabolite	low
hippeastrine	delta-lactone; indole alkaloid; organic heteropentacyclic compound; secondary alcohol	antineoplastic agent; metabolite	low
peonidin	5-hydroxyanthocyanidin	antineoplastic agent; antioxidant; apoptosis inducer; metabolite	low
glaucarubinone	carboxylic ester; organic heteropentacyclic compound; quassinoid; secondary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone; tetrol	antimalarial; antineoplastic agent; geroprotector; plant metabolite	low
helveticoside	14beta-hydroxy steroid; 5beta-hydroxy steroid; cardenolide glycoside; digitoxoside; monosaccharide derivative; steroid aldehyde; steroid lactone	antineoplastic agent; apoptosis inducer; plant metabolite	low
ginsenoside re	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	anti-inflammatory agent; antineoplastic agent; antioxidant; nephroprotective agent; neuroprotective agent; plant metabolite	low
ginsenoside rf	12beta-hydroxy steroid; 20-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; disaccharide derivative; ginsenoside; tetracyclic triterpenoid	antineoplastic agent; apoptosis inducer; plant metabolite	low
ferruginol	abietane diterpenoid; carbotricyclic compound; meroterpenoid; phenols	antibacterial agent; antineoplastic agent; plant metabolite; protective agent	low
stevioside	beta-D-glucoside; bridged compound; diterpene glycoside; ent-kaurane diterpenoid; tetracyclic diterpenoid	anti-inflammatory agent; antineoplastic agent; antioxidant; hypoglycemic agent; plant metabolite; sweetening agent	low
decursinol	cyclic ether; delta-lactone; organic heterotricyclic compound; secondary alcohol	analgesic; antineoplastic agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite	low
naringin	(2S)-flavan-4-one; 4'-hydroxyflavanones; dihydroxyflavanone; disaccharide derivative; neohesperidoside	anti-inflammatory agent; antineoplastic agent; metabolite	low
eugeniin	beta-D-glucoside; ellagitannin; gallate ester; lactone	anti-HSV-1 agent; antifungal agent; antineoplastic agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite	low
knipholone	aromatic ketone; dihydroxyanthraquinone; methoxybenzenes; methyl ketone; polyphenol; resorcinols	antineoplastic agent; antioxidant; antiplasmodial drug; leukotriene antagonist; metabolite	low
gingerol	beta-hydroxy ketone; guaiacols	antineoplastic agent; plant metabolite	low
mucronulatol	hydroxyisoflavans; methoxyisoflavan	antineoplastic agent; plant metabolite	low
syringaresinol	syringaresinol	antineoplastic agent	low
enkephalin, methionine	pentapeptide; peptide zwitterion	analgesic; antineoplastic agent; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist	low
devazepide	1,4-benzodiazepinone; indolecarboxamide	antineoplastic agent; apoptosis inducer; cholecystokinin antagonist; gastrointestinal drug	low
sodium arsenite	arsenic molecular entity; inorganic sodium salt	antibacterial agent; antifungal agent; antineoplastic agent; carcinogenic agent; herbicide; insecticide; rodenticide	low
surfactin c	cyclodepsipeptide; lipopeptide antibiotic; macrocyclic lactone	antibacterial agent; antifungal agent; antineoplastic agent; antiviral agent; metabolite; platelet aggregation inhibitor; surfactant	low
kerriamycin b	angucycline antibiotic	antineoplastic agent	low
carubicin	aminoglycoside antibiotic; anthracycline antibiotic; p-quinones; tertiary alpha-hydroxy ketone; tetracenequinones	antineoplastic agent; apoptosis inducer	low
tretinoin	retinoic acid; vitamin A	anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule	low
docosahexaenoate	docosahexaenoic acid; omega-3 fatty acid	algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical	low
eicosapentaenoic acid	icosapentaenoic acid; omega-3 fatty acid	anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical	low
mycophenolic acid	2-benzofurans; gamma-lactone; monocarboxylic acid; phenols	anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic	low
formycin	formycin	antineoplastic agent	low
neocarzinostatin chromophore	cyclopentacyclononaoxirene; D-galactosaminide; dioxolane; monosaccharide derivative; naphthoate ester	antineoplastic agent	low
epothilone b	epothilone; epoxide	antineoplastic agent; apoptosis inducer; microtubule-stabilising agent	low
adenosine-5'-(n-ethylcarboxamide)	adenosines; monocarboxylic acid amide	adenosine A1 receptor agonist; adenosine A2A receptor agonist; antineoplastic agent; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent	low
n(1)-guanyl-1,7-diaminoheptane	guanidines; primary amino compound	antineoplastic agent; EC 2.5.1.46 (deoxyhypusine synthase) inhibitor	low
diethylstilbestrol	olefinic compound; polyphenol	antifungal agent; antineoplastic agent; autophagy inducer; calcium channel blocker; carcinogenic agent; EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; endocrine disruptor; xenoestrogen	low
bms 214662	benzenes; benzodiazepine; imidazoles; nitrile; sulfonamide; thiophenes	antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor	low
epothilone a	epothilone; epoxide	antineoplastic agent; metabolite; microtubule-stabilising agent; tubulin modulator	low
8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine	6-aminopurines; acetylenic compound; methoxybenzenes; monochlorobenzenes; organofluorine compound	antineoplastic agent; Hsp90 inhibitor	low
alitretinoin	retinoic acid	antineoplastic agent; keratolytic drug; metabolite; retinoid X receptor agonist	low
afimoxifene	phenols; tertiary amino compound	antineoplastic agent; estrogen receptor antagonist; metabolite	low
aclarubicin	aminoglycoside; anthracycline; methyl ester; phenols; polyketide; tetracenequinones; trisaccharide derivative; zwitterion	antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	low
teniposide	aromatic ether; beta-D-glucoside; cyclic acetal; furonaphthodioxole; gamma-lactone; monosaccharide derivative; phenols; thiophenes	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	low
steviol	bridged compound; ent-kaurane diterpenoid; monocarboxylic acid; tertiary allylic alcohol; tetracyclic diterpenoid	antineoplastic agent	low
tiazofurin	1,3-thiazoles; C-glycosyl compound; monocarboxylic acid amide	antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; prodrug	low
aphidicolin	tetracyclic diterpenoid	antimicrobial agent; antimitotic; antineoplastic agent; antiviral drug; apoptosis inducer; Aspergillus metabolite; DNA synthesis inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; fungal metabolite	low
azaserine	carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid	antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite	low
melphalan	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent	low
prinomastat	aromatic ether; hydroxamic acid; pyridines; sulfonamide; thiomorpholines	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; matrix metalloproteinase inhibitor	low
rubitecan	C-nitro compound; delta-lactone; pyranoindolizinoquinoline; semisynthetic derivative; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug	low
arsenic trioxide	arsenic oxide	antineoplastic agent; insecticide	low
rhapontin	rhaponticin	angiogenesis inhibitor; anti-allergic agent; anti-inflammatory agent; antilipemic drug; antineoplastic agent; apoptosis inducer; EC 2.3.1.85 (fatty acid synthase) inhibitor; hypoglycemic agent; neuroprotective agent; plant metabolite	low
isoliquiritigenin	chalcones	antineoplastic agent; biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; GABA modulator; geroprotector; metabolite; NMDA receptor antagonist	low
antofine	alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound	angiogenesis inhibitor; anti-inflammatory agent; antimicrobial agent; antineoplastic agent; antiviral agent; phytotoxin; plant metabolite	low
xanthohumol	aromatic ether; chalcones; polyphenol	anti-HIV-1 agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor; metabolite	low
vedelianin	cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid	antineoplastic agent; plant metabolite	low
s 1033	(trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor	low
amygdalin	amygdalin	antineoplastic agent; apoptosis inducer; plant metabolite	low
trilostane	17beta-hydroxy steroid; 3-hydroxy steroid; androstanoid; epoxy steroid; nitrile	abortifacient; antineoplastic agent; EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor	low
leuprolide acetate	acetate salt	antineoplastic agent; gonadotropin releasing hormone agonist	low
leuprolide	oligopeptide	anti-estrogen; antineoplastic agent; gonadotropin releasing hormone agonist	low
mercaptopurine	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent	low
3,3',4,5'-tetrahydroxystilbene	catechols; polyphenol; resorcinols; stilbenol	antineoplastic agent; apoptosis inducer; geroprotector; hypoglycemic agent; plant metabolite; protein kinase inhibitor; tyrosine kinase inhibitor	low
iFSP1	aromatic amine; nitrile; primary amino compound; pyridobenzimidazole; toluenes	antineoplastic agent; ferroptosis inducer; ferroptosis suppressor protein 1 inhibitor	low
4-iodo-6-phenylpyrimidine	biaryl; organoiodine compound; pyrimidines	antineoplastic agent; apoptosis inducer; macrophage migration inhibitory factor inhibitor	low
oncrasin-1	arenecarbaldehyde; indoles; monochlorobenzenes	antineoplastic agent; apoptosis inducer	low
curcumin	aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger	low
cct018159	benzodioxine; pyrazoles; resorcinols	antineoplastic agent; apoptosis inducer; Hsp90 inhibitor	low
sulindac	monocarboxylic acid; organofluorine compound; sulfoxide	analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent	low
aurapten	coumarins; monoterpenoid	antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; dopaminergic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; gamma-secretase modulator; gastrointestinal drug; hepatoprotective agent; matrix metalloproteinase inhibitor; neuroprotective agent; plant metabolite; PPARalpha agonist; vulnerary	low
xl147	aromatic amine; benzothiadiazole; quinoxaline derivative; sulfonamide	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
mcb-613	cyclic ketone; enone; pyridines	antineoplastic agent; steroid receptor coactivator stimulator	low
thioguanine anhydrous	2-aminopurines	anticoronaviral agent; antimetabolite; antineoplastic agent	low
tamoxifen	stilbenoid; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator	low
stattic	1-benzothiophenes; C-nitro compound; sulfone	antineoplastic agent; radiosensitizing agent; STAT3 inhibitor	low
krn 7000	glycophytoceramide; N-acyl-beta-D-galactosylphytosphingosine	allergen; antigen; antineoplastic agent; epitope; immunological adjuvant	low
10058-F4	olefinic compound; thiazolidinone	antineoplastic agent; apoptosis inducer	low
monastrol	enoate ester; ethyl ester; phenols; racemate; thioureas	antileishmanial agent; antimitotic; antineoplastic agent; EC 3.5.1.5 (urease) inhibitor	low
toremifene	aromatic ether; organochlorine compound; tertiary amine	antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator	low
u 0126	aryl sulfide; dinitrile; enamine; substituted aniline	antineoplastic agent; antioxidant; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; osteogenesis regulator; vasoconstrictor agent	low
beauvericin	cyclodepsipeptide	antibiotic insecticide; antifungal agent; antineoplastic agent; apoptosis inhibitor; fungal metabolite; ionophore; mycotoxin; P450 inhibitor	low
nelarabine	beta-D-arabinoside; monosaccharide derivative; purine nucleoside	antineoplastic agent; DNA synthesis inhibitor; prodrug	low
bms 387032	1,3-oxazoles; 1,3-thiazoles; organic sulfide; piperidinecarboxamide; secondary carboxamide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
manool	labdane diterpenoid; tertiary alcohol	antibacterial agent; antineoplastic agent; plant metabolite	low
amrubicin	anthracycline antibiotic; methyl ketone; primary amino compound; quinone; tetracenes	antineoplastic agent; prodrug; topoisomerase II inhibitor	low
ospemifene	aromatic ether; organochlorine compound; primary alcohol	anti-inflammatory agent; antineoplastic agent; estrogen receptor modulator	low
tandutinib	aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; piperidines; quinazolines; tertiary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
dasatinib	1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor	low
emetine dihydrochloride	hydrochloride	anticoronaviral agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; protein synthesis inhibitor	low
bigelovin	acetate ester; cyclic ketone; gamma-lactone; organic heterotricyclic compound; sesquiterpene lactone	antineoplastic agent; apoptosis inducer; immunomodulator; plant metabolite	low
zd 6474	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor	low
l 663536	aryl sulfide; indoles; monocarboxylic acid; monochlorobenzenes	antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; leukotriene antagonist	low
4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione	benzenes; thiadiazolidine	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent	low
sc 560	aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug	low
alsterpaullone	C-nitro compound; caprolactams; organic heterotetracyclic compound	anti-HIV-1 agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor	low
ginkgetin	biflavonoid; hydroxyflavone; methoxyflavone; ring assembly	anti-HSV-1 agent; antineoplastic agent; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; metabolite	low
eupatilin	dihydroxyflavone; trimethoxyflavone	anti-inflammatory agent; anti-ulcer drug; antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; metabolite	low
quercetin	7-hydroxyflavonol; pentahydroxyflavone	antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger	low
biochanin a	4'-methoxyisoflavones; 7-hydroxyisoflavones	antineoplastic agent; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; phytoestrogen; plant metabolite; tyrosine kinase inhibitor	low
vitexin	C-glycosyl compound; trihydroxyflavone	antineoplastic agent; EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite; platelet aggregation inhibitor	low
apigenin	trihydroxyflavone	antineoplastic agent; metabolite	low
luteolin	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist	low
calcitriol	D3 vitamins; hydroxycalciol; triol	antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical	low
herbacetin	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antilipemic drug; antineoplastic agent; apoptosis inducer; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; plant metabolite	low
hymecromone	hydroxycoumarin	antineoplastic agent; hyaluronic acid synthesis inhibitor	low
chrysoeriol	monomethoxyflavone; trihydroxyflavone	antineoplastic agent; antioxidant; metabolite	low
dexmedetomidine	trihydroxyflavone; trimethoxyflavone	antineoplastic agent; metabolite	low
bryostatin 1	acetate ester; bryostatins; cyclic hemiketal; enoate ester; methyl ester; organic heterotetracyclic compound; secondary alcohol	alpha-secretase activator; anti-HIV-1 agent; antineoplastic agent; marine metabolite; protein kinase C agonist	low
quercetin 3-o-glucopyranoside	beta-D-glucoside; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antineoplastic agent; antioxidant; antipruritic drug; bone density conservation agent; geroprotector; histamine antagonist; osteogenesis regulator; plant metabolite	low
9-deoxy-9,10-didehydro-12,13-didehydro-13,14-dihydroprostaglandin d2	prostaglandins J; secondary alcohol	antineoplastic agent; antiviral agent	low
genistein	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor	low
pyrvinium	quinolinium ion	anthelminthic drug; antineoplastic agent	low
cyclobenzaprine	9,11,13-octadecatrienoic acid	antineoplastic agent; plant metabolite	low
butein	chalcones; polyphenol	antineoplastic agent; antioxidant; EC 1.1.1.21 (aldehyde reductase) inhibitor; geroprotector; hypoglycemic agent; plant metabolite; radiosensitizing agent; tyrosine kinase inhibitor	low
cucurbitacin i	cucurbitacin; tertiary alpha-hydroxy ketone	antineoplastic agent; plant metabolite	low
daphnoretin	aromatic ether; hydroxycoumarin	antineoplastic agent; antiviral agent; metabolite	low
costunolide	germacranolide; heterobicyclic compound	anthelminthic drug; antiinfective agent; antineoplastic agent; antiparasitic agent; antiviral drug; metabolite	low
eupatolide	gamma-lactone; germacranolide; homoallylic alcohol; secondary alcohol	antineoplastic agent; plant metabolite	low
oleuropein	beta-D-glucoside; catechols; diester; methyl ester; pyrans; secoiridoid glycoside	anti-inflammatory agent; antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; NF-kappaB inhibitor; nutraceutical; plant metabolite; radical scavenger	low
agathisflavone	biaryl; biflavonoid; hydroxyflavone	antineoplastic agent; antiviral agent; hepatoprotective agent; metabolite	low
baicalein	trihydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antibacterial agent; anticoronaviral agent; antifungal agent; antineoplastic agent; antioxidant; apoptosis inducer; EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; EC 4.1.1.17 (ornithine decarboxylase) inhibitor; ferroptosis inhibitor; geroprotector; hormone antagonist; plant metabolite; prostaglandin antagonist; radical scavenger	low
chrysin	7-hydroxyflavonol; dihydroxyflavone	anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite	low
diosmetin	3'-hydroxyflavonoid; monomethoxyflavone; trihydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; bone density conservation agent; cardioprotective agent; plant metabolite; tropomyosin-related kinase B receptor agonist; vasodilator agent	low
hinokiflavone	aromatic ether; biflavonoid; hydroxyflavone	antineoplastic agent; metabolite; neuroprotective agent	low
hispidulin	monomethoxyflavone; trihydroxyflavone	anti-inflammatory agent; anticonvulsant; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite	low
gartanin	polyphenol; xanthones	antineoplastic agent; plant metabolite	low
mangostin	aromatic ether; phenols; xanthones	antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite	low
norathyriol	polyphenol; xanthones	antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor; plant metabolite	low
morin	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent	low
morusin	extended flavonoid; trihydroxyflavone	antineoplastic agent; plant metabolite	low
myricetin	7-hydroxyflavonol; hexahydroxyflavone	antineoplastic agent; antioxidant; cyclooxygenase 1 inhibitor; food component; geroprotector; hypoglycemic agent; plant metabolite	low
robustaflavone	biflavonoid; hydroxyflavone; ring assembly	anti-HBV agent; antineoplastic agent; antioxidant; metabolite	low
tricetin	pentahydroxyflavone	antineoplastic agent; metabolite	low
wogonin	dihydroxyflavone; monomethoxyflavone	angiogenesis inhibitor; antineoplastic agent; cyclooxygenase 2 inhibitor; plant metabolite	low
daidzein	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite	low
astringin	beta-D-glucoside; monosaccharide derivative; polyphenol; stilbenoid	antineoplastic agent; antioxidant; metabolite	low
pterostilbene	diether; methoxybenzenes; stilbenol	anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; neuroprotective agent; neurotransmitter; plant metabolite; radical scavenger	low
irilone	hydroxyisoflavone; organic heterotricyclic compound; oxacycle	antineoplastic agent; immunomodulator; metabolite	low
caffeic acid phenethyl ester	alkyl caffeate ester	anti-inflammatory agent; antibacterial agent; antineoplastic agent; antioxidant; antiviral agent; immunomodulator; metabolite; neuroprotective agent	low
wedelolactone	aromatic ether; coumestans; delta-lactone; polyphenol	antineoplastic agent; apoptosis inducer; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; hepatoprotective agent; metabolite	low
maytansine	alpha-amino acid ester; carbamate ester; epoxide; maytansinoid; organic heterotetracyclic compound; organochlorine compound	antimicrobial agent; antimitotic; antineoplastic agent; plant metabolite; tubulin modulator	low
rottlerin	aromatic ketone; benzenetriol; chromenol; enone; methyl ketone	anti-allergic agent; antihypertensive agent; antineoplastic agent; apoptosis inducer; K-ATP channel agonist; metabolite	low
tectochrysin	monohydroxyflavone; monomethoxyflavone	antidiarrhoeal drug; antineoplastic agent; plant metabolite	low
plaunotol	diterpenoid; primary alcohol	anti-ulcer drug; antibacterial agent; antineoplastic agent; apoptosis inducer; nephroprotective agent; plant metabolite; vulnerary	low
tranilast	amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide	anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent	low
tocotrienol, beta	tocotrienol; vitamin E	antineoplastic agent; apoptosis inducer; plant metabolite	low
gamma-tocotrienol	tocotrienol; vitamin E	antineoplastic agent; antioxidant; apoptosis inducer; hepatoprotective agent; plant metabolite; radiation protective agent	low
tocotrienol, delta	tocotrienol; vitamin E	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bone density conservation agent; NF-kappaB inhibitor; plant metabolite; radiation protective agent; Saccharomyces cerevisiae metabolite	low
4'-hydroxychalcone	chalcones; phenols	anti-inflammatory agent; antineoplastic agent	low
isotretinoin	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent	low
9,11-linoleic acid	octadeca-9,11-dienoic acid	anti-inflammatory agent; antiatherogenic agent; antineoplastic agent; apoptosis inducer; bacterial xenobiotic metabolite; human metabolite	low
camostat mesylate	methanesulfonate salt	anti-inflammatory agent; anticoronaviral agent; antifibrinolytic drug; antihypertensive agent; antineoplastic agent; antiviral agent; serine protease inhibitor	low
sirolimus	antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol	antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor	low
3',4',7-trihydroxyisoflavone	7-hydroxyisoflavones	antineoplastic agent; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor; metabolite	low
alvocidib	dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound	antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
fenretinide	monocarboxylic acid amide; retinoid	antineoplastic agent; antioxidant	low
geldanamycin	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound	antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor	low
4-oxoretinol	cyclic ketone; enone; primary allylic alcohol; retinoid	antineoplastic agent	low
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid	benzoic acids; naphthalenes; retinoid	antineoplastic agent; retinoic acid receptor agonist; teratogenic agent	low
vinorelbine	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid	antineoplastic agent; photosensitizing agent	low
centaureidin	trihydroxyflavone; trimethoxyflavone	antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; plant metabolite	low
3,3'-di-o-methylquercetin	3'-methoxyflavones; dimethoxyflavone; trihydroxyflavone	antibacterial agent; antineoplastic agent; apoptosis inducer; plant metabolite	low
ethyl caffeate	alkyl caffeate ester; ethyl ester; hydroxycinnamic acid	anti-inflammatory agent; antineoplastic agent; metabolite	low
andrographolide	carbobicyclic compound; gamma-lactone; labdane diterpenoid; primary alcohol; secondary alcohol	anti-HIV agent; anti-inflammatory drug; antineoplastic agent; metabolite	low
isoginkgetin	aromatic ether; biflavonoid	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; plant metabolite	low
cudraflavone c	tetrahydroxyflavone	antibacterial agent; antineoplastic agent; plant metabolite	low
neobavaisoflavone	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; plant metabolite; platelet aggregation inhibitor	low
neoglycyrol	aromatic ether; coumestans; delta-lactone; polyphenol	antineoplastic agent; plant metabolite	low
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one	dihydroxyflavone; monomethoxyflavone	antineoplastic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor	low
spiraeoside	beta-D-glucoside; flavonols; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antineoplastic agent; antioxidant; plant metabolite	low
rhamnazin	aromatic ether; dimethoxyflavone; phenols; trihydroxyflavone	antineoplastic agent; plant metabolite	low
oridonin	cyclic hemiketal; enone; ent-kaurane diterpenoid; organic heteropentacyclic compound; secondary alcohol	angiogenesis inhibitor; anti-asthmatic agent; antibacterial agent; antineoplastic agent; apoptosis inducer; plant metabolite	low
pd 166866	biaryl; dimethoxybenzene; primary arylamine; pyridopyrimidine; ureas	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
bosutinib	aminoquinoline; aromatic ether; dichlorobenzene; N-methylpiperazine; nitrile; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor	low
semaxinib	olefinic compound; oxindoles; pyrroles	angiogenesis modulating agent; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist	low
su 11248	monocarboxylic acid amide; pyrroles	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist	low
palbociclib	aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
mitoguazone	guanidines; hydrazone	antineoplastic agent; apoptosis inducer; EC 4.1.1.50 (adenosylmethionine decarboxylase) inhibitor	low
reumycin	carbonyl compound; pyrimidotriazine	antimicrobial agent; antineoplastic agent; bacterial metabolite	low
ergosterol-5,8-peroxide	3beta-sterol; ergostanoid; organic peroxide; phytosterols	antimycobacterial drug; antineoplastic agent; metabolite; trypanocidal drug	low
ermanin	dihydroxyflavone; dimethoxyflavone	anti-inflammatory agent; antimycobacterial drug; antineoplastic agent; apoptosis inducer; plant metabolite	low
romidepsin	cyclodepsipeptide; heterocyclic antibiotic; organic disulfide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor	low
sulindac sulfide	aryl sulfide; monocarboxylic acid; organofluorine compound	antineoplastic agent; apoptosis inducer; non-steroidal anti-inflammatory drug	low
bay 11-7085	benzenes; nitrile; sulfone	anti-inflammatory agent; antibacterial agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.11.10 (IkappaB kinase) inhibitor; ferroptosis inducer; NF-kappaB inhibitor	low
macluraxanthone b	phenols; xanthones	anti-HIV agent; antineoplastic agent; metabolite	low
flavokawain b	chalcones; dimethoxybenzene; phenols	anti-inflammatory agent; antileishmanial agent; antineoplastic agent; apoptosis inducer; metabolite	low
tamsulosin hydrochloride	hydrochloride	alpha-adrenergic antagonist; antineoplastic agent	low
batimastat	hydroxamic acid; L-phenylalanine derivative; organic sulfide; secondary carboxamide; thiophenes; triamide	angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor	low
glyceryl behenate	1-monoglyceride; fatty acid ester	antineoplastic agent; plant metabolite	low
jaceosidin	dimethoxyflavone; trihydroxyflavone	anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; metabolite	low
5,7,3'-trihydroxy-3,4'-dimethoxyflavone	dimethoxyflavone; trihydroxyflavone	antineoplastic agent; metabolite	low
pederin	cyclic ketal; diol; oxanes; polyketide; secondary alcohol; secondary carboxamide	antimitotic; antineoplastic agent; bacterial metabolite; vesicant	low
artocarpin lectin	monomethoxyflavone; trihydroxyflavone	antineoplastic agent; metabolite	low
cisplatin	diamminedichloroplatinum	antineoplastic agent; apoptosis inducer; cross-linking reagent; ferroptosis inducer; genotoxin; mutagen; nephrotoxin; photosensitizing agent	low
bleomycin	bleomycin	antineoplastic agent; metabolite	low
beta-aminopropionitrile fumarate (2:1)	fumarate salt	antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite	low
gamma-mangostin	phenols; xanthones	antineoplastic agent; plant metabolite; protein kinase inhibitor	low
demethoxycurcumin	beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antineoplastic agent; metabolite	low
cystothiazole a	1,3-thiazoles; biaryl; enoate ester; enol ether; methyl ester; organonitrogen heterocyclic antibiotic	antifungal agent; antineoplastic agent; bacterial metabolite	low
lespenefril	alpha-L-rhamnoside; dihydroxyflavone; glycosyloxyflavone; monosaccharide derivative; polyphenol	anti-inflammatory agent; antidepressant; antineoplastic agent; apoptosis inducer; bone density conservation agent; hypoglycemic agent; immunomodulator; plant metabolite	low
baohuoside i	glycosyloxyflavone	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; plant metabolite	low
arglabin	epoxide; gamma-lactone; organic heterotetracyclic compound; sesquiterpene lactone	antineoplastic agent; metabolite	low
3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one	enone; pyridines	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.1.105 (6-phosphofructo-2-kinase) inhibitor	low
ma-1	carboxamidine; organochlorine compound; pyrimidone; pyrrolidines	antineoplastic agent; EC 2.4.2.4 (thymidine phosphorylase) inhibitor	low
apratoxin a	1,3-thiazoles; apratoxin	antineoplastic agent; metabolite	low
coronardine	alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound	antileishmanial agent; antineoplastic agent; apoptosis inducer; plant metabolite	low
ascofuranone	dihydroxybenzaldehyde; meroterpenoid; monochlorobenzenes; olefinic compound; resorcinols; sesquiterpenoid; tetrahydrofuranone	angiogenesis inhibitor; antilipemic drug; antineoplastic agent; antiprotozoal drug; fungal metabolite	low
columbianadin	alpha,beta-unsaturated carboxylic ester; furanocoumarin	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; hepatoprotective agent; plant metabolite; rat metabolite	low
germacrone	germacrane sesquiterpenoid; olefinic compound	androgen antagonist; anti-inflammatory agent; antifeedant; antifungal agent; antimicrobial agent; antineoplastic agent; antioxidant; antitussive; antiviral agent; apoptosis inducer; autophagy inducer; hepatoprotective agent; insecticide; neuroprotective agent; plant metabolite; volatile oil component	low
rhizoxin	1,3-oxazoles; epoxide; macrolide antibiotic	antimitotic; antineoplastic agent; metabolite	low
sibiromycin	aminoglycoside antibiotic; hemiaminal; phenols; pyrrolobenzodiazepine	antineoplastic agent; bacterial metabolite	low
bryostatin 2	bryostatins; cyclic hemiketal; enoate ester; methyl ester; organic heterotetracyclic compound; secondary alcohol	antineoplastic agent; marine metabolite; protein kinase C agonist	low
manumycin	enamide; epoxide; organic heterobicyclic compound; polyketide; secondary carboxamide; tertiary alcohol	antiatherosclerotic agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; marine metabolite	low
thermozymocidin	alpha-amino fatty acid; hydroxy monocarboxylic acid; non-proteinogenic alpha-amino acid; sphingoid	antifungal agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor; fungal metabolite; immunosuppressive agent	low
asukamycin	enamide; epoxide; organic heterobicyclic compound; polyketide; secondary carboxamide; tertiary alcohol	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; bacterial metabolite	low
everolimus	cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol	anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor	low
13(S)-HODE	HODE	antineoplastic agent; human xenobiotic metabolite; mouse metabolite	low
ixabepilone	1,3-thiazoles; beta-hydroxy ketone; epoxide; lactam; macrocycle	antineoplastic agent; microtubule-destabilising agent	low
axitinib	aryl sulfide; benzamides; indazoles; pyridines	antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist	low
salvianolic acid B	1-benzofurans; catechols; dicarboxylic acid; enoate ester; polyphenol	anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; apoptosis inducer; autophagy inhibitor; cardioprotective agent; hepatoprotective agent; hypoglycemic agent; neuroprotective agent; osteogenesis regulator; plant metabolite	low
l 744832	benzenes; ether; isopropyl ester; secondary carboxamide; sulfone; thiol	antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; geroprotector	low
sophoraflavanone a	(2S)-flavan-4-one; 4'-hydroxyflavanones; trihydroxyflavanone	antibacterial agent; antineoplastic agent; metabolite	low
tanespimycin	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound; secondary amino compound	antineoplastic agent; apoptosis inducer; Hsp90 inhibitor	low
manzamine a	alkaloid; beta-carbolines; isoquinolines	animal metabolite; anti-HSV-1 agent; antimalarial; antineoplastic agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; marine metabolite	low
aureothin	4-pyranones; C-nitro compound; ketene acetal; olefinic compound; oxolanes	antibacterial agent; antifungal agent; antineoplastic agent; antiparasitic agent; bacterial metabolite; EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor	low
fostriecin	2-pyranones; olefinic compound; phosphate monoester; polyketide; primary allylic alcohol; secondary allylic alcohol; triol	antineoplastic agent; apoptosis inhibitor; bacterial metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; topoisomerase II inhibitor	low
artesunate	artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid	antimalarial; antineoplastic agent; ferroptosis inducer	low
ru 58668	17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; organofluorine compound; sulfone	anti-estrogen; antineoplastic agent; estrogen receptor antagonist	low
soblidotin	tetrapeptide	antineoplastic agent; apoptosis inducer; microtubule-destabilising agent	low
beta-elemene	beta-elemene	antineoplastic agent	low
laulimalide	carboxylic ester; epoxide; macrolide; secondary alcohol; secondary allylic alcohol	animal metabolite; antimitotic; antineoplastic agent; marine metabolite; microtubule-stabilising agent	low
jwh-133	benzochromene; dibenzopyran; organic heterotricyclic compound	analgesic; anti-inflammatory agent; antineoplastic agent; apoptosis inhibitor; CB2 receptor agonist; opioid analgesic; vasodilator agent	low
belinostat	hydroxamic acid; olefinic compound; sulfonamide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor	low
on 01910	N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine	antineoplastic agent; apoptosis inducer; EC 2.7.11.21 (polo kinase) inhibitor; microtubule-destabilising agent	low
panobinostat	cinnamamides; hydroxamic acid; methylindole; secondary amino compound	angiogenesis modulating agent; antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor	low
bml 210	dicarboxylic acid diamide	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor	low
bufalin	14beta-hydroxy steroid; 3beta-hydroxy steroid	animal metabolite; anti-inflammatory agent; antineoplastic agent; cardiotonic drug	low
alpha-solanine	glycoalkaloid; organic heterohexacyclic compound; steroid saponin; trisaccharide derivative	antineoplastic agent; apoptosis inducer; phytotoxin; plant metabolite	low
rhosin	D-tryptophan derivative; hydrazone; quinoxaline derivative	antineoplastic agent; RhoA inhibitor; RhoC inhibitor	low
s-allylcysteine	L-alpha-amino acid zwitterion; S-hydrocarbyl-L-cysteine	antineoplastic agent; metabolite	low
2-hydroxy-9-cis-octadecenoic acid	2-hydroxy fatty acid; hydroxy monounsaturated fatty acid; long-chain fatty acid	antihypertensive agent; antineoplastic agent; apoptosis inducer	low
dolastatin 10	1,3-thiazoles; tetrapeptide	animal metabolite; antineoplastic agent; apoptosis inducer; marine metabolite; microtubule-destabilising agent	low
plitidepsin	didemnin	anticoronaviral agent; antineoplastic agent; marine metabolite	low
abiraterone acetate	pyridines; sterol ester	antineoplastic agent; EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor; prodrug	low
lenvatinib	aromatic amide; aromatic ether; cyclopropanes; monocarboxylic acid amide; monochlorobenzenes; phenylureas; quinolines	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist; orphan drug; vascular endothelial growth factor receptor antagonist	low
nsc 716970	aromatic amine; aromatic ether; indolecarboxamide; organochlorine compound	antineoplastic agent	low
pd 0325901	difluorobenzene; hydroxamic acid ester; monofluorobenzenes; organoiodine compound; propane-1,2-diols; secondary amino compound	antineoplastic agent; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor	low
midostaurin	benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound	antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor	low
jasplakinolide	cyclodepsipeptide; phenols	actin polymerisation inducer; animal metabolite; antifungal agent; antineoplastic agent; apoptosis inducer; marine metabolite; neuroprotective agent	low
muromonab-cd3	alkaloid; macrocycle; organic heteropentacyclic compound; organonitrogen heterocyclic compound; oxacycle; tertiary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; IP3 receptor antagonist; marine metabolite	low
ginsenoside m1	12beta-hydroxy steroid; 3beta-hydroxy-4,4-dimethylsteroid; 3beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	anti-allergic agent; anti-inflammatory agent; antineoplastic agent; hepatoprotective agent; plant metabolite	low
cabazitaxel	tetracyclic diterpenoid	antineoplastic agent; microtubule-stabilising agent	low
elisidepsin	cyclodepsipeptide	antineoplastic agent	low
fr 148083	aromatic ether; macrolide; phenols; secondary alcohol; secondary alpha-hydroxy ketone	antibacterial agent; antineoplastic agent; metabolite; NF-kappaB inhibitor	low
mocetinostat	aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline	antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent	low
tln 4601	dibenzodiazepine; farnesane sesquiterpenoid; olefinic compound; secondary amine; triol	antineoplastic agent; antioxidant; cathepsin L (EC 3.4.22.15) inhibitor	low
scio-469	aromatic amide; aromatic ketone; chloroindole; dicarboxylic acid diamide; indolecarboxamide; monofluorobenzenes; N-acylpiperazine; N-alkylpiperazine	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
tmc-95a	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; bacterial metabolite; fungal metabolite; proteasome inhibitor	low
cp 724714	2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; hepatotoxic agent	low
9-methoxycanthin-6-one	aromatic ether; indole alkaloid; organic heterotetracyclic compound	antineoplastic agent; antiplasmodial drug; metabolite	low
topopyrone c	naphthochromene; p-quinones; phenols	antimicrobial agent; antineoplastic agent; antiviral agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; Penicillium metabolite	low
pi103	aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor	low
5-chloro-6-(1-(2-iminopyrrolidinyl) methyl)uracil hydrochloride	hydrochloride; iminium salt	antineoplastic agent; EC 2.4.2.4 (thymidine phosphorylase) inhibitor	low
fty 720p	monoalkyl phosphate; primary alcohol; primary amino compound	antineoplastic agent; immunosuppressive agent; sphingosine-1-phosphate receptor agonist	low
hmr 1275	hydrochloride	antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
zm 447439	aromatic ether; benzamides; morpholines; polyether; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor	low
hki 272	nitrile; quinolines	antineoplastic agent; tyrosine kinase inhibitor	low
ginsenoside f2	12beta-hydroxy steroid; beta-D-glucoside; ginsenoside; tetracyclic triterpenoid	antineoplastic agent; apoptosis inducer; plant metabolite	low
ginsenoside rg3	ginsenoside; glycoside; tetracyclic triterpenoid	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; plant metabolite	low
es-285	amino alcohol; sphingoid	antineoplastic agent	low
nidulalin a	methyl ester; phenols; xanthones	antimicrobial agent; antineoplastic agent; Penicillium metabolite	low
hypothemycin	aromatic ether; diol; enone; epoxide; macrolide; phenols; polyketide; secondary alpha-hydroxy ketone	antifungal agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; fungal metabolite	low
rucaparib	azepinoindole; caprolactams; organofluorine compound; secondary amino compound	antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	low
jte 607	hydrochloride	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; cardioprotective agent; CPSF3 inhibitor; prodrug	low
pasireotide	homodetic cyclic peptide; peptide hormone	antineoplastic agent	low
npi 2358	2,5-diketopiperazines; benzenes; imidazoles; olefinic compound	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; microtubule-destabilising agent	low
rubraxanthone	aromatic ether; polyphenol; xanthones	antibacterial agent; antineoplastic agent; metabolite	low
NNC 55-0396 (free base)	benzimidazoles; cyclopropanecarboxylate ester; organofluorine compound; tertiary amino compound; tetralins	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; neuroprotective agent; potassium channel blocker; T-type calcium channel blocker	low
sr 11302	alpha,beta-unsaturated monocarboxylic acid; retinoid; toluenes	antineoplastic agent; AP-1 antagonist	low
sch 51344	aromatic amine; aromatic ether; primary alcohol; pyrazoloquinoline; secondary amino compound	antineoplastic agent	low
4alpha-methylergosta-8,24(28)-dien-3,7,11-trione-26-oic acid	11-oxo steroid; 3-oxo steroid; 7-oxo steroid; ergostanoid; monocarboxylic acid; steroid acid	anti-inflammatory agent; antineoplastic agent; plant metabolite	low
osu 03012	antibiotic antifungal drug; aromatic amide; glycine derivative; organofluorine compound; phenanthrenes; pyrazoles	antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
ly2090314	diazepinoindole; imidazopyridine; maleimides; monofluorobenzenes; piperidinecarboxamide; ureas	antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator	low
cerberin	acetate ester; cardenolide glycoside; monosaccharide derivative	antineoplastic agent; metabolite	low
pateamine a	1,3-thiazoles; macrodiolide; olefinic compound; primary amino compound; tertiary amino compound	antineoplastic agent; antiviral agent; eukaryotic initiation factor 4F inhibitor; marine metabolite	low
6-hydroxytaxol	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent	low
masitinib	1,3-thiazoles; benzamides; N-alkylpiperazine; pyridines	antineoplastic agent; antirheumatic drug; tyrosine kinase inhibitor	low
avenanthramide b	amidobenzoic acid; cinnamamides; monohydroxybenzoic acid; monomethoxybenzene; phenols; secondary carboxamide	antineoplastic agent; apoptosis inducer; phytoalexin	low
ageladine a	alkaloid; aromatic amine; imidazopyridine; organobromine compound; pyrroles	angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor; metabolite	low
ly-2157299	aromatic amide; methylpyridines; monocarboxylic acid amide; pyrrolopyrazole; quinolines	antineoplastic agent; TGFbeta receptor antagonist	low
pazopanib	aminopyrimidine; indazoles; sulfonamide	angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist	low
azd 6244	benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
azd2858	aromatic amine; N-methylpiperazine; pyrazines; pyridines; secondary carboxamide; sulfonamide	antineoplastic agent; bone density conservation agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator	low
bibw 2992	aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor	low
bl1521	enamide; hydroxamic acid; monocarboxylic acid amide	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor	low
jte 013	chloropyridine; pyrazolopyridine	anti-asthmatic agent; anti-inflammatory agent; antineoplastic agent; osteogenesis regulator; pro-angiogenic agent; sphingosine-1-phosphate receptor 2 antagonist	low
holomycin	acetamides; dithiolopyrrolone antibiotic	antibacterial agent; antineoplastic agent; bacterial metabolite; chelator; EC 2.7.7.6 (RNA polymerase) inhibitor; marine metabolite	low
binimetinib	benzimidazoles; bromobenzenes; hydroxamic acid ester; monofluorobenzenes; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
aee 788	6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist; trypanocidal drug	low
saracatinib	aromatic ether; benzodioxoles; diether; N-methylpiperazine; organochlorine compound; oxanes; quinazolines; secondary amino compound	anticoronaviral agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; radiosensitizing agent	low
crenolanib	aminopiperidine; aromatic ether; benzimidazoles; oxetanes; quinolines; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
trilobacin	butenolide; polyketide; triol	antineoplastic agent; plant metabolite	low
manassantin b	benzodioxoles; dimethoxybenzene; lignan; oxolanes; secondary alcohol	antineoplastic agent; metabolite	low
pha 665752	dichlorobenzene; enamide; indolones; N-acylpyrrolidine; pyrrolecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide	antineoplastic agent; c-Met tyrosine kinase inhibitor	low
PB28	aromatic ether; piperazines; tetralins	anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist	low
tmc-95b	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; fungal metabolite; proteasome inhibitor	low
fr 901464	acetate ester; cyclic hemiketal; monocarboxylic acid amide; pyrans; spiro-epoxide	antimicrobial agent; antineoplastic agent; bacterial metabolite	low
vinflunine	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; semisynthetic derivative; vinca alkaloid	antineoplastic agent	low
homocamptothecin	epsilon-lactone; organic heteropentacyclic compound; organonitrogen heterocyclic compound; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor	low
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside	aromatic ether; benzyl alcohols; beta-D-glucoside; monosaccharide derivative; primary alcohol	antineoplastic agent; metabolite	low
jaspamide b	cyclodepsipeptide; organobromine compound	animal metabolite; antineoplastic agent; marine metabolite	low
ossamycin	cyclic hemiketal; macrolide antibiotic; organic heterotetracyclic compound; secondary alcohol; spiroketal; tertiary alcohol	antineoplastic agent; bacterial metabolite	low
nigranoic acid	dicarboxylic acid; tetracyclic triterpenoid	antineoplastic agent; HIV-1 reverse transcriptase inhibitor; metabolite	low
esculeoside a	azaspiro compound; oxaspiro compound; saponin; steroid alkaloid; steroid saponin	antineoplastic agent; metabolite	low
azadirone	acetate ester; cyclic terpene ketone; furans; limonoid; tetracyclic triterpenoid	antineoplastic agent; antiplasmodial drug; plant metabolite	low
iejimalide b	ether; formamides; macrolide	antineoplastic agent; marine metabolite	low
migrastatin	ether; macrolide antibiotic; piperidones; secondary alcohol	antineoplastic agent; metabolite	low
cembra-2,7,11-triene-4,6-diol	cembrane diterpenoid	antineoplastic agent	low
2,3,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)-5-(2-methylbut-3-en-2-yl)-9h-xanthen-9-one	polyphenol; xanthones	anti-inflammatory agent; antineoplastic agent; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite	low
regorafenib	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide	antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor	low
at 7867	monochlorobenzenes; piperidines; pyrazoles	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
ym 155	organic bromide salt	antineoplastic agent; apoptosis inducer; survivin suppressant	low
bielschowskysin	acetate ester; cyclic acetal; diterpenoid; gamma-lactone; organic heterohexacyclic compound	antimalarial; antineoplastic agent; metabolite	low
erastin	aromatic ether; diether; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; quinazolines; tertiary carboxamide	antineoplastic agent; ferroptosis inducer; voltage-dependent anion channel inhibitor	low
abt-737	aromatic amine; aryl sulfide; biphenyls; C-nitro compound; monochlorobenzenes; N-arylpiperazine; N-sulfonylcarboxamide; secondary amino compound; tertiary amino compound	anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor	low
brivanib	aromatic ether; diether; fluoroindole; pyrrolotriazine; secondary alcohol	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; drug metabolite; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist	low
rx-3117	organofluorine compound; primary allylic alcohol; triol	antimetabolite; antineoplastic agent; apoptosis inducer; DNA synthesis inhibitor; prodrug	low
ascochlorin	cyclohexanones; dihydroxybenzaldehyde; meroterpenoid; monochlorobenzenes; olefinic compound; resorcinols; sesquiterpenoid	angiogenesis inhibitor; antifungal agent; antineoplastic agent; antiprotozoal drug; fungal metabolite	low
spiculoic acid a	carbobicyclic compound; cyclic ketone; oxo monocarboxylic acid; styrenes	antineoplastic agent; metabolite	low
N(2)-([biphenyl]-4-ylsulfonyl)-N-hydroxy-N(2)-isopropoxy-D-valinamide	D-valine derivative; hydroxamic acid	antineoplastic agent; autophagy inducer; EC 3.4.24.24 (gelatinase A) inhibitor; melanin synthesis inhibitor	low
at 7519	dichlorobenzene; piperidines; pyrazoles; secondary carboxamide	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
ym 216391	1,3-oxazoles; 1,3-thiazoles; azamacrocycle; benzenes; heterodetic cyclic peptide	antineoplastic agent; bacterial metabolite	low
marizomib	beta-lactone; gamma-lactam; organic heterobicyclic compound; organochlorine compound; salinosporamide	antineoplastic agent; proteasome inhibitor	low
er-086526	cyclic ketal; cyclic ketone; macrocycle; polycyclic ether; polyether; primary amino compound	antineoplastic agent; microtubule-destabilising agent	low
obolactone	2-pyranones; 4-pyranones	antineoplastic agent; plant metabolite	low
episilvestrol	dioxanes; ether; methyl ester; organic heterotricyclic compound	antineoplastic agent; metabolite	low
abt 869	aromatic amine; indazoles; phenylureas	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
azd 1152	anilide; monoalkyl phosphate; monofluorobenzenes; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor; prodrug	low
pf 00299804	enamide; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist	low
ki11502	aromatic ether; benzamides; quinolines; thioureas	antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
carfilzomib	epoxide; morpholines; tetrapeptide	antineoplastic agent; proteasome inhibitor	low
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine	aminopyridine; aromatic ether; dichlorobenzene; organofluorine compound; pyrazolylpiperidine; racemate	antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
idelalisib	aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
crizotinib	3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine	antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
zstk474	benzimidazoles; morpholines; organofluorine compound; triamino-1,3,5-triazine	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
trametinib	acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector	low
lyoniresinol	dimethoxybenzene; lignan; polyphenol; primary alcohol; tetralins	antineoplastic agent; metabolite	low
GDC-0879	indanes; ketoxime; primary alcohol; pyrazoles; pyridines	antineoplastic agent; B-Raf inhibitor	low
physalin b	enone; lactone; organic heteroheptacyclic compound; physalin	antimalarial; antimicrobial agent; antineoplastic agent	low
amrubicinol	diastereoisomeric mixture; quinone; secondary alcohol; tetracenes	antineoplastic agent; apoptosis inducer; topoisomerase II inhibitor	low
silvestrol	dioxanes; ether; methyl ester; organic heterotricyclic compound	antineoplastic agent; metabolite	low
at 13387	benzamides; isoindoles; N-alkylpiperazine; resorcinols; tertiary carboxamide	antineoplastic agent; Hsp90 inhibitor	low
cytotrienin a	cyclopropanecarboxylate ester; ether; hydroquinones; lactam; macrocycle; secondary alcohol	antibacterial agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; metabolite	low
dactolisib	imidazoquinoline; nitrile; quinolines; ring assembly; ureas	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor	low
bgt226	aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor	low
2'-methoxykurarinone	4'-hydroxyflavanones; dihydroxyflavanone; dimethoxyflavanone	antineoplastic agent; metabolite	low
gedunin	acetate ester; enone; epoxide; furans; lactone; limonoid; organic heteropentacyclic compound; pentacyclic triterpenoid	antimalarial; antineoplastic agent; Hsp90 inhibitor; plant metabolite	low
monascin	alpha,beta-unsaturated ketone; gamma-lactone; organic heterotricyclic compound; polyketide	antilipemic drug; antineoplastic agent; fungal metabolite; PPARgamma agonist	low
monascorubrin	azaphilone; enone; gamma-lactone; polyketide; triketone	anti-inflammatory agent; antineoplastic agent; biological pigment; food colouring; fungal metabolite; Hsp90 inhibitor	low
5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one	alkaloid; chromones; hydroxypiperidine; resorcinols; tertiary amino compound	anti-inflammatory agent; anti-ulcer drug; anticholesteremic drug; antileishmanial agent; antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; fungal metabolite; plant metabolite	low
SYC-435	benzenes; cyclic hydroxamic acid; pyridone	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor	low
ligstroside	beta-D-glucoside; diester; methyl ester; phenols; pyrans; secoiridoid glycoside	antineoplastic agent; plant metabolite	low
mogrol	hydroxy seco-steroid; tetracyclic triterpenoid	antineoplastic agent	low
simalikalactone D	cyclic ether; delta-lactone; enone; organic heteropentacyclic compound; quassinoid; secondary alcohol; secondary alpha-hydroxy ketone; triol	antimalarial; antineoplastic agent; antiviral agent; metabolite	low
4-methyl-5-pentylbenzene-1,3-diol	resorcinols	antineoplastic agent	low
mdv 3100	(trifluoromethyl)benzenes; benzamides; imidazolidinone; monofluorobenzenes; nitrile; thiocarbonyl compound	androgen antagonist; antineoplastic agent	low
adonixanthin	carotenone; cyclic ketone; secondary alcohol	algal metabolite; animal metabolite; antineoplastic agent; bacterial metabolite; marine metabolite; plant metabolite	low
schweinfurthin g	cyclic ether; organic heterotricyclic compound; resorcinols; stilbenoid	antineoplastic agent; metabolite	low
abarelix	polypeptide	antineoplastic agent; hormone antagonist	low
forapin	peptidyl amide; polypeptide	animal metabolite; antineoplastic agent; apoptosis inducer; EC 2.7.11.13 (protein kinase C) inhibitor; hepatoprotective agent; neuroprotective agent; venom	low
gastrin 17	gastrin	antineoplastic agent	low
gdc-0973	aromatic amine; difluorobenzene; N-acylazetidine; organoiodine compound; piperidines; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
buparlisib	aminopyridine; aminopyrimidine; morpholines; organofluorine compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
tubocapsanolide a	4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; secondary alcohol; withanolide	antineoplastic agent; NF-kappaB inhibitor	low
ro5126766	aryloxypyrimidine; coumarins; organofluorine compound; pyridines; sulfamides	antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
pevonedistat	cyclopentanols; indanes; pyrrolopyrimidine; secondary amino compound; sulfamidate	antineoplastic agent; apoptosis inducer	low
tg101209	N-alkylpiperazine; N-arylpiperazine; pyrimidines; secondary amino compound; sulfonamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
gsk690693	1,2,5-oxadiazole; acetylenic compound; aromatic amine; aromatic ether; imidazopyridine; piperidines; primary amino compound; tertiary alcohol	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
cnf 2024	2-aminopurines; aromatic ether; organochlorine compound; pyridines	antineoplastic agent; Hsp90 inhibitor	low
ku 0063794	benzyl alcohols; monomethoxybenzene; morpholines; pyridopyrimidine; tertiary amino compound	antineoplastic agent; mTOR inhibitor	low
respirantin	benzamides; cyclodepsipeptide; formamides; phenols	antimicrobial agent; antineoplastic agent; metabolite	low
sm 164	benzenes; organic heterobicyclic compound; secondary carboxamide; triazoles	antineoplastic agent; apoptosis inducer; radiosensitizing agent	low
berkeleydione	beta-diketone; cyclic terpene ketone; meroterpenoid; methyl ester; organic heterotetracyclic compound; terpene lactone; tertiary alcohol; tertiary alpha-hydroxy ketone	antineoplastic agent; cysteine protease inhibitor; Penicillium metabolite	low
lucidenic acid n	cyclic terpene ketone; dioxo monocarboxylic acid; secondary alcohol; tetracyclic triterpenoid	antineoplastic agent; EC 3.1.1.8 (cholinesterase) inhibitor; metabolite	low
bromophycolide a	diterpenoid; macrolide; organobromine compound; phenols; tertiary alcohol	anti-HIV agent; antibacterial agent; antifungal agent; antimalarial; antineoplastic agent; metabolite	low
nnc 55-0396	hydrochloride	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; neuroprotective agent; potassium channel blocker; T-type calcium channel blocker	low
meclofenamate sodium anhydrous	hydrate	analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug	low
brequinar sodium	organic sodium salt	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor	low
borrelidin	aliphatic nitrile; diol; macrolide; monocarboxylic acid; secondary alcohol	antifungal agent; antimalarial; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite	low
olaparib	cyclopropanes; monofluorobenzenes; N-acylpiperazine; phthalazines	antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	low
plx 4720	aromatic ketone; difluorobenzene; organochlorine compound; pyrrolopyridine; sulfonamide	antineoplastic agent; B-Raf inhibitor	low
lcl161	1,3-thiazoles; aromatic ketone; L-alanine derivative; monofluorobenzenes; N-acylpyrrolidine	antineoplastic agent; apoptosis inducer	low
aspergillide b	bridged compound; cyclic ether; macrolide; secondary alcohol	antineoplastic agent; Aspergillus metabolite	low
tenovin-6	monocarboxylic acid amide; tertiary amino compound; thioureas	antineoplastic agent; p53 activator; Sir2 inhibitor	low
lde225	aminopyridine; aromatic ether; benzamides; biphenyls; morpholines; organofluorine compound; tertiary amino compound	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist	low
gdc 0449	benzamides; monochlorobenzenes; pyridines; sulfone	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist; teratogenic agent	low
bms 754807	pyrazoles; pyridines; pyrrolidines; pyrrolotriazine	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
marinopyrrole a	aromatic ketone; organochlorine compound; phenols; pyrroles	antibacterial agent; antimicrobial agent; antineoplastic agent; bacterial metabolite; marine metabolite	low
delanzomib	C-terminal boronic acid peptide; phenylpyridine; secondary alcohol; threonine derivative	antineoplastic agent; apoptosis inducer; proteasome inhibitor	low
grassypeptolide	cyclodepsipeptide; macrocycle	antineoplastic agent; metabolite	low
pci 32765	acrylamides; aromatic amine; aromatic ether; N-acylpiperidine; pyrazolopyrimidine; tertiary carboxamide	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
ponatinib	(trifluoromethyl)benzenes; acetylenic compound; benzamides; imidazopyridazine; N-methylpiperazine	antineoplastic agent; tyrosine kinase inhibitor	low
spiruchostatin b	macrocyclic lactone; organic disulfide; organic heterobicyclic compound; spiruchostatin	antineoplastic agent; bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor	low
AMG-208	aromatic ether; quinolines; triazolopyridazine	antineoplastic agent; c-Met tyrosine kinase inhibitor	low
sch772984	biaryl; indazoles; N-acylpiperazine; N-alkylpyrrolidine; N-arylpiperazine; pyridines; pyrimidines; pyrrolidinecarboxamide; secondary carboxamide; tertiary amino compound; tertiary carboxamide	analgesic; antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
papuamide b	cyclodepsipeptide; olefinic compound; secondary alcohol; tertiary alcohol	anti-HIV-1 agent; antineoplastic agent; marine metabolite	low
antroquinonol d	enol ether; enone; secondary alcohol	antineoplastic agent; fungal metabolite	low
quizartinib	benzoimidazothiazole; isoxazoles; morpholines; phenylureas	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; necroptosis inhibitor	low
6-methoxyspirotryprostatin b	aromatic ether; azaspiro compound; indole alkaloid; indolones	antineoplastic agent; Aspergillus metabolite	low
PP121	aromatic amine; cyclopentanes; pyrazolopyrimidine; pyrrolopyridine	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; tyrosine kinase inhibitor	low
niraparib	benzenes; indazoles; piperidines; primary carboxamide	antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	low
niraparib	2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide	antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; radiosensitizing agent	low
navitoclax	aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor	low
lucitanib	aromatic ether; cyclopropanes; naphthalenecarboxamide; primary amino compound; quinolines	antineoplastic agent; fibroblast growth factor receptor antagonist; vascular endothelial growth factor receptor antagonist	low
chondramide c	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite	low
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide	aminopyrimidine; benzamides; morpholines; nitrile; secondary amino compound; tertiary amino compound	anti-anaemic agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
cetrorelix	oligopeptide	antineoplastic agent; GnRH antagonist	low
histrelin	oligopeptide	antineoplastic agent; gonadotropin releasing hormone agonist	low
cabozantinib	aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines	antineoplastic agent; tyrosine kinase inhibitor	low
salvileucalin b	bridged compound; diterpenoid; furans; gamma-lactone	antineoplastic agent; metabolite	low
incb-018424	nitrile; pyrazoles; pyrrolopyrimidine	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
poziotinib	acrylamides; aromatic ether; dichlorobenzene; diether; monofluorobenzenes; N-acylpiperidine; quinazolines; secondary amino compound; substituted aniline	antineoplastic agent; apoptosis inducer; epidermal growth factor receptor antagonist	low
asp3026	aromatic amine; diamino-1,3,5-triazine; monomethoxybenzene; N-methylpiperazine; piperidines; secondary amino compound; sulfone	antimalarial; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 6.1.1.6 (lysine--tRNA ligase) inhibitor	low
entrectinib	benzamides; difluorobenzene; indazoles; N-methylpiperazine; oxanes; secondary amino compound; secondary carboxamide	antibacterial agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
pexidartinib	aminopyridine; organochlorine compound; organofluorine compound; pyrrolopyridine; secondary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
TAK-580	1,3-thiazolecarboxamide; aminopyrimidine; chloropyridine; organofluorine compound; pyrimidinecarboxamide; secondary carboxamide	antineoplastic agent; apoptosis inducer; B-Raf inhibitor	low
glasdegib	benzimidazoles; nitrile; phenylureas; piperidines	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist	low
gsk 2126458	aromatic ether; difluorobenzene; pyridazines; pyridines; quinolines; sulfonamide	anticoronaviral agent; antineoplastic agent; autophagy inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor; radiosensitizing agent	low
ixazomib	benzamides; boronic acids; dichlorobenzene; glycine derivative	antineoplastic agent; apoptosis inducer; drug metabolite; orphan drug; proteasome inhibitor	low
cx 5461	diazepine; naphthyridine derivative; organic heterotetracyclic compound; pyrazines; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.7.6 (RNA polymerase) inhibitor	low
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol	benzyl alcohols; morpholines; pyridopyrimidine; tertiary amino compound	antineoplastic agent; apoptosis inducer; mTOR inhibitor	low
plx4032	aromatic ketone; difluorobenzene; monochlorobenzenes; pyrrolopyridine; sulfonamide	antineoplastic agent; B-Raf inhibitor	low
GDC-0623	hydroxamic acid ester; imidazopyridine; monofluorobenzenes; organoiodine compound; primary alcohol; secondary amino compound; substituted aniline	antineoplastic agent; apoptosis inducer; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor	low
INDY	benzothiazoles; enone; organic hydroxy compound	antineoplastic agent; drug metabolite; EC 2.7.12.1 (dual-specificity kinase) inhibitor	low
7,8-dihydroxyflavanone	dihydroxyflavanone	antineoplastic agent; metabolite	low
dabrafenib	1,3-thiazoles; aminopyrimidine; organofluorine compound; sulfonamide	anticoronaviral agent; antineoplastic agent; B-Raf inhibitor	low
cblc137	aromatic ketone; carbazoles; methyl ketone; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; NF-kappaB inhibitor; p53 activator	low
2,3-dihydro-3beta-O-sulfate withaferin A	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; steroid sulfate; withanolide	antineoplastic agent; metabolite; plant metabolite	low
leachianone a	4'-hydroxyflavanones; monomethoxyflavanone; trihydroxyflavanone	antimalarial; antineoplastic agent; metabolite	low
thiopental sodium	organochlorine compound; piperazines; pyrimidines	antineoplastic agent; tyrosine kinase inhibitor	low
EG00229	benzothiadiazole; dicarboxylic acid monoamide; L-arginine derivative; secondary carboxamide; sulfonamide; thiophenes	angiogenesis inhibitor; antineoplastic agent; neuropilin receptor antagonist	low
jadomycin b	glycoside; jadomycin; organic heteropentacyclic compound	antibacterial agent; antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor; bacterial metabolite	low
tak-632	(trifluoromethyl)benzenes; aromatic ether; benzothiazoles; cyclopropylcarboxamide; monofluorobenzenes; nitrile; secondary carboxamide	antineoplastic agent; apoptosis inducer; B-Raf inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; necroptosis inhibitor	low
chondramide a	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite	low
englerin a	cinnamate ester; glycolate ester; guaiane sesquiterpenoid	antineoplastic agent; metabolite	low
lrrk2-in1	aromatic amine; aromatic ether; N-acylpiperidine; N-alkylpiperazine; pyrimidobenzodiazepine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
jq1 compound	carboxylic ester; organochlorine compound; tert-butyl ester; thienotriazolodiazepine	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bromodomain-containing protein 4 inhibitor; cardioprotective agent; ferroptosis inducer	low
ML-210	C-nitro compound; diarylmethane; isoxazoles; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; tertiary carboxamide	antineoplastic agent; EC 1.11.1.9 (glutathione peroxidase) inhibitor; ferroptosis inducer; prodrug	low
eurycomanone	cyclic ether; delta-lactone; enone; organic heteropentacyclic compound; pentol; quassinoid; secondary alcohol; secondary alpha-hydroxy ketone; tertiary alcohol	antimalarial; antineoplastic agent; metabolite	low
gilteritinib	aromatic amine; monomethoxybenzene; N-methylpiperazine; oxanes; piperidines; primary carboxamide; pyrazines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
alectinib	aromatic ketone; morpholines; nitrile; organic heterotetracyclic compound; piperidines	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
ML240	aromatic amine; aromatic ether; benzimidazoles; primary amino compound; quinazolines; secondary amino compound	antineoplastic agent	low
torin 1	N-acylpiperazine; N-arylpiperazine; organofluorine compound; pyridoquinoline; quinolines	antineoplastic agent; mTOR inhibitor	low
abt-199	aromatic ether; C-nitro compound; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; N-sulfonylcarboxamide; oxanes; pyrrolopyridine	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor	low
pracinostat	benzimidazole; hydroxamic acid; olefinic compound; tertiary amino compound	antimalarial; antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor	low
physalin f	enone; epoxy steroid; lactone; physalin	antileishmanial agent; antimalarial; antineoplastic agent; apoptosis inducer; immunosuppressive agent	low
xl765	aromatic amine; aromatic ether; benzamides; quinoxaline derivative; sulfonamide	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor	low
DMH1	aromatic ether; pyrazolopyrimidine; quinolines	antineoplastic agent; bone morphogenetic protein receptor antagonist; protein kinase inhibitor	low
torin 2	aminopyridine; organofluorine compound; primary amino compound; pyridoquinoline	antineoplastic agent; mTOR inhibitor	low
oligomycin a	antibiotic antifungal agent; diketone; oligomycin; pentol	antineoplastic agent; EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor; nematicide	low
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-(4-(4-ethylpiperazin-1-yl)-phenylamino)pyrimidin-4-yl)-1-methylurea	aminopyrimidine; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; phenylureas	antineoplastic agent; fibroblast growth factor receptor antagonist	low
3alpha,12alpha-dihydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid	11-oxo steroid; 12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7-oxo steroid; monocarboxylic acid; secondary alpha-hydroxy ketone; steroid acid	antineoplastic agent; metabolite	low
3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid	11-oxo steroid; 3alpha-hydroxy steroid; 7-oxo steroid; monocarboxylic acid; steroid acid	antineoplastic agent; cholinergic antagonist; metabolite; serotonergic antagonist	low
chir 98014	aminopyrimidine; C-nitro compound; diaminopyridine; dichlorobenzene; imidazoles; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; hypoglycemic agent; tau aggregation inhibitor; Wnt signalling activator	low
gsk2656157	biaryl; indoles; methylpyridines; organofluorine compound; pyrrolopyrimidine; tertiary carboxamide	antineoplastic agent; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; PERK inhibitor	low
n-(2-(5-methoxy-2-oxo-2,3-dihydro-1h-indol-3-yl)ethyl)acetamide	acetamides; hydroxyindoles; tryptamines	antineoplastic agent; apoptosis inducer; plant metabolite	low
coumermycin	aromatic amide; coumarins; glycoside; heteroarenecarboxylate ester; pyrroles	antimicrobial agent; antineoplastic agent; bacterial metabolite; DNA synthesis inhibitor; Hsp90 inhibitor; topoisomerase IV inhibitor	low
lfm a13	aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor	low
AZD3463	aminopiperidine; aminopyrimidine; indoles; monomethoxybenzene; organochlorine compound; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
calicheamicin gamma(1)i	calicheamicin; enediyne antibiotic; organoiodine compound	antineoplastic agent; metabolite	low
asperfuranone	2-benzofurans; cyclic ketone; diol; polyketide; secondary alcohol; tertiary alcohol; tertiary alpha-hydroxy ketone	antineoplastic agent; fungal metabolite	low
ceritinib	aminopyrimidine; aromatic ether; organochlorine compound; piperidines; secondary amino compound; sulfone	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
pelabresib	monochlorobenzenes; organic heterotricyclic compound; primary carboxamide	antineoplastic agent; bromodomain-containing protein 4 inhibitor	low
MK-8353	aromatic ether; dihydropyridine; indazoles; methyl sulfide; N-alkylpyrrolidine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; triazoles	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
gsk2879552	benzenes; benzoic acids; cyclopropanes; monocarboxylic acid; piperidines; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor	low
ssr128129e	organic sodium salt	antineoplastic agent; fibroblast growth factor receptor antagonist	low
aspergillide a	bridged compound; cyclic ether; macrolide; secondary alcohol	antineoplastic agent; Aspergillus metabolite	low
capilliposide b	alpha-L-arabinopyranoside; bridged compound; cyclic ether; diol; hexacyclic triterpenoid; hexanoate ester; lactol; secondary alcohol; tetrasaccharide derivative; triterpenoid saponin	antineoplastic agent; plant metabolite	low
brasilicardin a	benzoate ester; carbotricyclic compound; diterpenoid; N-acetyl-D-glucosaminide; non-proteinogenic alpha-amino acid; phenols	antimicrobial agent; antineoplastic agent; bacterial metabolite; immunosuppressive agent	low
surfactin A	cyclodepsipeptide; lipopeptide antibiotic; macrocyclic lactone	antibacterial agent; antifungal agent; antineoplastic agent; antiviral agent; metabolite; surfactant	low
acp-196	aromatic amine; benzamides; imidazopyrazine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; ynone	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
gsk343	aminopyridine; indazoles; N-alkylpiperazine; N-arylpiperazine; pyridone; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor	low
myriaporone 3	beta-hydroxy ketone; epoxide; lactol; oxanes; primary alcohol; secondary alcohol	antineoplastic agent; metabolite	low
GSK1059615	pyridines; quinolines; thiazolidinone	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
osimertinib	acrylamides; aminopyrimidine; biaryl; indoles; monomethoxybenzene; secondary amino compound; secondary carboxamide; substituted aniline; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist	low
ivosidenib	cyanopyridine; monochlorobenzenes; organofluorine compound; pyrrolidin-2-ones; secondary carboxamide; tertiary carboxamide	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor	low
phleomycin d1	bi-1,3-thiazole; chelate-forming peptide; disaccharide derivative; glycopeptide; guanidines	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; bacterial metabolite	low
ly3009120	aminotoluene; aromatic amine; biaryl; monofluorobenzenes; phenylureas; pyridopyrimidine; secondary amino compound	antineoplastic agent; apoptosis inducer; autophagy inducer; B-Raf inhibitor; necroptosis inhibitor	low
pf-06463922	aminopyridine; aromatic ether; azamacrocycle; benzamides; cyclic ether; monofluorobenzenes; nitrile; organic heterotetracyclic compound; pyrazoles	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
as 1842856	organofluorine compound; primary amino compound; quinolinemonocarboxylic acid; quinolone; secondary amino compound; tertiary amino compound	anti-obesity agent; antineoplastic agent; apoptosis inducer; autophagy inhibitor; forkhead box protein O1 inhibitor; hypoglycemic agent	low
physalin d	5alpha-hydroxy steroid; 6beta-hydroxy steroid; cyclic ether; enone; lactone; organic heteroheptacyclic compound; physalin	antimalarial; antimycobacterial drug; antineoplastic agent	low
acarbose	chondramide; indoles; organochlorine compound; phenols	antineoplastic agent; bacterial metabolite	low
sr9243	bromobenzenes; sulfonamide; sulfone	antineoplastic agent; apoptosis inducer; liver X receptor inverse agonist	low
CCT251545	azaspiro compound; chloropyridine; pyrazoles	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; Wnt signalling inhibitor	low
ldc4297	aromatic ether; piperidines; pyrazoles; pyrazolotriazine; secondary amino compound	antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
hg-9-91-01	aminopyrimidine; dimethoxybenzene; N-alkylpiperazine; N-arylpiperazine; phenylureas; secondary amino compound	antineoplastic agent; salt-inducible kinase 2 inhibitor	low
cigb-300	heterodetic cyclic peptide; polypeptide	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
chondramide d	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite	low
bassianolide	cyclodepsipeptide; cyclooctadepsipeptide	antineoplastic agent; fungal metabolite; insecticide	low
enasidenib	1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor	low
BDA-366	anthraquinone; epoxide; secondary alcohol; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer	low
ebc-46	diester; diterpenoid; organic heteropentacyclic compound; phorbol ester	antineoplastic agent; plant metabolite; protein kinase C agonist	low
THZ531	aminopyrimidine; enamide; indoles; N-acylpiperidine; organochlorine compound; secondary amino compound; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
can 508	aromatic amine; monoazo compound; phenols; pyrazoles	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
levoleucovorin	5-formyltetrahydrofolic acid	antineoplastic agent; metabolite	low
rifampin	cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion	angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor	low
azaguanine	nucleobase analogue; triazolopyrimidines	antimetabolite; antineoplastic agent; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor	low
pemetrexed	N-acyl-L-glutamic acid; pyrrolopyrimidine	antimetabolite; antineoplastic agent; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; EC 2.1.1.45 (thymidylate synthase) inhibitor; EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor	low
tirapazamine	aromatic amine; benzotriazines; N-oxide	antibacterial agent; antineoplastic agent; apoptosis inducer	low
pyrazofurin	C-glycosyl compound; pyrazoles	antimetabolite; antimicrobial agent; antineoplastic agent; EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor	low
MMP-9-IN-1	aromatic compound; organic sulfide; organofluorine compound; pyrimidone; secondary carboxamide	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor	low
hydrazinocurcumin	aromatic ether; olefinic compound; polyphenol; pyrazoles	angiogenesis modulating agent; antineoplastic agent; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
9-arabinofuranosylguanine	beta-D-arabinoside; purine nucleoside	antineoplastic agent; DNA synthesis inhibitor	low
cerulomycin	aldoxime; aromatic ether; bipyridines; pyridine alkaloid	antineoplastic agent; bacterial metabolite; marine metabolite	low
undecylprodigiosin	alkaloid; aromatic ether; tripyrrole	antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; biological pigment; immunosuppressive agent; radiosensitizing agent	low
ver 52296	aromatic amide; isoxazoles; monocarboxylic acid amide; morpholines; resorcinols	angiogenesis inhibitor; antineoplastic agent; Hsp90 inhibitor	low
2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile	hydroxyindoles; morpholines; nitrile; pyridines; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; tau aggregation inhibitor	low
XL413	benzofuropyrimidine; organochlorine compound; pyrrolidines	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
pp242	aromatic amine; biaryl; hydroxyindoles; phenols; primary amino compound; pyrazolopyrimidine	antineoplastic agent; mTOR inhibitor	low
marineosin a	azaspiro compound; ether; macrocycle; oxaspiro compound; pyrroles	antineoplastic agent; metabolite	low
marineosin b	azaspiro compound; ether; macrocycle; oxaspiro compound; pyrroles	antineoplastic agent; metabolite	low
ARS-1620	quinazolines	antineoplastic agent; antiviral agent; inhibitor	low
sotorasib	acrylamides; methylpyridines; monofluorobenzenes; N-acylpiperazine; phenols; pyridopyrimidine; tertiary amino compound; tertiary carboxamide	antineoplastic agent	low

Substance	Classes	Roles	Relationship Strength
pd 173074	aromatic amine; biaryl; dimethoxybenzene; pyridopyrimidine; tertiary amino compound; ureas	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist	low
ro 48-8071	aromatic ether; aromatic ketone; bromobenzenes; monofluorobenzenes; olefinic compound; tertiary amino compound	antineoplastic agent; EC 5.4.99.7 (lanosterol synthase) inhibitor	low
rtki cpd	aromatic ether; monochlorobenzenes; quinazolines	antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector	low
alfuzosin	monocarboxylic acid amide; quinazolines; tetrahydrofuranol	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent	low
am 251	amidopiperidine; carbohydrazide; dichlorobenzene; organoiodine compound; pyrazoles	antidepressant; antineoplastic agent; apoptosis inducer; CB1 receptor antagonist	low
cgs 15943	aromatic amine; biaryl; furans; organochlorine compound; primary amino compound; quinazolines; triazoloquinazoline	adenosine A1 receptor antagonist; adenosine A2A receptor antagonist; antineoplastic agent; central nervous system stimulant	low
chlorambucil	aromatic amine; monocarboxylic acid; nitrogen mustard; organochlorine compound; tertiary amino compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent	low
cl 387785	bromobenzenes; quinazolines; secondary carboxamide; ynamide	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist	low
doxazosin	aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines	alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent	low
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide	benzamides; hydroxamic acid; secondary carboxamide; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor	low
meclofenamic acid	aminobenzoic acid; organochlorine compound; secondary amino compound	analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug	low
midazolam	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative	low
n(1), n(12)-diethylspermine	polyazaalkane; secondary amino compound; substituted spermine; tetramine	antineoplastic agent	low
pd 158780	aromatic amine; bromobenzenes; diamine; pyridopyrimidine; secondary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
pj-34	phenanthridines; secondary carboxamide; tertiary amino compound	angiogenesis inhibitor; anti-inflammatory agent; antiatherosclerotic agent; antineoplastic agent; apoptosis inducer; cardioprotective agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; neuroprotective agent	low
suramin	naphthalenesulfonic acid; phenylureas; secondary carboxamide	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug	low
terazosin	furans; piperazines; primary amino compound; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent	low
tilorone	aromatic ether; diether; fluoren-9-ones; tertiary amino compound	anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist	low
vincristine	acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator	low
glaucine	aporphine alkaloid; organic heterotetracyclic compound; polyether; tertiary amino compound	antibacterial agent; antineoplastic agent; antitussive; muscle relaxant; NF-kappaB inhibitor; plant metabolite; platelet aggregation inhibitor; rat metabolite	low
vindesine	methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; primary carboxamide; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent	low
brequinar	biphenyls; monocarboxylic acid; monofluorobenzenes; quinolinemonocarboxylic acid	anticoronaviral agent; antimetabolite; antineoplastic agent; antiviral agent; EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor; immunosuppressive agent; pyrimidine synthesis inhibitor	low
irinotecan	carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug	low
nelfinavir	aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound	antineoplastic agent; HIV protease inhibitor	low
plerixafor	azacycloalkane; azamacrocycle; benzenes; crown amine; secondary amino compound; tertiary amino compound	anti-HIV agent; antineoplastic agent; C-X-C chemokine receptor type 4 antagonist; immunological adjuvant	low
lonazolac	monocarboxylic acid; monochlorobenzenes; pyrazoles	antineoplastic agent; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug	low
voacamine	alkaloid ester; methyl ester; monoterpenoid indole alkaloid; organic heteropentacyclic compound; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; plant metabolite	low
3,4-dihydroxyphenylethanol	catechols; primary alcohol	antineoplastic agent; antioxidant; metabolite	low
cafestol	diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; hypoglycemic agent; plant metabolite	low
ecteinascidin 743	acetate ester; azaspiro compound; bridged compound; hemiaminal; isoquinoline alkaloid; lactone; organic heteropolycyclic compound; organic sulfide; oxaspiro compound; polyphenol; tertiary amino compound	alkylating agent; angiogenesis modulating agent; anti-inflammatory agent; antineoplastic agent; marine metabolite	low
kahweol	diterpenoid; furans; organic heteropentacyclic compound; primary alcohol; tertiary alcohol	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antioxidant; apoptosis inducer; plant metabolite	low
sc 58125	organofluorine compound; pyrazoles; sulfone	antineoplastic agent; cyclooxygenase 2 inhibitor	low
marimastat	hydroxamic acid; secondary carboxamide	antineoplastic agent; matrix metalloproteinase inhibitor	low
gefitinib	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist	low
nsc 224070	1,4-benzoquinones; aziridines; enamine; primary alcohol; secondary amino compound	alkylating agent; antineoplastic agent	low
vatalanib	monochlorobenzenes; phthalazines; pyridines; secondary amino compound	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist	low
cyc 682	nitrile; nucleoside analogue; secondary carboxamide	antimetabolite; antineoplastic agent; DNA synthesis inhibitor; prodrug	low
canertinib	monochlorobenzenes; morpholines; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor	low
actinodaphine	aporphine alkaloid; aromatic ether; organic heteropentacyclic compound; phenols; secondary amino compound	antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; plant metabolite; platelet aggregation inhibitor; topoisomerase inhibitor	low
albicanol	carbobicyclic compound; homoallylic alcohol; primary alcohol; sesquiterpenoid	antifeedant; antifungal agent; antineoplastic agent; fungal metabolite; mammalian metabolite; marine metabolite; plant metabolite	low
erlotinib	aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound	antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor	low
top 53	furonaphthodioxole; gamma-lactone; organic heterotetracyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	low
lapatinib	furans; organochlorine compound; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor	low
2-(4-morpholinoanilino)-6-cyclohexylaminopurine	morpholines; purines; secondary amino compound; tertiary amino compound	adenosine A3 receptor antagonist; antineoplastic agent; Aurora kinase inhibitor; cell dedifferentiation agent	low
l 778,123	imidazoles; monochlorobenzenes; nitrile; piperazinone; tertiary amino compound	antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor	low
demecolcine	alkaloid; secondary amino compound	antineoplastic agent; microtubule-destabilising agent	low
vincaleukoblastine	acetate ester; indole alkaloid fundamental parent; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; immunosuppressive agent; microtubule-destabilising agent; plant metabolite	low
withaferin a	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; enone; epoxy steroid; ergostanoid; primary alcohol; secondary alcohol; withanolide	antineoplastic agent; apoptosis inducer	low
noscapine	aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound	antineoplastic agent; antitussive; apoptosis inducer; plant metabolite	low
gant 61	aminal; dialkylarylamine; pyridines; substituted aniline; tertiary amino compound	antineoplastic agent; apoptosis inducer; glioma-associated oncogene inhibitor; Hedgehog signaling pathway inhibitor	low
afimoxifene	phenols; tertiary amino compound	antineoplastic agent; estrogen receptor antagonist; metabolite	low
s 1033	(trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor	low
cct018159	benzodioxine; pyrazoles; resorcinols	antineoplastic agent; apoptosis inducer; Hsp90 inhibitor	low
tamoxifen	stilbenoid; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator	low
bms 387032	1,3-oxazoles; 1,3-thiazoles; organic sulfide; piperidinecarboxamide; secondary carboxamide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
ospemifene	aromatic ether; organochlorine compound; primary alcohol	anti-inflammatory agent; antineoplastic agent; estrogen receptor modulator	low
tandutinib	aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; piperidines; quinazolines; tertiary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
dasatinib	1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor	low
zd 6474	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor	low
sc 560	aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug	low
plaunotol	diterpenoid; primary alcohol	anti-ulcer drug; antibacterial agent; antineoplastic agent; apoptosis inducer; nephroprotective agent; plant metabolite; vulnerary	low
tranilast	amidobenzoic acid; cinnamamides; dimethoxybenzene; secondary carboxamide	anti-allergic agent; anti-asthmatic drug; antineoplastic agent; aryl hydrocarbon receptor agonist; calcium channel blocker; hepatoprotective agent; nephroprotective agent	low
alvocidib	dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound	antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
andrographolide	carbobicyclic compound; gamma-lactone; labdane diterpenoid; primary alcohol; secondary alcohol	anti-HIV agent; anti-inflammatory drug; antineoplastic agent; metabolite	low
bosutinib	aminoquinoline; aromatic ether; dichlorobenzene; N-methylpiperazine; nitrile; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor	low
palbociclib	aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
batimastat	hydroxamic acid; L-phenylalanine derivative; organic sulfide; secondary carboxamide; thiophenes; triamide	angiogenesis inhibitor; antineoplastic agent; matrix metalloproteinase inhibitor	low
pederin	cyclic ketal; diol; oxanes; polyketide; secondary alcohol; secondary carboxamide	antimitotic; antineoplastic agent; bacterial metabolite; vesicant	low
manumycin	enamide; epoxide; organic heterobicyclic compound; polyketide; secondary carboxamide; tertiary alcohol	antiatherosclerotic agent; antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; marine metabolite	low
asukamycin	enamide; epoxide; organic heterobicyclic compound; polyketide; secondary carboxamide; tertiary alcohol	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; bacterial metabolite	low
everolimus	cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol	anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor	low
l 744832	benzenes; ether; isopropyl ester; secondary carboxamide; sulfone; thiol	antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; geroprotector	low
tanespimycin	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound; secondary amino compound	antineoplastic agent; apoptosis inducer; Hsp90 inhibitor	low
panobinostat	cinnamamides; hydroxamic acid; methylindole; secondary amino compound	angiogenesis modulating agent; antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor	low
pd 0325901	difluorobenzene; hydroxamic acid ester; monofluorobenzenes; organoiodine compound; propane-1,2-diols; secondary amino compound	antineoplastic agent; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor	low
muromonab-cd3	alkaloid; macrocycle; organic heteropentacyclic compound; organonitrogen heterocyclic compound; oxacycle; tertiary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; IP3 receptor antagonist; marine metabolite	low
mocetinostat	aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline	antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent	low
scio-469	aromatic amide; aromatic ketone; chloroindole; dicarboxylic acid diamide; indolecarboxamide; monofluorobenzenes; N-acylpiperazine; N-alkylpiperazine	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
pi103	aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor	low
fty 720p	monoalkyl phosphate; primary alcohol; primary amino compound	antineoplastic agent; immunosuppressive agent; sphingosine-1-phosphate receptor agonist	low
zm 447439	aromatic ether; benzamides; morpholines; polyether; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor	low
rucaparib	azepinoindole; caprolactams; organofluorine compound; secondary amino compound	antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	low
NNC 55-0396 (free base)	benzimidazoles; cyclopropanecarboxylate ester; organofluorine compound; tertiary amino compound; tetralins	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; neuroprotective agent; potassium channel blocker; T-type calcium channel blocker	low
sch 51344	aromatic amine; aromatic ether; primary alcohol; pyrazoloquinoline; secondary amino compound	antineoplastic agent	low
osu 03012	antibiotic antifungal drug; aromatic amide; glycine derivative; organofluorine compound; phenanthrenes; pyrazoles	antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
ly2090314	diazepinoindole; imidazopyridine; maleimides; monofluorobenzenes; piperidinecarboxamide; ureas	antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator	low
pateamine a	1,3-thiazoles; macrodiolide; olefinic compound; primary amino compound; tertiary amino compound	antineoplastic agent; antiviral agent; eukaryotic initiation factor 4F inhibitor; marine metabolite	low
avenanthramide b	amidobenzoic acid; cinnamamides; monohydroxybenzoic acid; monomethoxybenzene; phenols; secondary carboxamide	antineoplastic agent; apoptosis inducer; phytoalexin	low
azd 6244	benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
azd2858	aromatic amine; N-methylpiperazine; pyrazines; pyridines; secondary carboxamide; sulfonamide	antineoplastic agent; bone density conservation agent; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator	low
bibw 2992	aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor	low
binimetinib	benzimidazoles; bromobenzenes; hydroxamic acid ester; monofluorobenzenes; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
saracatinib	aromatic ether; benzodioxoles; diether; N-methylpiperazine; organochlorine compound; oxanes; quinazolines; secondary amino compound	anticoronaviral agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; radiosensitizing agent	low
crenolanib	aminopiperidine; aromatic ether; benzimidazoles; oxetanes; quinolines; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
pha 665752	dichlorobenzene; enamide; indolones; N-acylpyrrolidine; pyrrolecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide	antineoplastic agent; c-Met tyrosine kinase inhibitor	low
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside	aromatic ether; benzyl alcohols; beta-D-glucoside; monosaccharide derivative; primary alcohol	antineoplastic agent; metabolite	low
regorafenib	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide	antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor	low
at 7867	monochlorobenzenes; piperidines; pyrazoles	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
erastin	aromatic ether; diether; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; quinazolines; tertiary carboxamide	antineoplastic agent; ferroptosis inducer; voltage-dependent anion channel inhibitor	low
abt-737	aromatic amine; aryl sulfide; biphenyls; C-nitro compound; monochlorobenzenes; N-arylpiperazine; N-sulfonylcarboxamide; secondary amino compound; tertiary amino compound	anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor	low
at 7519	dichlorobenzene; piperidines; pyrazoles; secondary carboxamide	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
azd 1152	anilide; monoalkyl phosphate; monofluorobenzenes; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor; prodrug	low
pf 00299804	enamide; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist	low
idelalisib	aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	low
lyoniresinol	dimethoxybenzene; lignan; polyphenol; primary alcohol; tetralins	antineoplastic agent; metabolite	low
GDC-0879	indanes; ketoxime; primary alcohol; pyrazoles; pyridines	antineoplastic agent; B-Raf inhibitor	low
5,7-dihydroxy-2-methyl-8-(4-(3-hydroxy-1-methyl)-piperidinyl)-4h-1-benzopyran-4-one	alkaloid; chromones; hydroxypiperidine; resorcinols; tertiary amino compound	anti-inflammatory agent; anti-ulcer drug; anticholesteremic drug; antileishmanial agent; antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; fungal metabolite; plant metabolite	low
mdv 3100	(trifluoromethyl)benzenes; benzamides; imidazolidinone; monofluorobenzenes; nitrile; thiocarbonyl compound	androgen antagonist; antineoplastic agent	low
gdc-0973	aromatic amine; difluorobenzene; N-acylazetidine; organoiodine compound; piperidines; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
pevonedistat	cyclopentanols; indanes; pyrrolopyrimidine; secondary amino compound; sulfamidate	antineoplastic agent; apoptosis inducer	low
tg101209	N-alkylpiperazine; N-arylpiperazine; pyrimidines; secondary amino compound; sulfonamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
ku 0063794	benzyl alcohols; monomethoxybenzene; morpholines; pyridopyrimidine; tertiary amino compound	antineoplastic agent; mTOR inhibitor	low
sm 164	benzenes; organic heterobicyclic compound; secondary carboxamide; triazoles	antineoplastic agent; apoptosis inducer; radiosensitizing agent	low
olaparib	cyclopropanes; monofluorobenzenes; N-acylpiperazine; phthalazines	antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	low
lcl161	1,3-thiazoles; aromatic ketone; L-alanine derivative; monofluorobenzenes; N-acylpyrrolidine	antineoplastic agent; apoptosis inducer	low
tenovin-6	monocarboxylic acid amide; tertiary amino compound; thioureas	antineoplastic agent; p53 activator; Sir2 inhibitor	low
lde225	aminopyridine; aromatic ether; benzamides; biphenyls; morpholines; organofluorine compound; tertiary amino compound	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist	low
bms 754807	pyrazoles; pyridines; pyrrolidines; pyrrolotriazine	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
sch772984	biaryl; indazoles; N-acylpiperazine; N-alkylpyrrolidine; N-arylpiperazine; pyridines; pyrimidines; pyrrolidinecarboxamide; secondary carboxamide; tertiary amino compound; tertiary carboxamide	analgesic; antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
navitoclax	aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor	low
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide	aminopyrimidine; benzamides; morpholines; nitrile; secondary amino compound; tertiary amino compound	anti-anaemic agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
incb-018424	nitrile; pyrazoles; pyrrolopyrimidine	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
poziotinib	acrylamides; aromatic ether; dichlorobenzene; diether; monofluorobenzenes; N-acylpiperidine; quinazolines; secondary amino compound; substituted aniline	antineoplastic agent; apoptosis inducer; epidermal growth factor receptor antagonist	low
asp3026	aromatic amine; diamino-1,3,5-triazine; monomethoxybenzene; N-methylpiperazine; piperidines; secondary amino compound; sulfone	antimalarial; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 6.1.1.6 (lysine--tRNA ligase) inhibitor	low
entrectinib	benzamides; difluorobenzene; indazoles; N-methylpiperazine; oxanes; secondary amino compound; secondary carboxamide	antibacterial agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
pexidartinib	aminopyridine; organochlorine compound; organofluorine compound; pyrrolopyridine; secondary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
TAK-580	1,3-thiazolecarboxamide; aminopyrimidine; chloropyridine; organofluorine compound; pyrimidinecarboxamide; secondary carboxamide	antineoplastic agent; apoptosis inducer; B-Raf inhibitor	low
cx 5461	diazepine; naphthyridine derivative; organic heterotetracyclic compound; pyrazines; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.7.6 (RNA polymerase) inhibitor	low
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol	benzyl alcohols; morpholines; pyridopyrimidine; tertiary amino compound	antineoplastic agent; apoptosis inducer; mTOR inhibitor	low
GDC-0623	hydroxamic acid ester; imidazopyridine; monofluorobenzenes; organoiodine compound; primary alcohol; secondary amino compound; substituted aniline	antineoplastic agent; apoptosis inducer; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor	low
cblc137	aromatic ketone; carbazoles; methyl ketone; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; NF-kappaB inhibitor; p53 activator	low
2,3-dihydro-3beta-O-sulfate withaferin A	27-hydroxy steroid; 4-hydroxy steroid; delta-lactone; epoxy steroid; ergostanoid; primary alcohol; steroid sulfate; withanolide	antineoplastic agent; metabolite; plant metabolite	low
EG00229	benzothiadiazole; dicarboxylic acid monoamide; L-arginine derivative; secondary carboxamide; sulfonamide; thiophenes	angiogenesis inhibitor; antineoplastic agent; neuropilin receptor antagonist	low
tak-632	(trifluoromethyl)benzenes; aromatic ether; benzothiazoles; cyclopropylcarboxamide; monofluorobenzenes; nitrile; secondary carboxamide	antineoplastic agent; apoptosis inducer; B-Raf inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; necroptosis inhibitor	low
lrrk2-in1	aromatic amine; aromatic ether; N-acylpiperidine; N-alkylpiperazine; pyrimidobenzodiazepine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
gilteritinib	aromatic amine; monomethoxybenzene; N-methylpiperazine; oxanes; piperidines; primary carboxamide; pyrazines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
ML240	aromatic amine; aromatic ether; benzimidazoles; primary amino compound; quinazolines; secondary amino compound	antineoplastic agent	low
pracinostat	benzimidazole; hydroxamic acid; olefinic compound; tertiary amino compound	antimalarial; antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor	low
chir 98014	aminopyrimidine; C-nitro compound; diaminopyridine; dichlorobenzene; imidazoles; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; hypoglycemic agent; tau aggregation inhibitor; Wnt signalling activator	low
lfm a13	aromatic amide; dibromobenzene; enamide; enol; nitrile; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 2.7.11.21 (polo kinase) inhibitor; geroprotector; platelet aggregation inhibitor	low
AZD3463	aminopiperidine; aminopyrimidine; indoles; monomethoxybenzene; organochlorine compound; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
ceritinib	aminopyrimidine; aromatic ether; organochlorine compound; piperidines; secondary amino compound; sulfone	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
MK-8353	aromatic ether; dihydropyridine; indazoles; methyl sulfide; N-alkylpyrrolidine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; triazoles	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	low
gsk2879552	benzenes; benzoic acids; cyclopropanes; monocarboxylic acid; piperidines; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor	low
acp-196	aromatic amine; benzamides; imidazopyrazine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; ynone	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	low
gsk343	aminopyridine; indazoles; N-alkylpiperazine; N-arylpiperazine; pyridone; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor	low
myriaporone 3	beta-hydroxy ketone; epoxide; lactol; oxanes; primary alcohol; secondary alcohol	antineoplastic agent; metabolite	low
osimertinib	acrylamides; aminopyrimidine; biaryl; indoles; monomethoxybenzene; secondary amino compound; secondary carboxamide; substituted aniline; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist	low
ivosidenib	cyanopyridine; monochlorobenzenes; organofluorine compound; pyrrolidin-2-ones; secondary carboxamide; tertiary carboxamide	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor	low
ly3009120	aminotoluene; aromatic amine; biaryl; monofluorobenzenes; phenylureas; pyridopyrimidine; secondary amino compound	antineoplastic agent; apoptosis inducer; autophagy inducer; B-Raf inhibitor; necroptosis inhibitor	low
pf-06463922	aminopyridine; aromatic ether; azamacrocycle; benzamides; cyclic ether; monofluorobenzenes; nitrile; organic heterotetracyclic compound; pyrazoles	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	low
as 1842856	organofluorine compound; primary amino compound; quinolinemonocarboxylic acid; quinolone; secondary amino compound; tertiary amino compound	anti-obesity agent; antineoplastic agent; apoptosis inducer; autophagy inhibitor; forkhead box protein O1 inhibitor; hypoglycemic agent	low
CCT251545	azaspiro compound; chloropyridine; pyrazoles	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; Wnt signalling inhibitor	low
ldc4297	aromatic ether; piperidines; pyrazoles; pyrazolotriazine; secondary amino compound	antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
hg-9-91-01	aminopyrimidine; dimethoxybenzene; N-alkylpiperazine; N-arylpiperazine; phenylureas; secondary amino compound	antineoplastic agent; salt-inducible kinase 2 inhibitor	low
enasidenib	1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor	low
BDA-366	anthraquinone; epoxide; secondary alcohol; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer	low
THZ531	aminopyrimidine; enamide; indoles; N-acylpiperidine; organochlorine compound; secondary amino compound; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
can 508	aromatic amine; monoazo compound; phenols; pyrazoles	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	low
pyrazofurin	C-glycosyl compound; pyrazoles	antimetabolite; antimicrobial agent; antineoplastic agent; EC 4.1.1.23 (orotidine-5'-phosphate decarboxylase) inhibitor	low
MMP-9-IN-1	aromatic compound; organic sulfide; organofluorine compound; pyrimidone; secondary carboxamide	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor	low
hydrazinocurcumin	aromatic ether; olefinic compound; polyphenol; pyrazoles	angiogenesis modulating agent; antineoplastic agent; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	low
2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile	hydroxyindoles; morpholines; nitrile; pyridines; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; tau aggregation inhibitor	low
ARS-1620	quinazolines	antineoplastic agent; antiviral agent; inhibitor	low
sotorasib	acrylamides; methylpyridines; monofluorobenzenes; N-acylpiperazine; phenols; pyridopyrimidine; tertiary amino compound; tertiary carboxamide	antineoplastic agent	low

Substance	Studies	Classes	Roles	First Year	Last Year	Average Age	Relationship Strength	2000's	2010's	post-2020
pk 11195	2	aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes	antineoplastic agent	2019	2020	4.5	low	0	2	0
jtv519	2			2019	2020	4.5	high	0	2	0
alprazolam	2	organochlorine compound; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic	2019	2020	4.5	low	0	2	0
dan 2163	2	aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone	environmental contaminant; second generation antipsychotic; xenobiotic	2019	2020	4.5	low	0	2	0
amlexanox	2	monocarboxylic acid; pyridochromene	anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug	2019	2020	4.5	low	0	2	0
astemizole	2	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist	2019	2020	4.5	low	0	2	0
benzbromarone	2	1-benzofurans; aromatic ketone	uricosuric drug	2019	2020	4.5	low	0	2	0
2-cyano-3-(3,4-dihydroxyphenyl)-N-(phenylmethyl)-2-propenamide	1	hydroxycinnamic acid		2011	2011	13.0	medium	0	1	0
bisindolylmaleimide i	2			2019	2020	4.5	low	0	2	0
bufexamac	2	aromatic ether; hydroxamic acid	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug	2019	2020	4.5	low	0	2	0
cadralazine	2	organic molecular entity		2019	2020	4.5	low	0	2	0
carvedilol	2	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent	2019	2020	4.5	low	0	2	0
cetirizine	2	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic	2019	2020	4.5	low	0	2	0
chlorcyclizine	2	diarylmethane		2019	2020	4.5	low	0	2	0
chloroquine	1	aminoquinoline; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; antirheumatic drug; autophagy inhibitor; dermatologic drug	2019	2019	5.0	low	0	1	0
ci 994	2	acetamides; benzamides; substituted aniline	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor	2019	2020	4.5	low	0	2	0
cyclosporine	1			2020	2020	4.0	medium	0	1	0
n(6),n(6)-dimethyladenine	1	tertiary amine		2011	2011	13.0	low	0	1	0
fenbendazole	2	aryl sulfide; benzimidazoles; carbamate ester	antinematodal drug	2019	2020	4.5	low	0	2	0
go 6976	3	indolocarbazole; organic heterohexacyclic compound	EC 2.7.11.13 (protein kinase C) inhibitor	2011	2020	7.3	low	0	3	0
gw8510	1			2011	2011	13.0	low	0	1	0
N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide	1	bromobenzenes; isoquinolines; olefinic compound; secondary amino compound; sulfonamide	EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor	2011	2011	13.0	medium	0	1	0
fasudil	2	isoquinolines; N-sulfonyldiazepane	antihypertensive agent; calcium channel blocker; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; geroprotector; neuroprotective agent; nootropic agent; vasodilator agent	2011	2017	10.0	low	0	2	0
haloperidol	2	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist	2019	2020	4.5	low	0	2	0
homochlorocyclizine	2	diarylmethane		2019	2020	4.5	low	0	2	0
hydroxyzine	2	hydroxyether; monochlorobenzenes; N-alkylpiperazine	anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist	2019	2020	4.5	low	0	2	0
ifenprodil	2	piperidines		2019	2020	4.5	low	0	2	0
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazoline	1			2017	2017	7.0	low	0	1	0
1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanone	2	naphthalenes		2019	2020	4.5	low	0	2	0
nsc 664704	1	indolobenzazepine; lactam; organobromine compound	cardioprotective agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; geroprotector	2011	2011	13.0	low	0	1	0
ketamine	2	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic	2019	2020	4.5	low	0	2	0
ketoprofen	2	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic	2019	2020	4.5	low	0	2	0
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one	1	chromones; morpholines; organochlorine compound	autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector	2011	2011	13.0	low	0	1	0
mebendazole	2	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator	2019	2020	4.5	low	0	2	0
mephenesin	2	aromatic ether; glycerol ether		2019	2020	4.5	low	0	2	0
niclosamide	2	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor	2019	2020	4.5	low	0	2	0
olomoucine	1	2,6-diaminopurines; ethanolamines	EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	2011	2011	13.0	low	0	1	0
oxibendazole	2	benzimidazoles; carbamate ester		2019	2020	4.5	low	0	2	0
4-(2'-methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-iodobenzamido)ethyl)piperazine	2			2019	2020	4.5	low	0	2	0
pd 153035	1	aromatic amine; aromatic ether; bromobenzenes; quinazolines; secondary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist	2019	2019	5.0	low	0	1	0
perphenazine	2	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug	2019	2020	4.5	low	0	2	0
3,3',4,5'-tetrahydroxystilbene	1	stilbenoid		2011	2011	13.0	medium	0	1	0
pimobendan	2	benzimidazoles; pyridazinone	cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent	2019	2020	4.5	low	0	2	0
ag 1879	3	aromatic amine; monochlorobenzenes; pyrazolopyrimidine	beta-adrenergic antagonist; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector	2011	2020	7.3	low	0	3	0
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one	1	indoles		2020	2020	4.0	low	0	1	0
ro 31-8220	2	imidothiocarbamic ester; indoles; maleimides	EC 2.7.11.13 (protein kinase C) inhibitor	2019	2020	4.5	low	0	2	0
ropinirole	2	indolones; tertiary amine	antidyskinesia agent; antiparkinson drug; central nervous system drug; dopamine agonist	2019	2020	4.5	low	0	2	0
sb 220025	1	aminopyrimidine; imidazoles; organofluorine compound; piperidines	angiogenesis inhibitor; anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	2011	2011	13.0	low	0	1	0
sb 239063	1	imidazoles		2011	2011	13.0	low	0	1	0
sb 202190	3	imidazoles; organofluorine compound; phenols; pyridines	apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	2008	2011	14.0	low	1	2	0
imatinib	7	aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines	antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor	2008	2020	11.0	low	1	6	0
vorinostat	2	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor	2019	2020	4.5	low	0	2	0
gatifloxacin	1	N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	2011	2011	13.0	low	0	1	0
2-[4-(4-chloro-1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine	1	stilbenoid		2020	2020	4.0	medium	0	1	0
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole	2	aromatic primary alcohol; furans; indazoles	antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent	2019	2020	4.5	low	0	2	0
zotepine	2	dibenzothiepine; tertiary amino compound	alpha-adrenergic drug; second generation antipsychotic; serotonergic drug	2019	2020	4.5	low	0	2	0
colchicine	2	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen	2019	2020	4.5	low	0	2	0
benziodarone	2	aromatic ketone		2019	2020	4.5	low	0	2	0
cyclizine	1	N-alkylpiperazine	antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist; local anaesthetic	2019	2019	5.0	low	0	1	0
trehalose	2	trehalose	Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite	2019	2020	4.5	low	0	2	0
triclocarban	2	dichlorobenzene; monochlorobenzenes; phenylureas	antimicrobial agent; antiseptic drug; disinfectant; environmental contaminant; xenobiotic	2019	2020	4.5	low	0	2	0
1,3-diphenylurea	1	phenylureas	cytokinin; plant metabolite	2011	2011	13.0	low	0	1	0
pyrazolanthrone	1	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector	2011	2011	13.0	low	0	1	0
4-tert-octylphenol	2	alkylbenzene		2019	2020	4.5	low	0	2	0
ethamivan	2	methoxybenzenes; phenols		2019	2020	4.5	low	0	2	0
methysergide	2	ergoline alkaloid		2019	2020	4.5	low	0	2	0
emetine	2	isoquinoline alkaloid; pyridoisoquinoline	antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor	2019	2020	4.5	low	0	2	0
podophyllotoxin	2	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator	2019	2020	4.5	low	0	2	0
etonitazene	2			2019	2020	4.5	low	0	2	0
clothiapine	2	dibenzothiazepine		2019	2020	4.5	low	0	2	0
benperidol	2	aromatic ketone		2019	2020	4.5	low	0	2	0
7-hydroxychlorpromazine	2	phenothiazines		2019	2020	4.5	low	0	2	0
camptothecin	2	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite	2019	2020	4.5	low	0	2	0
thenalidine	2	dialkylarylamine; tertiary amino compound		2019	2020	4.5	low	0	2	0
bromocriptine	2	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist	2019	2020	4.5	low	0	2	0
dexchlorpheniramine	2	chlorphenamine		2019	2020	4.5	low	0	2	0
dv 1006	2			2019	2020	4.5	medium	0	2	0
climbazole	2	aromatic ether; hemiaminal ether; imidazoles; ketone; monochlorobenzenes		2019	2020	4.5	low	0	2	0
triadimenol	2	aromatic ether; conazole fungicide; hemiaminal ether; monochlorobenzenes; secondary alcohol; triazole fungicide	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; xenobiotic metabolite	2019	2020	4.5	medium	0	2	0
triciribine phosphate	1			2017	2017	7.0	low	0	1	0
staurosporine	4	indolocarbazole alkaloid; organic heterooctacyclic compound	apoptosis inducer; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; geroprotector	2008	2014	13.0	low	1	3	0
amonafide	2	isoquinolines		2019	2020	4.5	low	0	2	0
flupirtine	2	aminopyridine		2019	2020	4.5	low	0	2	0
chaetochromin	2			2019	2020	4.5	medium	0	2	0
enoximone	2	aromatic ketone		2019	2020	4.5	low	0	2	0
aripiprazole	2	aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone	drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist	2019	2020	4.5	low	0	2	0
norharman	1	beta-carbolines; mancude organic heterotricyclic parent	fungal metabolite; marine metabolite	2011	2011	13.0	low	0	1	0
aloxistatin	1	epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide	anticoronaviral agent; cathepsin B inhibitor	2019	2019	5.0	low	0	1	0
indocate	2			2019	2020	4.5	medium	0	2	0
N(4)-acetylsulfathiazole	2	1,3-thiazoles; acetamides; sulfonamide	marine xenobiotic metabolite	2019	2020	4.5	high	0	2	0
cyclizine hydrochloride	1			2020	2020	4.0	low	0	1	0
2,3-trimethylene-4-quinazolone	2	quinazolines		2019	2020	4.5	low	0	2	0
1,3-dimethyluric acid	2	oxopurine	metabolite	2019	2020	4.5	low	0	2	0
danofloxacin	2	quinolines		2019	2020	4.5	low	0	2	0
nitrefazole	2	imidazoles		2019	2020	4.5	low	0	2	0
methotrimeprazine	2	phenothiazines; tertiary amine	anticoronaviral agent; cholinergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; non-narcotic analgesic; phenothiazine antipsychotic drug; serotonergic antagonist	2019	2020	4.5	low	0	2	0
honokiol	2	biphenyls		2019	2020	4.5	low	0	2	0
picropodophyllin	1	furonaphthodioxole; lignan; organic heterotetracyclic compound	antineoplastic agent; insulin-like growth factor receptor 1 antagonist; plant metabolite; tyrosine kinase inhibitor	2017	2017	7.0	low	0	1	0
9-methoxyellipticine	2			2019	2020	4.5	low	0	2	0
3-aminophenoxazone	2	phenoxazine		2019	2020	4.5	low	0	2	0
3-deazaneplanocin	2			2019	2020	4.5	low	0	2	0
tryptanthrine	2	alkaloid antibiotic; organic heterotetracyclic compound; organonitrogen heterocyclic compound		2019	2020	4.5	low	0	2	0
2-chlorodiazepam	2			2019	2020	4.5	low	0	2	0
Polycartine B	2	phenazines		2019	2020	4.5	high	0	2	0
aminoquinuride dihydrochloride	2			2019	2020	4.5	medium	0	2	0
thioproperazine mesylate	2	phenothiazines		2019	2020	4.5	medium	0	2	0
n(6)-(delta(2)-isopentenyl)adenine	2	6-isopentenylaminopurine	cytokinin	2019	2020	4.5	low	0	2	0
4-methyl-N-(phenylmethyl)benzenesulfonamide	2	sulfonamide		2019	2020	4.5	medium	0	2	0
eupatorin	1	dihydroxyflavone; polyphenol; trimethoxyflavone	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; Brassica napus metabolite; calcium channel blocker; P450 inhibitor; vasodilator agent	2011	2011	13.0	low	0	1	0
zpck	2			2019	2020	4.5	low	0	2	0
sr141716	2	amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles	anti-obesity agent; appetite depressant; CB1 receptor antagonist	2019	2020	4.5	low	0	2	0
(6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide	1	aromatic ketone		2020	2020	4.0	medium	0	1	0
fingolimod	2	aminodiol; primary amino compound	antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist	2019	2020	4.5	low	0	2	0
tesmilifene	2	diarylmethane		2019	2020	4.5	low	0	2	0
sr 27897	2	indolyl carboxylic acid		2019	2020	4.5	low	0	2	0
gefitinib	6	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist	2008	2019	11.2	low	1	5	0
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine	2	leucine derivative		2019	2020	4.5	low	0	2	0
norketamine	2	organochlorine compound		2019	2020	4.5	low	0	2	0
indatraline	2	indanes		2019	2020	4.5	low	0	2	0
lestaurtinib	2	indolocarbazole		2011	2017	10.0	low	0	2	0
methotrexate	2	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent	2019	2020	4.5	low	0	2	0
salvinorin a	1	organic heterotricyclic compound; organooxygen compound	metabolite; oneirogen	2019	2019	5.0	low	0	1	0
4-diethoxyphosphorylmethyl-n-(4-bromo-2-cyanophenyl)benzamide	2			2019	2020	4.5	low	0	2	0
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide	2	phenylindole		2019	2020	4.5	low	0	2	0
ns 1608	1	ureas		2011	2011	13.0	medium	0	1	0
l 741626	2	piperidines		2019	2020	4.5	low	0	2	0
perifosine	1	ammonium betaine; phospholipid	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	2017	2017	7.0	low	0	1	0
dx 8951	2	pyranoindolizinoquinoline		2019	2020	4.5	low	0	2	0
vatalanib	6	monochlorobenzenes; phthalazines; pyridines; secondary amino compound	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist	2008	2017	12.2	low	1	5	0
ruboxistaurin	4			2008	2017	12.2	low	1	3	0
canertinib dihydrochloride	1			2011	2011	13.0	low	0	1	0
canertinib	4	monochlorobenzenes; morpholines; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor	2008	2019	10.2	low	1	3	0
birb 796	5	aromatic ether; morpholines; naphthalenes; pyrazoles; ureas	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; immunomodulator	2008	2013	13.2	low	1	4	0
tipifarnib	2	imidazoles; monochlorobenzenes; primary amino compound; quinolone	antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor	2019	2020	4.5	low	0	2	0
cyc 202	5	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	2008	2020	9.0	low	1	4	0
avasimibe	2	monoterpenoid		2019	2020	4.5	low	0	2	0
sb 203580	4	imidazoles; monofluorobenzenes; pyridines; sulfoxide	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent	2008	2011	13.8	low	1	3	0
enzastaurin	2	indoles; maleimides		2011	2017	10.0	low	0	2	0
erlotinib	7	aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound	antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor	2008	2019	11.1	low	1	6	0
l 163191	2			2019	2020	4.5	low	0	2	0
dizocilpine	2	secondary amino compound; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist	2019	2020	4.5	low	0	2	0
s-benzylcysteine	2	S-aryl-L-cysteine zwitterion		2019	2020	4.5	high	0	2	0
chelidonine	2	alkaloid antibiotic; alkaloid fundamental parent; benzophenanthridine alkaloid		2019	2020	4.5	low	0	2	0
orantinib	1	monocarboxylic acid; oxindoles; pyrroles	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist	2011	2011	13.0	medium	0	1	0
lapatinib	8	furans; organochlorine compound; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor	2008	2020	9.5	low	1	7	0
2-(4-morpholinoanilino)-6-cyclohexylaminopurine	1	morpholines; purines; secondary amino compound; tertiary amino compound	adenosine A3 receptor antagonist; antineoplastic agent; Aurora kinase inhibitor; cell dedifferentiation agent	2020	2020	4.0	low	0	1	0
sorafenib	6	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide	angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor	2008	2017	12.0	low	1	5	0
roxindole	2	indoles	alpha-adrenergic antagonist; serotonergic drug	2019	2020	4.5	low	0	2	0
conidendrin	2			2019	2020	4.5	high	0	2	0
Porfiromycine	2	mitomycin		2019	2020	4.5	high	0	2	0
nsc 95397	2	1,4-naphthoquinones		2019	2020	4.5	low	0	2	0
4-methyl-2-quinazolinamine	2			2019	2020	4.5	high	0	2	0
2-glycineamide-5-chlorophenyl-2-pyrryl ketone	2			2019	2020	4.5	high	0	2	0
niguldipine hydrochloride	2			2019	2020	4.5	medium	0	2	0
2,5-bis(5-hydroxymethyl-2-thienyl)furan	2	thiophenes		2019	2020	4.5	low	0	2	0
ritonavir	2	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic	2019	2020	4.5	low	0	2	0
bardoxolone methyl	1	cyclohexenones		2019	2019	5.0	low	0	1	0
Destruxin B	2	cyclodepsipeptide		2019	2020	4.5	medium	0	2	0
tosylphenylalanyl chloromethyl ketone	2	alpha-chloroketone; sulfonamide	alkylating agent; serine proteinase inhibitor	2019	2020	4.5	low	0	2	0
trichostatin a	1	antibiotic antifungal agent; hydroxamic acid; trichostatin	bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector	2019	2019	5.0	low	0	1	0
pd 173955	1	aryl sulfide; dichlorobenzene; methyl sulfide; pyridopyrimidine	tyrosine kinase inhibitor	2011	2011	13.0	low	0	1	0
n-(4-methoxybenzyl)-n'-(5-nitro-1,3-thiazol-2-yl)urea	1			2011	2011	13.0	low	0	1	0
artenimol	1			2019	2019	5.0	low	0	1	0
sitafloxacin	1	fluoroquinolone antibiotic; quinolines; quinolone antibiotic		2019	2019	5.0	low	0	1	0
2'-c-methylcytidine	2			2019	2020	4.5	low	0	2	0
jp-1302	2			2019	2020	4.5	low	0	2	0
7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one	2	benzodiazepine		2019	2020	4.5	high	0	2	0
tenatoprazole	2	imidazopyridine		2019	2020	4.5	low	0	2	0
s 1033	4	(trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor	2011	2020	7.2	low	0	4	0
5-[(2-fluoroanilino)methyl]-8-quinolinol	2	hydroxyquinoline		2019	2020	4.5	medium	0	2	0
benidipine hydrochloride	1			2020	2020	4.0	low	0	1	0
benidipine	1			2019	2019	5.0	low	0	1	0
2-(1,3-benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one	2	quinazolines		2019	2020	4.5	high	0	2	0
chlorprothixene	2	chlorprothixene		2019	2020	4.5	medium	0	2	0
jrf 12	2			2019	2020	4.5	low	0	2	0
5-amino-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester	2	methoxybenzenes; substituted aniline		2019	2020	4.5	medium	0	2	0
4-(4-(4-chloro-phenyl)thiazol-2-ylamino)phenol	1	substituted aniline		2011	2011	13.0	low	0	1	0
3-hydroxypyridine, sodium salt	2			2019	2020	4.5	high	0	2	0
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide	2	naphthalenecarboxamide		2019	2020	4.5	medium	0	2	0
5-[(2-bromoanilino)methyl]-8-quinolinol	2	hydroxyquinoline		2019	2020	4.5	high	0	2	0
3-amino-n-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide	3			2011	2020	7.3	medium	0	3	0
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline	2	aromatic amine		2019	2020	4.5	high	0	2	0
cct018159	1	benzodioxine; pyrazoles; resorcinols	antineoplastic agent; apoptosis inducer; Hsp90 inhibitor	2011	2011	13.0	low	0	1	0
1-[4-(4-bromophenyl)-2-thiazolyl]-4-piperidinecarboxamide	2	piperidinecarboxamide		2019	2020	4.5	high	0	2	0
5-[[2-(trifluoromethyl)anilino]methyl]-8-quinolinol	2	hydroxyquinoline		2019	2020	4.5	high	0	2	0
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide	2	acetamides; anilide		2019	2020	4.5	medium	0	2	0
5-bromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide	2	aromatic amide; thiophenes		2019	2020	4.5	high	0	2	0
6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-4-pyrimidinone	2	dimethoxybenzene		2019	2020	4.5	high	0	2	0
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide	2	aromatic amide		2019	2020	4.5	medium	0	2	0
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide	2	aromatic ether		2019	2020	4.5	high	0	2	0
3-chloro-1-(2,5-dimethoxyphenyl)-4-(1-piperidinyl)pyrrole-2,5-dione	2	maleimides		2019	2020	4.5	high	0	2	0
Src Inhibitor-1	2	aromatic ether; polyether; quinazolines; secondary amino compound	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	2019	2020	4.5	medium	0	2	0
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one	2	dimethoxybenzene		2019	2020	4.5	high	0	2	0
2-phenyl-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-quinolinecarboxamide	2	quinolines		2019	2020	4.5	medium	0	2	0
xl147	1	aromatic amine; benzothiadiazole; quinoxaline derivative; sulfonamide	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	2017	2017	7.0	low	0	1	0
3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine	2	pyrroles		2019	2020	4.5	medium	0	2	0
bi-78d3	2	aryl sulfide		2019	2020	4.5	low	0	2	0
kartogenin	2			2019	2020	4.5	low	0	2	0
lch-7749944	1			2019	2019	5.0	medium	0	1	0
toremifene	1	aromatic ether; organochlorine compound; tertiary amine	antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator	2019	2019	5.0	low	0	1	0
bms 387032	5	1,3-oxazoles; 1,3-thiazoles; organic sulfide; piperidinecarboxamide; secondary carboxamide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	2008	2017	12.4	low	1	4	0
sf 2370	1	bridged compound; gamma-lactam; methyl ester; organic heterooctacyclic compound	antimicrobial agent; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; tropomyosin-related kinase B receptor antagonist	2017	2017	7.0	low	0	1	0
tandutinib	5	aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; piperidines; quinazolines; tertiary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	2008	2017	12.4	low	1	4	0
vx-745	7	aryl sulfide; dichlorobenzene; difluorobenzene; pyrimidopyridazine	anti-inflammatory drug; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	2008	2020	10.7	medium	1	6	0
dasatinib	9	1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor	2008	2020	9.6	low	1	8	0
ha 1100	1			2017	2017	7.0	low	0	1	0
7-epi-hydroxystaurosporine	1			2017	2017	7.0	medium	0	1	0
zd 6474	8	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor	2008	2020	9.5	low	1	7	0
N-methyl-2-[[3-[2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]benzamide	1	aryl sulfide		2011	2011	13.0	medium	0	1	0
N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide	3	indoles		2011	2020	7.3	high	0	3	0
nih-12848	2			2019	2020	4.5	high	0	2	0
2,4-dioxo-3-pentyl-N-[3-(1-piperidinyl)propyl]-1H-quinazoline-7-carboxamide	2	quinazolines		2019	2020	4.5	high	0	2	0
[1-(3-methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone	2	benzimidazoles		2019	2020	4.5	medium	0	2	0
2-[[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)thio]methyl]benzonitrile	2	imidazopyridine		2019	2020	4.5	high	0	2	0
3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one	2	aromatic ketone		2019	2020	4.5	high	0	2	0
4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester	2	oxopurine		2019	2020	4.5	high	0	2	0
N,N-dimethylcarbamodithioic acid (1-acetamido-2,2,2-trichloroethyl) ester	2	organonitrogen compound; organosulfur compound		2019	2020	4.5	high	0	2	0
6-bromo-2-(4-methylphenyl)-N-[(1-methyl-4-pyrazolyl)methyl]-4-quinolinecarboxamide	2	quinolines		2019	2020	4.5	high	0	2	0
LSM-1924	2	organic heterotricyclic compound; organooxygen compound		2019	2020	4.5	high	0	2	0
ferrostatin-1	2	ethyl ester; primary arylamine; substituted aniline	antifungal agent; antioxidant; ferroptosis inhibitor; neuroprotective agent; radiation protective agent; radical scavenger	2019	2020	4.5	low	0	2	0
6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine	2	C-nitro compound		2019	2020	4.5	high	0	2	0
ver-49009	1	aromatic amide; monochlorobenzenes; monomethoxybenzene; pyrazoles; resorcinols	Hsp90 inhibitor	2011	2011	13.0	medium	0	1	0
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide	3	benzamides; benzodioxoles; imidazoles; pyridines	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	2008	2011	14.0	low	1	2	0
rabeprazole(1-)	2	organic nitrogen anion		2019	2020	4.5	high	0	2	0
alsterpaullone	1	C-nitro compound; caprolactams; organic heterotetracyclic compound	anti-HIV-1 agent; antineoplastic agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor	2011	2011	13.0	low	0	1	0
imd 0354	2	benzamides		2011	2017	10.0	low	0	2	0
ncgc00099374	2			2019	2020	4.5	high	0	2	0
2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide	2	benzamides		2019	2020	4.5	high	0	2	0
acacetin	1	dihydroxyflavone; monomethoxyflavone	anticonvulsant; plant metabolite	2011	2011	13.0	low	0	1	0
luteolin	2	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist	2019	2020	4.5	low	0	2	0
cyclosporine	1			2019	2019	5.0	low	0	1	0
kaempferol	2	7-hydroxyflavonol; flavonols; tetrahydroxyflavone	antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite	2019	2020	4.5	low	0	2	0
genistein	2	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor	2019	2020	4.5	low	0	2	0
mycophenolate mofetil	2	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug	2019	2020	4.5	low	0	2	0
bruceantin	2	triterpenoid		2019	2020	4.5	low	0	2	0
chrysin	2	7-hydroxyflavonol; dihydroxyflavone	anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite	2019	2020	4.5	low	0	2	0
daidzein	2	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite	2019	2020	4.5	low	0	2	0
neticonazole	2	aromatic ether; benzenes; conazole antifungal drug; enamine; imidazole antifungal drug; imidazoles; methyl sulfide	antifungal drug; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor	2019	2020	4.5	low	0	2	0
N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine	2	endocannabinoid; N-acylethanolamine 22:6		2019	2020	4.5	low	0	2	0
n-oleoylethanolamine	2	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1	EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist	2019	2020	4.5	low	0	2	0
sirolimus	1	antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol	antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor	2017	2017	7.0	low	0	1	0
alpha-zearalenol	2	macrolide		2019	2020	4.5	high	0	2	0
alvocidib	4	dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound	antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	2008	2017	12.2	low	1	3	0
su 9516	2			2019	2020	4.5	low	0	2	0
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine	2	triazolopyrimidines		2019	2020	4.5	medium	0	2	0
sb 277011	2			2019	2020	4.5	low	0	2	0
pd 166285	1			2011	2011	13.0	low	0	1	0
sb 223412	2			2019	2020	4.5	low	0	2	0
sr 59230a	2	tetralins		2019	2020	4.5	high	0	2	0
3-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]benzamide	2	pyrimidines		2019	2020	4.5	low	0	2	0
kn 62	2	piperazines		2019	2020	4.5	low	0	2	0
MeJA	2	Jasmonate derivatives		2019	2020	4.5	high	0	2	0
1h-pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)-	2			2019	2020	4.5	high	0	2	0
pd 161570	2			2019	2020	4.5	medium	0	2	0
bosutinib	2	aminoquinoline; aromatic ether; dichlorobenzene; N-methylpiperazine; nitrile; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor	2011	2017	10.0	low	0	2	0
orantinib	2			2017	2017	7.0	low	0	2	0
su 11248	5	monocarboxylic acid amide; pyrroles	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist	2008	2017	11.8	low	1	4	0
m475271	1			2019	2019	5.0	medium	0	1	0
palbociclib	5	aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	2011	2020	8.0	low	0	5	0
jnj-7706621	7	sulfonamide		2008	2020	9.9	medium	1	6	0
virginiamycin factor s1	2	cyclodepsipeptide; macrolide antibiotic	antibacterial drug; bacterial metabolite	2019	2020	4.5	medium	0	2	0
2-tert-butyl-9-fluoro-3,6-dihydro-7h-benz(h)imidazo(4,5-f)isoquinoline-7-one	1	organic heterotetracyclic compound; organofluorine compound	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	2011	2011	13.0	low	0	1	0
vx680	11	N-arylpiperazine		2008	2022	9.5	low	2	8	1
fenoterol	2	hydrobromide	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent	2019	2020	4.5	low	0	2	0
xib 4035	2			2019	2020	4.5	medium	0	2	0
gw-5074	1			2019	2019	5.0	low	0	1	0
GSK3-XIII	1	aromatic amine; pyrazoles; quinazolines; secondary amino compound	EC 2.7.11.26 (tau-protein kinase) inhibitor	2009	2009	15.0	low	1	0	0
cyc 116	4			2009	2017	11.5	medium	1	3	0
everolimus	1	cyclic acetal; cyclic ketone; ether; macrolide lactam; primary alcohol; secondary alcohol	anticoronaviral agent; antineoplastic agent; geroprotector; immunosuppressive agent; mTOR inhibitor	2017	2017	7.0	low	0	1	0
ekb 569	3	aminoquinoline; monocarboxylic acid amide; monochlorobenzenes; nitrile	protein kinase inhibitor	2008	2017	12.0	low	1	2	0
axitinib	2	aryl sulfide; benzamides; indazoles; pyridines	antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist	2011	2017	10.0	low	0	2	0
belotecan	2	pyranoindolizinoquinoline		2019	2020	4.5	low	0	2	0
1-azakenpaullone	1	lactam; organic heterotetracyclic compound; organobromine compound; organonitrogen heterocyclic compound	EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator	2011	2011	13.0	medium	0	1	0
a 419259	1			2011	2011	13.0	low	0	1	0
gdp 366	1			2011	2011	13.0	medium	0	1	0
norgestimate	2	ketoxime; steroid ester; terminal acetylenic compound	contraceptive drug; progestin; synthetic oral contraceptive	2019	2020	4.5	medium	0	2	0
b 43	2	aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector	2019	2020	4.5	low	0	2	0
4-(2' methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-fluorobenzamido)ethyl)piperazine	2			2019	2020	4.5	medium	0	2	0
methiazole	2	benzimidazoles; carbamate ester		2019	2020	4.5	medium	0	2	0
sb 218795	2	quinolines		2019	2020	4.5	low	0	2	0
bvt.948	2			2019	2020	4.5	high	0	2	0
2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]ethanol	1	thiopurine		2011	2011	13.0	medium	0	1	0
fk 866	1	benzamides; N-acylpiperidine		2019	2019	5.0	low	0	1	0
a 38503	2			2019	2020	4.5	medium	0	2	0
artesunate	1	artemisinin derivative; cyclic acetal; dicarboxylic acid monoester; hemisuccinate; semisynthetic derivative; sesquiterpenoid	antimalarial; antineoplastic agent; ferroptosis inducer	2019	2019	5.0	low	0	1	0
temsirolimus	1	macrolide lactam		2017	2017	7.0	low	0	1	0
pd 184352	1	aminobenzoic acid		2011	2011	13.0	low	0	1	0
on 01910	1	N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine	antineoplastic agent; apoptosis inducer; EC 2.7.11.21 (polo kinase) inhibitor; microtubule-destabilising agent	2017	2017	7.0	low	0	1	0
parthenolide	1	sesquiterpene lactone	drug allergen; inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug	2019	2019	5.0	low	0	1	0
a 770041	1	aromatic amide		2011	2011	13.0	medium	0	1	0
krn 633	2			2019	2020	4.5	low	0	2	0
c 1368	1			2017	2017	7.0	medium	0	1	0
5-amino-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid	2	organonitrogen heterocyclic compound; organosulfur heterocyclic compound		2019	2020	4.5	high	0	2	0
gw 501516	2	1,3-thiazoles; aromatic ether; aryl sulfide; monocarboxylic acid; organofluorine compound	carcinogenic agent; PPARbeta/delta agonist	2019	2020	4.5	low	0	2	0
av 412	1			2017	2017	7.0	low	0	1	0
telatinib	1			2017	2017	7.0	low	0	1	0
y-39983	1	pyrrolopyridine		2017	2017	7.0	low	0	1	0
dolastatin 10	2	1,3-thiazoles; tetrapeptide	animal metabolite; antineoplastic agent; apoptosis inducer; marine metabolite; microtubule-destabilising agent	2019	2020	4.5	low	0	2	0
cp 547632	2			2011	2017	10.0	medium	0	2	0
bms345541	2	quinoxaline derivative		2011	2011	13.0	low	0	2	0
spc-839	3			2019	2020	4.7	low	0	3	0
lenvatinib	1	aromatic amide; aromatic ether; cyclopropanes; monocarboxylic acid amide; monochlorobenzenes; phenylureas; quinolines	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist; orphan drug; vascular endothelial growth factor receptor antagonist	2017	2017	7.0	low	0	1	0
adw 742	1			2011	2011	13.0	low	0	1	0
gw843682x	1	(trifluoromethyl)benzenes		2011	2011	13.0	low	0	1	0
pd 0325901	1	difluorobenzene; hydroxamic acid ester; monofluorobenzenes; organoiodine compound; propane-1,2-diols; secondary amino compound	antineoplastic agent; EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor	2017	2017	7.0	low	0	1	0
midostaurin	6	benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound	antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor	2008	2020	9.7	low	1	5	0
px-866	1	acetate ester; delta-lactone; organic heterotetracyclic compound; tertiary amino compound	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	2017	2017	7.0	low	0	1	0
valnemulin	2			2019	2020	4.5	medium	0	2	0
nu 7026	2	organic heterotricyclic compound; organooxygen compound		2019	2020	4.5	low	0	2	0
sb 242235	1			2011	2011	13.0	low	0	1	0
ripasudil	1	isoquinolines		2017	2017	7.0	medium	0	1	0
osi 930	3	aromatic amide		2017	2020	5.3	medium	0	3	0
ki 20227	1			2011	2011	13.0	low	0	1	0
scio-469	1	aromatic amide; aromatic ketone; chloroindole; dicarboxylic acid diamide; indolecarboxamide; monofluorobenzenes; N-acylpiperazine; N-alkylpiperazine	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	2017	2017	7.0	low	0	1	0
ticagrelor	2	aryl sulfide; hydroxyether; organofluorine compound; secondary amino compound; triazolopyrimidines	P2Y12 receptor antagonist; platelet aggregation inhibitor	2019	2020	4.5	low	0	2	0
l 692585	2	peptide		2019	2020	4.5	high	0	2	0
cp 724714	4	2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; hepatotoxic agent	2008	2019	10.2	medium	1	3	0
pi103	6	aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor	2008	2020	10.7	low	1	5	0
hmn-214	1			2017	2017	7.0	medium	0	1	0
nnc 26-9100	2	aminopyridine		2019	2020	4.5	low	0	2	0
2-(3-chlorobenzyloxy)-6-(piperazin-1-yl)pyrazine	2			2019	2020	4.5	medium	0	2	0
tgx 221	1	pyridopyrimidine		2011	2011	13.0	low	0	1	0
tivozanib	3	aromatic ether		2017	2020	5.3	low	0	3	0
zm 447439	4	aromatic ether; benzamides; morpholines; polyether; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor	2009	2019	10.0	medium	1	3	0
hki 272	3	nitrile; quinolines	antineoplastic agent; tyrosine kinase inhibitor	2011	2019	8.3	low	0	3	0
tofacitinib	4	N-acylpiperidine; nitrile; pyrrolopyrimidine; tertiary amino compound	antirheumatic drug; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	2008	2017	12.2	low	1	3	0
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide	3			2011	2020	7.3	medium	0	3	0
rucaparib	1	azepinoindole; caprolactams; organofluorine compound; secondary amino compound	antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor	2011	2011	13.0	low	0	1	0
cediranib	3	aromatic ether		2011	2017	11.0	low	0	3	0
tae226	3	morpholines		2011	2020	7.3	low	0	3	0
gw0742	2	monocarboxylic acid		2019	2020	4.5	low	0	2	0
tak-715	1	benzamides		2011	2011	13.0	low	0	1	0
u 18666a	2	hydrochloride	antiviral agent; EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor; Hedgehog signaling pathway inhibitor; nicotinic antagonist; sterol biosynthesis inhibitor	2019	2020	4.5	low	0	2	0
chir 99021	1	aminopyridine; aminopyrimidine; cyanopyridine; diamine; dichlorobenzene; imidazoles; secondary amino compound	EC 2.7.11.26 (tau-protein kinase) inhibitor	2011	2011	13.0	low	0	1	0
sb 525334	2	quinoxaline derivative		2019	2020	4.5	low	0	2	0
ly2090314	1	diazepinoindole; imidazopyridine; maleimides; monofluorobenzenes; piperidinecarboxamide; ureas	antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; Wnt signalling activator	2011	2011	13.0	medium	0	1	0
masitinib	2	1,3-thiazoles; benzamides; N-alkylpiperazine; pyridines	antineoplastic agent; antirheumatic drug; tyrosine kinase inhibitor	2011	2017	10.0	low	0	2	0
bx795	2	ureas		2019	2020	4.5	low	0	2	0
ly-2157299	1	aromatic amide; methylpyridines; monocarboxylic acid amide; pyrrolopyrazole; quinolines	antineoplastic agent; TGFbeta receptor antagonist	2017	2017	7.0	low	0	1	0
pazopanib	6	aminopyrimidine; indazoles; sulfonamide	angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist	2008	2017	12.2	low	1	5	0
azd 6244	4	benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	2011	2020	7.2	low	0	4	0
su 14813	4			2008	2017	12.2	high	1	3	0
1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea	2			2019	2020	4.5	medium	0	2	0
bibw 2992	3	aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor	2011	2019	8.3	low	0	3	0
bay 61-3606	3	pyrimidines		2011	2020	7.3	medium	0	3	0
binimetinib	1	benzimidazoles; bromobenzenes; hydroxamic acid ester; monofluorobenzenes; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	2017	2017	7.0	low	0	1	0
sotrastaurin	3	indoles; maleimides; N-alkylpiperazine; N-arylpiperazine; quinazolines	anticoronaviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunosuppressive agent	2011	2017	10.3	low	0	3	0
aee 788	1	6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist; trypanocidal drug	2017	2017	7.0	low	0	1	0
saracatinib	2	aromatic ether; benzodioxoles; diether; N-methylpiperazine; organochlorine compound; oxanes; quinazolines; secondary amino compound	anticoronaviral agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; radiosensitizing agent	2017	2019	6.0	low	0	2	0
sd-208	2			2019	2020	4.5	low	0	2	0
vx 702	2	phenylpyridine		2011	2017	10.0	low	0	2	0
crenolanib	3	aminopiperidine; aromatic ether; benzimidazoles; oxetanes; quinolines; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	2017	2020	5.3	low	0	3	0
tg100-115	2	pteridines		2011	2017	10.0	medium	0	2	0
cj 033466	2			2019	2020	4.5	high	0	2	0
cc 401	3	pyrazoles; ring assembly		2017	2020	5.3	medium	0	3	0
bms 599626	1			2017	2017	7.0	low	0	1	0
exel-7647	1			2017	2017	7.0	low	0	1	0
volasertib	1			2017	2017	7.0	low	0	1	0
pha 665752	1	dichlorobenzene; enamide; indolones; N-acylpyrrolidine; pyrrolecarboxamide; secondary carboxamide; sulfone; tertiary carboxamide	antineoplastic agent; c-Met tyrosine kinase inhibitor	2011	2011	13.0	low	0	1	0
PB28	2	aromatic ether; piperazines; tetralins	anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist	2019	2020	4.5	low	0	2	0
arterolane	2			2019	2020	4.5	low	0	2	0
azd 7762	1	aromatic amide; thiophenes		2017	2017	7.0	low	0	1	0
cariprazine	2			2019	2020	4.5	low	0	2	0
krp-203	2			2019	2020	4.5	medium	0	2	0
regorafenib	3	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide	antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor	2017	2020	5.3	low	0	3	0
at 7867	2	monochlorobenzenes; piperidines; pyrazoles	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	2019	2020	4.5	medium	0	2	0
acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl ester	2	pyrroloquinoline		2019	2020	4.5	medium	0	2	0
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one	3	methoxybenzenes; substituted aniline		2011	2017	11.0	medium	0	3	0
ptc 124	2	oxadiazole; ring assembly		2019	2020	4.5	low	0	2	0
degrasyn	2			2019	2020	4.5	low	0	2	0
brivanib	2	aromatic ether; diether; fluoroindole; pyrrolotriazine; secondary alcohol	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; drug metabolite; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist	2011	2017	10.0	low	0	2	0
pha 680632	2			2009	2017	11.0	medium	1	1	0
cvt-6883	1			2011	2011	13.0	low	0	1	0
mp470	1	N-arylpiperazine		2017	2017	7.0	low	0	1	0
rgb 286638	1			2017	2017	7.0	medium	0	1	0
np 031112	1	benzenes; naphthalenes; thiadiazolidine	anti-inflammatory agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent	2017	2017	7.0	low	0	1	0
at 7519	2	dichlorobenzene; piperidines; pyrazoles; secondary carboxamide	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor	2011	2017	10.0	low	0	2	0
bms-690514	1			2017	2017	7.0	low	0	1	0
bi 2536	5			2011	2022	6.2	low	0	4	1
inno-406	1	biaryl		2017	2017	7.0	low	0	1	0
r 1487	1			2011	2011	13.0	medium	0	1	0
nvp-ast487	5			2008	2013	13.2	high	1	4	0
kw 2449	2			2011	2017	10.0	low	0	2	0
danusertib	4	piperazines		2009	2017	10.0	low	1	3	0
abt 869	6	aromatic amine; indazoles; phenylureas	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	2008	2017	12.2	low	1	5	0
azd 8931	2	aromatic ether; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; tertiary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist	2017	2019	6.0	medium	0	2	0
arq 197	1	indoles		2017	2017	7.0	low	0	1	0
azd 1152	6	anilide; monoalkyl phosphate; monofluorobenzenes; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor; prodrug	2007	2020	10.2	high	2	4	0
pf 00299804	2	enamide; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist	2017	2019	6.0	low	0	2	0
ridaforolimus	1	macrolide lactam		2017	2017	7.0	low	0	1	0
ch 4987655	1			2017	2017	7.0	medium	0	1	0
6-(5-((cyclopropylamino)carbonyl)-3-fluoro-2-methylphenyl)-n-(2,2-dimethylprpyl)-3-pyridinecarboxamide	1	phenylpyridine		2017	2017	7.0	medium	0	1	0
carfilzomib	2	epoxide; morpholines; tetrapeptide	antineoplastic agent; proteasome inhibitor	2019	2020	4.5	low	0	2	0
cc-930	1			2017	2017	7.0	medium	0	1	0
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine	1	aminopyridine; aromatic ether; dichlorobenzene; organofluorine compound; pyrazolylpiperidine; racemate	antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	2011	2011	13.0	medium	0	1	0
gw 2580	4			2008	2011	13.8	low	1	3	0
tak 285	1			2017	2017	7.0	low	0	1	0
idelalisib	3	aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	2017	2020	5.3	low	0	3	0
crizotinib	3	3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine	antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	2011	2017	10.3	low	0	3	0
osi 906	2	cyclobutanes; quinolines		2011	2017	10.0	medium	0	2	0
chir-265	4	aromatic ether		2008	2017	12.2	medium	1	3	0
motesanib	6	pyridinecarboxamide		2008	2020	9.7	high	1	5	0
fostamatinib	1			2017	2017	7.0	low	0	1	0
jnj 28312141	1			2011	2011	13.0	low	0	1	0
trametinib	1	acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector	2017	2017	7.0	low	0	1	0
mln8054	9	benzazepine		2008	2020	11.0	medium	2	7	0
pf-562,271	5	indoles		2011	2020	8.0	medium	0	5	0
pha 767491	1	pyrrolopyridine		2011	2011	13.0	low	0	1	0
GDC-0879	1	indanes; ketoxime; primary alcohol; pyrazoles; pyridines	antineoplastic agent; B-Raf inhibitor	2011	2011	13.0	medium	0	1	0
gpi 15427	1			2011	2011	13.0	low	0	1	0
gliocladin c	2			2019	2020	4.5	medium	0	2	0
pha 680626	1			2009	2009	15.0	medium	1	0	0
sb 706504	2			2019	2020	4.5	high	0	2	0
jnj-26483327	2			2017	2019	6.0	high	0	2	0
ly2603618	1	ureas		2017	2017	7.0	low	0	1	0
ku-0060648	2	dibenzothiophenes		2019	2020	4.5	medium	0	2	0
tg100801	1			2017	2017	7.0	medium	0	1	0
dactolisib	3	imidazoquinoline; nitrile; quinolines; ring assembly; ureas	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor	2011	2017	10.3	low	0	3	0
bgt226	3	aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor	2017	2020	5.3	medium	0	3	0
n-desmethyldanofloxacin	2			2019	2020	4.5	high	0	2	0
a-484954	1			2011	2011	13.0	low	0	1	0
gsk 461364	2	(trifluoromethyl)benzenes		2011	2017	10.0	low	0	2	0
CDN1163	2	aromatic ether; quinolines; secondary carboxamide	SERCA activator	2019	2020	4.5	medium	0	2	0
nvp-tae684	3	piperidines		2011	2013	12.3	low	0	3	0
enmd 2076	3			2009	2017	9.7	low	1	2	0
gsk 269962a	3			2011	2020	7.3	medium	0	3	0
e 7050	1	aromatic ether		2017	2017	7.0	low	0	1	0
2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)-7-pyrido[2,3-d]pyrimidinone	1	pyrazolopyridine		2017	2017	7.0	medium	0	1	0
tak-901	2			2017	2017	7.0	medium	0	2	0
3-[(1-methyl-3-indolyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one	1	indoles		2011	2011	13.0	medium	0	1	0
gdc-0973	1	aromatic amine; difluorobenzene; N-acylazetidine; organoiodine compound; piperidines; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	2017	2017	7.0	low	0	1	0
buparlisib	1	aminopyridine; aminopyrimidine; morpholines; organofluorine compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	2017	2017	7.0	low	0	1	0
azd 1480	1			2017	2017	7.0	low	0	1	0
azd8330	1	pyridinecarboxamide		2017	2017	7.0	low	0	1	0
pha 848125	3			2017	2020	5.3	medium	0	3	0
ro5126766	1	aryloxypyrimidine; coumarins; organofluorine compound; pyridines; sulfamides	antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	2017	2017	7.0	low	0	1	0
tg101209	1	N-alkylpiperazine; N-arylpiperazine; pyrimidines; secondary amino compound; sulfonamide	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	2011	2011	13.0	low	0	1	0
fedratinib	2	sulfonamide		2011	2017	10.0	low	0	2	0
gsk690693	2	1,2,5-oxadiazole; acetylenic compound; aromatic amine; aromatic ether; imidazopyridine; piperidines; primary amino compound; tertiary alcohol	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor	2011	2017	10.0	low	0	2	0
14-methyl-20-oxa-5,7,14,26-tetraazatetracyclo(19.3.1.1(2,6).1(8,12))heptacosa-1(25),2(26),3,5,8(27),9,11,16,21,23-decaene	1			2017	2017	7.0	low	0	1	0
nvp-bhg712	2	benzamides		2019	2020	4.5	medium	0	2	0
azd5438	1	sulfonamide		2017	2017	7.0	low	0	1	0
pf 04217903	5	quinolines		2011	2020	8.0	high	0	5	0
3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-pyrazolyl]propanenitrile	1	pyrrolopyrimidine		2011	2011	13.0	medium	0	1	0
gdc 0941	3	indazoles; morpholines; piperazines; sulfonamide; thienopyrimidine	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	2011	2017	11.0	low	0	3	0
5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one	2	aromatic ketone		2019	2020	4.5	high	0	2	0
icotinib	2			2017	2019	6.0	low	0	2	0
ph 797804	4	aromatic ether; benzamides; organobromine compound; organofluorine compound; pyridone	anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor	2011	2020	7.2	medium	0	4	0
kx-01	1			2017	2017	7.0	low	0	1	0
srt1720	2			2019	2020	4.5	low	0	2	0
plx 4720	1	aromatic ketone; difluorobenzene; organochlorine compound; pyrrolopyridine; sulfonamide	antineoplastic agent; B-Raf inhibitor	2011	2011	13.0	low	0	1	0
mk 5108	3	aromatic ether		2017	2020	6.0	medium	0	3	0
cx 4945	1			2017	2017	7.0	low	0	1	0
cudc 101	1			2017	2017	7.0	low	0	1	0
purfalcamine	2			2019	2020	4.5	medium	0	2	0
arry-614	1			2017	2017	7.0	medium	0	1	0
tak 593	1			2017	2017	7.0	medium	0	1	0
mln 8237	6	benzazepine		2009	2022	9.2	low	1	4	1
sgx 523	2	aryl sulfide; biaryl; pyrazoles; quinolines; triazolopyridazine	c-Met tyrosine kinase inhibitor; nephrotoxic agent	2011	2017	10.0	medium	0	2	0
bms 754807	3	pyrazoles; pyridines; pyrrolidines; pyrrolotriazine	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	2017	2020	5.3	low	0	3	0
bms 777607	1	aromatic amide		2017	2017	7.0	low	0	1	0
sgi 1776	1	imidazoles		2017	2017	7.0	low	0	1	0
pci 32765	1	acrylamides; aromatic amine; aromatic ether; N-acylpiperidine; pyrazolopyrimidine; tertiary carboxamide	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	2017	2017	7.0	low	0	1	0
ponatinib	3	(trifluoromethyl)benzenes; acetylenic compound; benzamides; imidazopyridazine; N-methylpiperazine	antineoplastic agent; tyrosine kinase inhibitor	2017	2020	5.3	low	0	3	0
amg 900	3			2017	2022	5.3	low	0	2	1
mk-1775	2	piperazines		2011	2017	10.0	low	0	2	0
AMG-208	1	aromatic ether; quinolines; triazolopyridazine	antineoplastic agent; c-Met tyrosine kinase inhibitor	2017	2017	7.0	low	0	1	0
quizartinib	4	benzoimidazothiazole; isoxazoles; morpholines; phenylureas	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; necroptosis inhibitor	2011	2020	7.2	low	0	4	0
PP121	3	aromatic amine; cyclopentanes; pyrazolopyrimidine; pyrrolopyridine	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; tyrosine kinase inhibitor	2011	2020	7.3	medium	0	3	0
at13148	1			2017	2017	7.0	low	0	1	0
tak 733	2			2017	2020	5.5	low	0	2	0
mk 2206	1	organic heterotricyclic compound	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor	2017	2017	7.0	low	0	1	0
navitoclax	2	aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor	2019	2020	4.5	low	0	2	0
sns 314	2	ureas		2011	2017	10.0	medium	0	2	0
gsk 650394	2	phenylpyridine		2019	2020	4.5	low	0	2	0
lucitanib	1	aromatic ether; cyclopropanes; naphthalenecarboxamide; primary amino compound; quinolines	antineoplastic agent; fibroblast growth factor receptor antagonist; vascular endothelial growth factor receptor antagonist	2017	2017	7.0	low	0	1	0
pf-04691502	1			2017	2017	7.0	low	0	1	0
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide	1	aminopyrimidine; benzamides; morpholines; nitrile; secondary amino compound; tertiary amino compound	anti-anaemic agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	2017	2017	7.0	low	0	1	0
dcc-2036	3	organofluorine compound; phenylureas; pyrazoles; pyridinecarboxamide; quinolines	tyrosine kinase inhibitor	2017	2020	5.3	medium	0	3	0
cabozantinib	3	aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines	antineoplastic agent; tyrosine kinase inhibitor	2017	2020	5.3	low	0	3	0
defactinib	1			2017	2017	7.0	low	0	1	0
ly2584702	1			2017	2017	7.0	low	0	1	0
incb-018424	2	nitrile; pyrazoles; pyrrolopyrimidine	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	2011	2017	10.0	low	0	2	0
poziotinib	1	acrylamides; aromatic ether; dichlorobenzene; diether; monofluorobenzenes; N-acylpiperidine; quinazolines; secondary amino compound; substituted aniline	antineoplastic agent; apoptosis inducer; epidermal growth factor receptor antagonist	2017	2017	7.0	low	0	1	0
asp3026	1	aromatic amine; diamino-1,3,5-triazine; monomethoxybenzene; N-methylpiperazine; piperidines; secondary amino compound; sulfone	antimalarial; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; EC 6.1.1.6 (lysine--tRNA ligase) inhibitor	2017	2017	7.0	low	0	1	0
entrectinib	2	benzamides; difluorobenzene; indazoles; N-methylpiperazine; oxanes; secondary amino compound; secondary carboxamide	antibacterial agent; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	2011	2017	10.0	low	0	2	0
pexidartinib	1	aminopyridine; organochlorine compound; organofluorine compound; pyrrolopyridine; secondary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	2017	2017	7.0	low	0	1	0
cct 137690	1			2017	2017	7.0	low	0	1	0
TAK-580	3	1,3-thiazolecarboxamide; aminopyrimidine; chloropyridine; organofluorine compound; pyrimidinecarboxamide; secondary carboxamide	antineoplastic agent; apoptosis inducer; B-Raf inhibitor	2017	2020	5.3	medium	0	3	0
gsk 2126458	1	aromatic ether; difluorobenzene; pyridazines; pyridines; quinolines; sulfonamide	anticoronaviral agent; antineoplastic agent; autophagy inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor; radiosensitizing agent	2017	2017	7.0	low	0	1	0
emd1214063	1			2017	2017	7.0	low	0	1	0
8-(4-aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one	2	chromones		2019	2020	4.5	high	0	2	0
gsk 1838705a	1	organonitrogen compound; organooxygen compound		2011	2011	13.0	low	0	1	0
pf 3758309	3	organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound		2017	2020	5.3	low	0	3	0
gdc 0980	1			2017	2017	7.0	medium	0	1	0
azd2014	1			2017	2017	7.0	low	0	1	0
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol	3	benzyl alcohols; morpholines; pyridopyrimidine; tertiary amino compound	antineoplastic agent; apoptosis inducer; mTOR inhibitor	2017	2020	5.3	low	0	3	0
plx4032	1	aromatic ketone; difluorobenzene; monochlorobenzenes; pyrrolopyridine; sulfonamide	antineoplastic agent; B-Raf inhibitor	2017	2017	7.0	low	0	1	0
gsk 1363089	2	aromatic ether		2011	2017	10.0	low	0	2	0
arry-334543	2			2017	2019	6.0	medium	0	2	0
kin-193	1	pyridopyrimidine		2017	2017	7.0	low	0	1	0
mk 2461	2			2011	2017	10.0	medium	0	2	0
N-(2-chlorophenyl)-4-[[2-[4-[2-(4-ethyl-1-piperazinyl)-2-oxoethyl]anilino]-5-fluoro-4-pyrimidinyl]amino]benzamide	1	benzamides		2017	2017	7.0	low	0	1	0
5-(2-benzofuranyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine	2	aryl sulfide; thienopyrimidine		2019	2020	4.5	high	0	2	0
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine	2	aryl sulfide; thienopyrimidine		2019	2020	4.5	medium	0	2	0
5-bromo-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine	2	aryl sulfide; thienopyrimidine		2019	2020	4.5	high	0	2	0
bay 869766	1			2017	2017	7.0	low	0	1	0
as 703026	2	pyridinecarboxamide		2017	2020	5.5	medium	0	2	0
baricitinib	3	azetidines; nitrile; pyrazoles; pyrrolopyrimidine; sulfonamide	anti-inflammatory agent; antirheumatic drug; antiviral agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; immunosuppressive agent	2017	2020	5.3	low	0	3	0
6-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)-4-quinazolinamine	2	quinazolines		2019	2020	4.5	high	0	2	0
6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone	2	organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound		2019	2020	4.5	low	0	2	0
N-[(5-bromo-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide	2	hydroxyquinoline		2019	2020	4.5	high	0	2	0
p505-15	2			2019	2020	4.5	medium	0	2	0
dabrafenib	1	1,3-thiazoles; aminopyrimidine; organofluorine compound; sulfonamide	anticoronaviral agent; antineoplastic agent; B-Raf inhibitor	2017	2017	7.0	low	0	1	0
mrt67307	2	aromatic amine		2019	2020	4.5	medium	0	2	0
pki 587	1			2017	2017	7.0	low	0	1	0
n-(3-fluoro-4-((1-methyl-6-(1h-pyrazol-4-yl)-1h-indazol-5 yl)oxy)phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide	1			2017	2017	7.0	low	0	1	0
N-[3-[[5-chloro-2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]oxy]phenyl]-2-propenamide	2	piperazines		2019	2020	4.5	medium	0	2	0
ribociclib	3			2017	2020	5.3	low	0	3	0
1-[3-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone	2	aromatic ketone; thienopyrimidine		2019	2020	4.5	high	0	2	0
mk-8033	1			2017	2017	7.0	low	0	1	0
pha 793887	3	piperidinecarboxamide		2017	2020	5.3	high	0	3	0
abt-348	1			2011	2011	13.0	medium	0	1	0
gsk 2334470	1	indazoles		2019	2019	5.0	low	0	1	0
sb 1518	1			2017	2017	7.0	low	0	1	0
abemaciclib	1			2017	2017	7.0	low	0	1	0
mk-8776	1			2017	2017	7.0	medium	0	1	0
ml228 probe	2	1,2,4-triazines; biphenyls; pyridines; secondary amino compound	hypoxia-inducible factor pathway activator	2019	2020	4.5	high	0	2	0
afuresertib	1	amphetamines		2017	2017	7.0	low	0	1	0
pf-03882845	2			2019	2020	4.5	high	0	2	0
gsk 1070916	2	pyrazoles; ring assembly		2017	2017	7.0	low	0	2	0
jq1 compound	2	carboxylic ester; organochlorine compound; tert-butyl ester; thienotriazolodiazepine	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bromodomain-containing protein 4 inhibitor; cardioprotective agent; ferroptosis inducer	2019	2020	4.5	low	0	2	0
jnj38877605	1	quinolines		2017	2017	7.0	low	0	1	0
dinaciclib	1	pyrazolopyrimidine		2017	2017	7.0	low	0	1	0
pf-04620110	2			2019	2020	4.5	medium	0	2	0
gsk525762a	2	benzodiazepine		2019	2020	4.5	low	0	2	0
gilteritinib	1	aromatic amine; monomethoxybenzene; N-methylpiperazine; oxanes; piperidines; primary carboxamide; pyrazines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	2017	2017	7.0	low	0	1	0
alectinib	1	aromatic ketone; morpholines; nitrile; organic heterotetracyclic compound; piperidines	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	2017	2017	7.0	low	0	1	0
glpg0634	1			2017	2017	7.0	low	0	1	0
birinapant	1	dipeptide		2019	2019	5.0	low	0	1	0
torin 1	2	N-acylpiperazine; N-arylpiperazine; organofluorine compound; pyridoquinoline; quinolines	antineoplastic agent; mTOR inhibitor	2019	2020	4.5	medium	0	2	0
abt-199	2	aromatic ether; C-nitro compound; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; N-sulfonylcarboxamide; oxanes; pyrrolopyridine	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor	2019	2020	4.5	low	0	2	0
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea	2	ureas		2019	2020	4.5	medium	0	2	0
N-(4-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)anilino]-1-piperidinecarbothioamide	2	(trifluoromethyl)benzenes		2019	2020	4.5	high	0	2	0
ncgc00242364	2	quinazolines		2019	2020	4.5	high	0	2	0
encorafenib	1			2017	2017	7.0	low	0	1	0
bms-911543	1			2017	2017	7.0	low	0	1	0
gsk2141795	1			2017	2017	7.0	low	0	1	0
gsk1210151a	2	imidazoquinoline		2019	2020	4.5	low	0	2	0
azd8186	1			2017	2017	7.0	low	0	1	0
hs-173	2			2019	2020	4.5	high	0	2	0
sr1664	2	indolecarboxamide		2019	2020	4.5	medium	0	2	0
4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-n-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide	2			2019	2020	4.5	high	0	2	0
N-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide	1	benzamides; N-acylpiperidine		2020	2020	4.0	medium	0	1	0
N-[4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide	1	aminoquinoline		2020	2020	4.0	medium	0	1	0
cudc-907	2			2019	2020	4.5	low	0	2	0
methacycline	1			2019	2019	5.0	low	0	1	0
methacycline monohydrochloride	1			2020	2020	4.0	low	0	1	0
2-[[[4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinyl]-oxomethyl]amino]acetic acid	2	quinolines		2019	2020	4.5	medium	0	2	0
agi-5198	2			2019	2020	4.5	low	0	2	0
byl719	1	proline derivative		2017	2017	7.0	low	0	1	0
cep-32496	3			2017	2020	5.3	medium	0	3	0
epz004777	2	N-glycosyl compound		2019	2020	4.5	low	0	2	0
3-[[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid	2	organonitrogen heterocyclic compound		2019	2020	4.5	low	0	2	0
rociletinib	1			2017	2017	7.0	low	0	1	0
entecavir	2	benzamides; N-acylpiperidine		2019	2020	4.5	medium	0	2	0
ceritinib	1	aminopyrimidine; aromatic ether; organochlorine compound; piperidines; secondary amino compound; sulfone	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor	2017	2017	7.0	low	0	1	0
azd1208	1			2017	2017	7.0	low	0	1	0
cfi-400945	1			2022	2022	2.0	medium	0	0	1
gkt137831	2			2019	2020	4.5	low	0	2	0
vx-509	3			2017	2020	5.3	high	0	3	0
vx-970	2	sulfonamide		2019	2020	4.5	low	0	2	0
gs-9973	2			2019	2020	4.5	medium	0	2	0
amg 925	2			2019	2020	4.5	high	0	2	0
debio 1347	1			2017	2017	7.0	low	0	1	0
gne-618	2			2019	2020	4.5	high	0	2	0
g007-lk	2			2019	2020	4.5	low	0	2	0
volitinib	3			2017	2020	5.3	high	0	3	0
ML355	2	benzothiazoles; monomethoxybenzene; phenols; secondary amino compound; substituted aniline; sulfonamide	EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; platelet aggregation inhibitor	2019	2020	4.5	medium	0	2	0
acp-196	2	aromatic amine; benzamides; imidazopyrazine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; ynone	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor	2019	2020	4.5	low	0	2	0
gsk343	2	aminopyridine; indazoles; N-alkylpiperazine; N-arylpiperazine; pyridone; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor	2019	2020	4.5	low	0	2	0
agi-6780	2			2019	2020	4.5	medium	0	2	0
khs101	2			2019	2020	4.5	medium	0	2	0
osimertinib	1	acrylamides; aminopyrimidine; biaryl; indoles; monomethoxybenzene; secondary amino compound; secondary carboxamide; substituted aniline; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist	2017	2017	7.0	low	0	1	0
cb-839	2			2019	2020	4.5	low	0	2	0
gsk-j4	2	organonitrogen heterocyclic compound		2019	2020	4.5	low	0	2	0
pf-06424439	2			2019	2020	4.5	medium	0	2	0
etp-46464	2			2019	2020	4.5	medium	0	2	0
onc201	2			2019	2020	4.5	low	0	2	0
kai407	2			2019	2020	4.5	high	0	2	0
6,7-dimethoxy-2-(pyrrolidin-1-yl)-n-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine	2			2019	2020	4.5	high	0	2	0
enasidenib	2	1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor	2019	2020	4.5	low	0	2	0
oicr-9429	2			2019	2020	4.5	medium	0	2	0
lly-507	2			2019	2020	4.5	medium	0	2	0
at 9283	5			2009	2020	7.6	high	1	4	0
otssp167	2			2017	2020	5.5	medium	0	2	0
chir 258	6			2008	2017	12.2	high	1	5	0
r 1530	1			2011	2011	13.0	medium	0	1	0
osi 027	1			2017	2017	7.0	low	0	1	0
hypoxanthine	2	nucleobase analogue; oxopurine; purine nucleobase	fundamental metabolite	2019	2020	4.5	low	0	2	0
clozapine	2	benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound	adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic	2019	2020	4.5	low	0	2	0
ganciclovir	1	2-aminopurines; oxopurine	antiinfective agent; antiviral drug	2019	2019	5.0	low	0	1	0
1-hydroxyphenazine	2	phenazines		2019	2020	4.5	low	0	2	0
hesperadin	3			2009	2020	8.7	low	1	2	0
ro 24-7429	2	benzodiazepine		2019	2020	4.5	low	0	2	0
nintedanib	4			2011	2020	7.2	low	0	4	0
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide	2	catechols; hydrazide; hydrazone; naphthols	EC 3.6.5.5 (dynamin GTPase) inhibitor	2019	2020	4.5	high	0	2	0
ver 52296	2	aromatic amide; isoxazoles; monocarboxylic acid amide; morpholines; resorcinols	angiogenesis inhibitor; antineoplastic agent; Hsp90 inhibitor	2019	2020	4.5	low	0	2	0
2-hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1h-indole-5-carbonitrile	1	hydroxyindoles; morpholines; nitrile; pyridines; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; tau aggregation inhibitor	2011	2011	13.0	medium	0	1	0
rvx 208	2			2019	2020	4.5	low	0	2	0
bmn 673	2			2019	2020	4.5	low	0	2	0
bay 80-6946	1			2017	2017	7.0	low	0	1	0
pp242	1	aromatic amine; biaryl; hydroxyindoles; phenols; primary amino compound; pyrazolopyrimidine	antineoplastic agent; mTOR inhibitor	2011	2011	13.0	low	0	1	0

Substance	Studies	Classes	Roles	First Year	Last Year	Average Age	Relationship Strength	2010's
1-hydroxy-2-naphthoic acid	1	hydroxy monocarboxylic acid; naphthoic acid; naphthols	bacterial xenobiotic metabolite; fungal xenobiotic metabolite	2016	2016	8.0	low	1
pamoic acid	1	dicarboxylic acid		2016	2016	8.0	low	1
2-naphthol	1	naphthol	antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger	2016	2016	8.0	low	1
quinazolines	3	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines		2016	2020	5.7	low	3
docusate	1	diester; organosulfonic acid		2016	2016	8.0	low	1
cholic acid	1	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite	2016	2016	8.0	low	1
deoxycholic acid	1	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human blood serum metabolite	2016	2016	8.0	low	1

Condition	Studies	First Year	Last Year	Average Age	Relationship Strength	Trials	2000's	2010's	post-2020
Acute Myelogenous Leukemia	2	2014	2017	8.5	low	0	0	2	0
Benign Neoplasms	5	2009	2023	6.6	medium	1	1	3	1
Cancer of Lung	2	2017	2023	4.0	low	0	0	1	1
Carcinoma, Small Cell Lung	1	2023	2023	1.0	low	0	0	0	1
Congenital Zika Syndrome	1	2020	2020	4.0	low	0	0	1	0
Diffuse Large B-Cell Lymphoma	1	2019	2019	5.0	low	0	0	1	0
Disease Models, Animal	1	2020	2020	4.0	low	0	0	1	0
Experimental Mammary Neoplasms	1	2020	2020	4.0	low	0	0	1	0
Experimental Neoplasms	1	2020	2020	4.0	low	0	0	1	0
Fatigue	1	2023	2023	1.0	low	1	0	0	1
Lassitude	1	2023	2023	1.0	low	1	0	0	1
Leukemia, Myeloid, Acute	2	2014	2017	8.5	low	0	0	2	0
Lung Neoplasms	2	2017	2023	4.0	low	0	0	1	1
Lymphoma, Large B-Cell, Diffuse	1	2019	2019	5.0	low	0	0	1	0
Neoplasms	5	2009	2023	6.6	medium	1	1	3	1
Neutropenia	1	2023	2023	1.0	low	1	0	0	1
Small Cell Lung Carcinoma	1	2023	2023	1.0	low	0	0	0	1
Zika Virus Infection	1	2020	2020	4.0	low	0	0	1	0

Safety/Toxicity (1)

Article	Year
Safety, tolerability, and pharmacokinetics of Aurora kinase B inhibitor AZD2811: a phase 1 dose-finding study in patients with advanced solid tumours. British journal of cancer, , Volume: 128, Issue:10	2023

Pharmacokinetics (1)

Article	Year
Safety, tolerability, and pharmacokinetics of Aurora kinase B inhibitor AZD2811: a phase 1 dose-finding study in patients with advanced solid tumours. British journal of cancer, , Volume: 128, Issue:10	2023

Bioavailability (1)

Article	Year
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology, , Volume: 96, Issue:5	2019

Dosage (1)

Article	Year
Targeting BCL2 Overcomes Resistance and Augments Response to Aurora Kinase B Inhibition by AZD2811 in Small Cell Lung Cancer. Clinical cancer research : an official journal of the American Association for Cancer Research, , 08-15, Volume: 29, Issue:16	2023