fr 148083 profile

5Z-7-oxozeaenol : A macrolide that is the 7-oxo derivative of zeaenol (the 5Z stereoisomer). Isolated from Fungi, it exhibits cytotoxic, antibacterial and inhibitory activity against NF-kappaB. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

ID Source	ID
PubMed CID	9863776
CHEMBL ID	1077979
CHEBI ID	67559
CHEBI ID	95343
SCHEMBL ID	3841555
MeSH ID	M0507582

Synonym
bdbm50042034
5z-7-oxozeaenol
CHEMBL1077979 ,
chebi:67559 ,
NCGC00186421-04
NCGC00186421-03
NCGC00244249-02
fr148083
fr-148083
ll-z1640-2
(3s,5z,8s,9s,11e)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione
gtpl8077
(2e,5s,6s,8z,11s)-5,6,15-trihydroxy-17-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,8,15,17-pentaene-7,13-dione
SCHEMBL3841555
(3s,5z,8s,9s,11e)-3,4,9,10-tetrahydro-8,9,16-trihydroxy-14-methoxy-3-methyl-1h-2-benzoxacyclotetradecin-1,7(8h)-dione
DTXSID90432058
AKOS030213203
CHEBI:95343
5z-7-oxozeaenol, >=98% (hplc)
NCGC00186421-07
Q27074007
HY-12686
CS-0012266
(4s,6z,9s,10s,12e)-9,10,18-trihydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
ll-z 1640-2
l783279

Excerpt	Reference	Relevance
"The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs."	( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019)	0.51

Role	Description
metabolite	Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antibacterial agent	A substance (or active part thereof) that kills or slows the growth of bacteria.
antineoplastic agent	A substance that inhibits or prevents the proliferation of neoplasms.
NF-kappaB inhibitor	An inhibitor of NF-kappaB (nuclear factor kappa-light-chain-enhancer of activated B cells), a protein complex involved in the transcription of DNA.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Class	Description
aromatic ether	Any ether in which the oxygen is attached to at least one aryl substituent.
macrolide	A macrocyclic lactone with a ring of twelve or more members derived from a polyketide.
phenols	Organic aromatic compounds having one or more hydroxy groups attached to a benzene or other arene ring.
secondary alcohol	A secondary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has two other carbon atoms attached to it.
secondary alpha-hydroxy ketone	An alpha-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a carbon bearing one hydrogen and one organyl group. Secondary alpha-hydroxy ketones are also known as acyloins, and are formally derived from reductive coupling of two carboxylic acid groups.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
tyrosine-protein kinase Yes	Homo sapiens (human)	Potency	2.4424	0.0000	5.0182	79.2586	AID686947
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)	IC50 (µMol)	0.8000	0.0010	0.3419	1.3000	AID1176812; AID719899
Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)	IC50 (µMol)	0.0170	0.0056	0.2470	2.6000	AID1176815; AID1254042; AID1254043; AID1311909; AID1336652; AID1490296; AID1613078; AID589426
Mitogen-activated protein kinase 1	Homo sapiens (human)	IC50 (µMol)	2.5393	0.0003	1.6878	9.2000	AID1176814; AID1336654; AID719897
Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)	IC50 (µMol)	3.0000	0.0010	0.7473	1.6000	AID719900
Nuclear receptor subfamily 2 group C member 2	Homo sapiens (human)	IC50 (µMol)	0.0090	0.0090	0.0195	0.0300	AID1772487
Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)	IC50 (µMol)	0.0296	0.0002	0.6813	9.7000	AID1176813; AID1336653; AID719898
Transcription factor p65	Homo sapiens (human)	IC50 (µMol)	0.2500	0.0001	1.8981	8.8000	AID606031
TGF-beta-activated kinase 1 and MAP3K7-binding protein 1	Homo sapiens (human)	IC50 (µMol)	0.0087	0.0080	0.1471	0.9000	AID1613078; AID1772487; AID589426
Phospholipase A-2-activating protein	Homo sapiens (human)	IC50 (µMol)	0.0110	0.0110	1.5370	2.5000	AID1469808
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
BMP-2-inducible protein kinase	Homo sapiens (human)	Kd	0.0038	0.0022	2.4097	56.0320	AID1876268
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Nuclear receptor subfamily 2 group C member 2	Homo sapiens (human)	INH	0.0060	0.0060	0.0060	0.0060	AID652590
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
apoptotic process	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
response to osmotic stress	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
signal transduction	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
JNK cascade	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
response to heat	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
response to UV	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
response to wounding	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
positive regulation of telomere maintenance via telomerase	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
response to tumor necrosis factor	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
Fc-epsilon receptor signaling pathway	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
positive regulation of JUN kinase activity	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
positive regulation of DNA-templated transcription	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
positive regulation of JNK cascade	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
stress-activated MAPK cascade	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
positive regulation of telomerase activity	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
positive regulation of ERK1 and ERK2 cascade	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
cellular response to lipopolysaccharide	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
cellular response to interleukin-1	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
cellular senescence	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
positive regulation of telomere capping	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
regulation of motor neuron apoptotic process	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
MAPK cascade	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
stimulatory C-type lectin receptor signaling pathway	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
positive regulation of T cell cytokine production	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
cytoplasmic pattern recognition receptor signaling pathway	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
MyD88-dependent toll-like receptor signaling pathway	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
chromatin remodeling	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
inflammatory response	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
transforming growth factor beta receptor signaling pathway	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
canonical NF-kappaB signal transduction	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
I-kappaB phosphorylation	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
JNK cascade	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
negative regulation of gene expression	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
positive regulation of macroautophagy	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
positive regulation of interleukin-2 production	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
toll-like receptor 3 signaling pathway	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
toll-like receptor 4 signaling pathway	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
TRIF-dependent toll-like receptor signaling pathway	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
nucleotide-binding domain, leucine rich repeat containing receptor signaling pathway	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
p38MAPK cascade	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
Fc-epsilon receptor signaling pathway	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
interleukin-33-mediated signaling pathway	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
interleukin-17A-mediated signaling pathway	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
defense response to bacterium	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
positive regulation of canonical NF-kappaB signal transduction	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
anoikis	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
positive regulation of JUN kinase activity	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
positive regulation of cell cycle	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
positive regulation of cell size	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
T cell receptor signaling pathway	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
stress-activated MAPK cascade	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
interleukin-1-mediated signaling pathway	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
cellular response to tumor necrosis factor	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
cellular response to hypoxia	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
positive regulation of non-canonical NF-kappaB signal transduction	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
cellular response to angiotensin	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
positive regulation of vascular associated smooth muscle cell proliferation	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
positive regulation of vascular associated smooth muscle cell migration	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
immune response	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
positive regulation of macrophage chemotaxis	Mitogen-activated protein kinase 1	Homo sapiens (human)
positive regulation of macrophage proliferation	Mitogen-activated protein kinase 1	Homo sapiens (human)
regulation of transcription by RNA polymerase II	Mitogen-activated protein kinase 1	Homo sapiens (human)
protein phosphorylation	Mitogen-activated protein kinase 1	Homo sapiens (human)
apoptotic process	Mitogen-activated protein kinase 1	Homo sapiens (human)
chemotaxis	Mitogen-activated protein kinase 1	Homo sapiens (human)
DNA damage response	Mitogen-activated protein kinase 1	Homo sapiens (human)
signal transduction	Mitogen-activated protein kinase 1	Homo sapiens (human)
chemical synaptic transmission	Mitogen-activated protein kinase 1	Homo sapiens (human)
learning or memory	Mitogen-activated protein kinase 1	Homo sapiens (human)
insulin receptor signaling pathway	Mitogen-activated protein kinase 1	Homo sapiens (human)
positive regulation of peptidyl-threonine phosphorylation	Mitogen-activated protein kinase 1	Homo sapiens (human)
Schwann cell development	Mitogen-activated protein kinase 1	Homo sapiens (human)
peptidyl-serine phosphorylation	Mitogen-activated protein kinase 1	Homo sapiens (human)
peptidyl-threonine phosphorylation	Mitogen-activated protein kinase 1	Homo sapiens (human)
cytosine metabolic process	Mitogen-activated protein kinase 1	Homo sapiens (human)
regulation of ossification	Mitogen-activated protein kinase 1	Homo sapiens (human)
androgen receptor signaling pathway	Mitogen-activated protein kinase 1	Homo sapiens (human)
regulation of cellular pH	Mitogen-activated protein kinase 1	Homo sapiens (human)
thyroid gland development	Mitogen-activated protein kinase 1	Homo sapiens (human)
regulation of protein stability	Mitogen-activated protein kinase 1	Homo sapiens (human)
lipopolysaccharide-mediated signaling pathway	Mitogen-activated protein kinase 1	Homo sapiens (human)
positive regulation of telomere maintenance via telomerase	Mitogen-activated protein kinase 1	Homo sapiens (human)
regulation of stress-activated MAPK cascade	Mitogen-activated protein kinase 1	Homo sapiens (human)
mammary gland epithelial cell proliferation	Mitogen-activated protein kinase 1	Homo sapiens (human)
cellular response to amino acid starvation	Mitogen-activated protein kinase 1	Homo sapiens (human)
cellular response to reactive oxygen species	Mitogen-activated protein kinase 1	Homo sapiens (human)
response to nicotine	Mitogen-activated protein kinase 1	Homo sapiens (human)
ERBB signaling pathway	Mitogen-activated protein kinase 1	Homo sapiens (human)
ERBB2-ERBB3 signaling pathway	Mitogen-activated protein kinase 1	Homo sapiens (human)
outer ear morphogenesis	Mitogen-activated protein kinase 1	Homo sapiens (human)
myelination	Mitogen-activated protein kinase 1	Homo sapiens (human)
response to exogenous dsRNA	Mitogen-activated protein kinase 1	Homo sapiens (human)
steroid hormone mediated signaling pathway	Mitogen-activated protein kinase 1	Homo sapiens (human)
negative regulation of cell differentiation	Mitogen-activated protein kinase 1	Homo sapiens (human)
insulin-like growth factor receptor signaling pathway	Mitogen-activated protein kinase 1	Homo sapiens (human)
thymus development	Mitogen-activated protein kinase 1	Homo sapiens (human)
progesterone receptor signaling pathway	Mitogen-activated protein kinase 1	Homo sapiens (human)
T cell receptor signaling pathway	Mitogen-activated protein kinase 1	Homo sapiens (human)
B cell receptor signaling pathway	Mitogen-activated protein kinase 1	Homo sapiens (human)
stress-activated MAPK cascade	Mitogen-activated protein kinase 1	Homo sapiens (human)
regulation of cytoskeleton organization	Mitogen-activated protein kinase 1	Homo sapiens (human)
positive regulation of telomerase activity	Mitogen-activated protein kinase 1	Homo sapiens (human)
Bergmann glial cell differentiation	Mitogen-activated protein kinase 1	Homo sapiens (human)
long-term synaptic potentiation	Mitogen-activated protein kinase 1	Homo sapiens (human)
face development	Mitogen-activated protein kinase 1	Homo sapiens (human)
lung morphogenesis	Mitogen-activated protein kinase 1	Homo sapiens (human)
trachea formation	Mitogen-activated protein kinase 1	Homo sapiens (human)
labyrinthine layer blood vessel development	Mitogen-activated protein kinase 1	Homo sapiens (human)
cardiac neural crest cell development involved in heart development	Mitogen-activated protein kinase 1	Homo sapiens (human)
ERK1 and ERK2 cascade	Mitogen-activated protein kinase 1	Homo sapiens (human)
response to epidermal growth factor	Mitogen-activated protein kinase 1	Homo sapiens (human)
cellular response to cadmium ion	Mitogen-activated protein kinase 1	Homo sapiens (human)
cellular response to tumor necrosis factor	Mitogen-activated protein kinase 1	Homo sapiens (human)
caveolin-mediated endocytosis	Mitogen-activated protein kinase 1	Homo sapiens (human)
regulation of Golgi inheritance	Mitogen-activated protein kinase 1	Homo sapiens (human)
positive regulation of telomere capping	Mitogen-activated protein kinase 1	Homo sapiens (human)
regulation of early endosome to late endosome transport	Mitogen-activated protein kinase 1	Homo sapiens (human)
cell surface receptor signaling pathway	Mitogen-activated protein kinase 1	Homo sapiens (human)
intracellular signal transduction	Mitogen-activated protein kinase 1	Homo sapiens (human)
positive regulation of protein phosphorylation	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
signal transduction	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
JNK cascade	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
response to wounding	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
smooth muscle cell apoptotic process	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to hydrogen peroxide	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
Fc-epsilon receptor signaling pathway	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
positive regulation of neuron apoptotic process	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
positive regulation of DNA replication	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
positive regulation of JNK cascade	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
positive regulation of nitric-oxide synthase biosynthetic process	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
cell growth involved in cardiac muscle cell development	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
cellular response to mechanical stimulus	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
cellular response to sorbitol	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
cellular senescence	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
negative regulation of motor neuron apoptotic process	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
MAPK cascade	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
negative regulation of transcription by RNA polymerase II	Nuclear receptor subfamily 2 group C member 2	Homo sapiens (human)
regulation of DNA-templated transcription	Nuclear receptor subfamily 2 group C member 2	Homo sapiens (human)
spermatogenesis	Nuclear receptor subfamily 2 group C member 2	Homo sapiens (human)
nervous system development	Nuclear receptor subfamily 2 group C member 2	Homo sapiens (human)
intracellular receptor signaling pathway	Nuclear receptor subfamily 2 group C member 2	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Nuclear receptor subfamily 2 group C member 2	Homo sapiens (human)
anatomical structure development	Nuclear receptor subfamily 2 group C member 2	Homo sapiens (human)
cell differentiation	Nuclear receptor subfamily 2 group C member 2	Homo sapiens (human)
positive regulation of embryonic development	Nuclear receptor subfamily 2 group C member 2	Homo sapiens (human)
chemotaxis	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
signal transduction	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
heart development	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
negative regulation of cell population proliferation	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
positive regulation of gene expression	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
Schwann cell development	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
cerebellar cortex formation	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
keratinocyte differentiation	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
thyroid gland development	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
regulation of stress-activated MAPK cascade	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
endodermal cell differentiation	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
ERBB2-ERBB3 signaling pathway	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
myelination	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
type B pancreatic cell proliferation	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
positive regulation of DNA-templated transcription	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
insulin-like growth factor receptor signaling pathway	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
thymus development	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
regulation of axon regeneration	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
cell motility	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
positive regulation of axonogenesis	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
Bergmann glial cell differentiation	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
face development	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
trachea formation	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
epithelial cell proliferation involved in lung morphogenesis	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
placenta blood vessel development	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
labyrinthine layer development	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
ERK1 and ERK2 cascade	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
positive regulation of ERK1 and ERK2 cascade	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
positive regulation of protein serine/threonine kinase activity	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
regulation of Golgi inheritance	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
cellular senescence	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
positive regulation of endodermal cell differentiation	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
regulation of early endosome to late endosome transport	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
neuron differentiation	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
MAPK cascade	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
positive regulation of interleukin-1 beta production	Transcription factor p65	Homo sapiens (human)
positive regulation of interleukin-6 production	Transcription factor p65	Homo sapiens (human)
positive regulation of interleukin-8 production	Transcription factor p65	Homo sapiens (human)
positive regulation of amyloid-beta formation	Transcription factor p65	Homo sapiens (human)
positive regulation of NF-kappaB transcription factor activity	Transcription factor p65	Homo sapiens (human)
nucleotide-binding oligomerization domain containing 2 signaling pathway	Transcription factor p65	Homo sapiens (human)
negative regulation of transcription by RNA polymerase II	Transcription factor p65	Homo sapiens (human)
liver development	Transcription factor p65	Homo sapiens (human)
hair follicle development	Transcription factor p65	Homo sapiens (human)
defense response to tumor cell	Transcription factor p65	Homo sapiens (human)
response to ischemia	Transcription factor p65	Homo sapiens (human)
acetaldehyde metabolic process	Transcription factor p65	Homo sapiens (human)
chromatin organization	Transcription factor p65	Homo sapiens (human)
DNA-templated transcription	Transcription factor p65	Homo sapiens (human)
regulation of DNA-templated transcription	Transcription factor p65	Homo sapiens (human)
regulation of transcription by RNA polymerase II	Transcription factor p65	Homo sapiens (human)
inflammatory response	Transcription factor p65	Homo sapiens (human)
cellular defense response	Transcription factor p65	Homo sapiens (human)
neuropeptide signaling pathway	Transcription factor p65	Homo sapiens (human)
canonical NF-kappaB signal transduction	Transcription factor p65	Homo sapiens (human)
positive regulation of cell population proliferation	Transcription factor p65	Homo sapiens (human)
response to xenobiotic stimulus	Transcription factor p65	Homo sapiens (human)
animal organ morphogenesis	Transcription factor p65	Homo sapiens (human)
response to UV-B	Transcription factor p65	Homo sapiens (human)
positive regulation of vascular endothelial growth factor production	Transcription factor p65	Homo sapiens (human)
positive regulation of gene expression	Transcription factor p65	Homo sapiens (human)
positive regulation of Schwann cell differentiation	Transcription factor p65	Homo sapiens (human)
negative regulation of angiogenesis	Transcription factor p65	Homo sapiens (human)
cytokine-mediated signaling pathway	Transcription factor p65	Homo sapiens (human)
protein catabolic process	Transcription factor p65	Homo sapiens (human)
response to muramyl dipeptide	Transcription factor p65	Homo sapiens (human)
response to progesterone	Transcription factor p65	Homo sapiens (human)
positive regulation of interleukin-12 production	Transcription factor p65	Homo sapiens (human)
positive regulation of interleukin-6 production	Transcription factor p65	Homo sapiens (human)
positive regulation of interleukin-8 production	Transcription factor p65	Homo sapiens (human)
response to insulin	Transcription factor p65	Homo sapiens (human)
tumor necrosis factor-mediated signaling pathway	Transcription factor p65	Homo sapiens (human)
negative regulation of protein sumoylation	Transcription factor p65	Homo sapiens (human)
response to cobalamin	Transcription factor p65	Homo sapiens (human)
toll-like receptor 4 signaling pathway	Transcription factor p65	Homo sapiens (human)
intracellular signal transduction	Transcription factor p65	Homo sapiens (human)
cellular response to hepatocyte growth factor stimulus	Transcription factor p65	Homo sapiens (human)
response to muscle stretch	Transcription factor p65	Homo sapiens (human)
non-canonical NF-kappaB signal transduction	Transcription factor p65	Homo sapiens (human)
vascular endothelial growth factor signaling pathway	Transcription factor p65	Homo sapiens (human)
prolactin signaling pathway	Transcription factor p65	Homo sapiens (human)
negative regulation of protein catabolic process	Transcription factor p65	Homo sapiens (human)
negative regulation of apoptotic process	Transcription factor p65	Homo sapiens (human)
positive regulation of canonical NF-kappaB signal transduction	Transcription factor p65	Homo sapiens (human)
response to amino acid	Transcription factor p65	Homo sapiens (human)
negative regulation of DNA-templated transcription	Transcription factor p65	Homo sapiens (human)
positive regulation of DNA-templated transcription	Transcription factor p65	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Transcription factor p65	Homo sapiens (human)
negative regulation of insulin receptor signaling pathway	Transcription factor p65	Homo sapiens (human)
regulation of inflammatory response	Transcription factor p65	Homo sapiens (human)
positive regulation of T cell receptor signaling pathway	Transcription factor p65	Homo sapiens (human)
positive regulation of NF-kappaB transcription factor activity	Transcription factor p65	Homo sapiens (human)
response to cAMP	Transcription factor p65	Homo sapiens (human)
defense response to virus	Transcription factor p65	Homo sapiens (human)
cellular response to hydrogen peroxide	Transcription factor p65	Homo sapiens (human)
interleukin-1-mediated signaling pathway	Transcription factor p65	Homo sapiens (human)
response to interleukin-1	Transcription factor p65	Homo sapiens (human)
cellular response to lipopolysaccharide	Transcription factor p65	Homo sapiens (human)
cellular response to lipoteichoic acid	Transcription factor p65	Homo sapiens (human)
cellular response to peptidoglycan	Transcription factor p65	Homo sapiens (human)
cellular response to nicotine	Transcription factor p65	Homo sapiens (human)
cellular response to interleukin-1	Transcription factor p65	Homo sapiens (human)
cellular response to interleukin-6	Transcription factor p65	Homo sapiens (human)
cellular response to tumor necrosis factor	Transcription factor p65	Homo sapiens (human)
postsynapse to nucleus signaling pathway	Transcription factor p65	Homo sapiens (human)
antiviral innate immune response	Transcription factor p65	Homo sapiens (human)
negative regulation of non-canonical NF-kappaB signal transduction	Transcription factor p65	Homo sapiens (human)
positive regulation of non-canonical NF-kappaB signal transduction	Transcription factor p65	Homo sapiens (human)
negative regulation of miRNA transcription	Transcription factor p65	Homo sapiens (human)
positive regulation of miRNA transcription	Transcription factor p65	Homo sapiens (human)
cellular response to angiotensin	Transcription factor p65	Homo sapiens (human)
positive regulation of leukocyte adhesion to vascular endothelial cell	Transcription factor p65	Homo sapiens (human)
positive regulation of miRNA metabolic process	Transcription factor p65	Homo sapiens (human)
negative regulation of extrinsic apoptotic signaling pathway	Transcription factor p65	Homo sapiens (human)
cellular response to stress	Transcription factor p65	Homo sapiens (human)
response to cytokine	Transcription factor p65	Homo sapiens (human)
innate immune response	Transcription factor p65	Homo sapiens (human)
in utero embryonic development	TGF-beta-activated kinase 1 and MAP3K7-binding protein 1	Homo sapiens (human)
heart morphogenesis	TGF-beta-activated kinase 1 and MAP3K7-binding protein 1	Homo sapiens (human)
cardiac septum development	TGF-beta-activated kinase 1 and MAP3K7-binding protein 1	Homo sapiens (human)
transforming growth factor beta receptor signaling pathway	TGF-beta-activated kinase 1 and MAP3K7-binding protein 1	Homo sapiens (human)
lung development	TGF-beta-activated kinase 1 and MAP3K7-binding protein 1	Homo sapiens (human)
aorta development	TGF-beta-activated kinase 1 and MAP3K7-binding protein 1	Homo sapiens (human)
non-canonical NF-kappaB signal transduction	TGF-beta-activated kinase 1 and MAP3K7-binding protein 1	Homo sapiens (human)
positive regulation of MAPK cascade	TGF-beta-activated kinase 1 and MAP3K7-binding protein 1	Homo sapiens (human)
coronary vasculature development	TGF-beta-activated kinase 1 and MAP3K7-binding protein 1	Homo sapiens (human)
positive regulation of protein serine/threonine kinase activity	TGF-beta-activated kinase 1 and MAP3K7-binding protein 1	Homo sapiens (human)
positive regulation of cGAS/STING signaling pathway	TGF-beta-activated kinase 1 and MAP3K7-binding protein 1	Homo sapiens (human)
protein dephosphorylation	TGF-beta-activated kinase 1 and MAP3K7-binding protein 1	Homo sapiens (human)
positive regulation of Notch signaling pathway	BMP-2-inducible protein kinase	Homo sapiens (human)
regulation of clathrin-dependent endocytosis	BMP-2-inducible protein kinase	Homo sapiens (human)
regulation of bone mineralization	BMP-2-inducible protein kinase	Homo sapiens (human)
phospholipid metabolic process	Phospholipase A-2-activating protein	Homo sapiens (human)
prostaglandin metabolic process	Phospholipase A-2-activating protein	Homo sapiens (human)
inflammatory response	Phospholipase A-2-activating protein	Homo sapiens (human)
signal transduction	Phospholipase A-2-activating protein	Homo sapiens (human)
nervous system development	Phospholipase A-2-activating protein	Homo sapiens (human)
macroautophagy	Phospholipase A-2-activating protein	Homo sapiens (human)
positive regulation of phospholipase A2 activity	Phospholipase A-2-activating protein	Homo sapiens (human)
ubiquitin-dependent protein catabolic process via the multivesicular body sorting pathway	Phospholipase A-2-activating protein	Homo sapiens (human)
cellular response to lipopolysaccharide	Phospholipase A-2-activating protein	Homo sapiens (human)
negative regulation of protein K63-linked ubiquitination	Phospholipase A-2-activating protein	Homo sapiens (human)
positive regulation of synaptic vesicle recycling	Phospholipase A-2-activating protein	Homo sapiens (human)
positive regulation of dendrite extension	Phospholipase A-2-activating protein	Homo sapiens (human)
positive regulation of neuron migration	Phospholipase A-2-activating protein	Homo sapiens (human)
proteasome-mediated ubiquitin-dependent protein catabolic process	Phospholipase A-2-activating protein	Homo sapiens (human)
ubiquitin recycling	Phospholipase A-2-activating protein	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
magnesium ion binding	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
MAP kinase activity	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
MAP kinase kinase activity	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
protein tyrosine kinase activity	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
protein binding	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
ATP binding	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
JUN kinase kinase activity	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
enzyme binding	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
protein kinase binding	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
protein phosphatase binding	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
protein serine kinase activity	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
molecular function activator activity	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
magnesium ion binding	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
transcription coactivator binding	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
protein serine/threonine kinase activity	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
MAP kinase activity	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
MAP kinase kinase kinase activity	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
type II transforming growth factor beta receptor binding	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
protein binding	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
ATP binding	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
MAP kinase kinase kinase kinase activity	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
receptor tyrosine kinase binding	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
ubiquitin protein ligase binding	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
histone kinase activity	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
identical protein binding	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
scaffold protein binding	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
protein serine kinase activity	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
protein serine/threonine kinase binding	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
DNA-binding transcription factor binding	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
linear polyubiquitin binding	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
phosphotyrosine residue binding	Mitogen-activated protein kinase 1	Homo sapiens (human)
DNA binding	Mitogen-activated protein kinase 1	Homo sapiens (human)
protein serine/threonine kinase activity	Mitogen-activated protein kinase 1	Homo sapiens (human)
MAP kinase activity	Mitogen-activated protein kinase 1	Homo sapiens (human)
protein binding	Mitogen-activated protein kinase 1	Homo sapiens (human)
ATP binding	Mitogen-activated protein kinase 1	Homo sapiens (human)
RNA polymerase II CTD heptapeptide repeat kinase activity	Mitogen-activated protein kinase 1	Homo sapiens (human)
phosphatase binding	Mitogen-activated protein kinase 1	Homo sapiens (human)
identical protein binding	Mitogen-activated protein kinase 1	Homo sapiens (human)
protein serine kinase activity	Mitogen-activated protein kinase 1	Homo sapiens (human)
protein kinase activity	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
protein serine/threonine kinase activity	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
protein tyrosine kinase activity	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
protein binding	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
ATP binding	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
JUN kinase kinase activity	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
molecular adaptor activity	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
protein serine kinase activity	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
RNA polymerase II transcription regulatory region sequence-specific DNA binding	Nuclear receptor subfamily 2 group C member 2	Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA binding	Nuclear receptor subfamily 2 group C member 2	Homo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specific	Nuclear receptor subfamily 2 group C member 2	Homo sapiens (human)
DNA-binding transcription activator activity, RNA polymerase II-specific	Nuclear receptor subfamily 2 group C member 2	Homo sapiens (human)
DNA-binding transcription factor activity	Nuclear receptor subfamily 2 group C member 2	Homo sapiens (human)
protein binding	Nuclear receptor subfamily 2 group C member 2	Homo sapiens (human)
zinc ion binding	Nuclear receptor subfamily 2 group C member 2	Homo sapiens (human)
sequence-specific DNA binding	Nuclear receptor subfamily 2 group C member 2	Homo sapiens (human)
sequence-specific double-stranded DNA binding	Nuclear receptor subfamily 2 group C member 2	Homo sapiens (human)
nuclear receptor activity	Nuclear receptor subfamily 2 group C member 2	Homo sapiens (human)
protein kinase activity	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
protein serine/threonine kinase activity	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
MAP kinase kinase activity	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
protein serine/threonine/tyrosine kinase activity	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
protein tyrosine kinase activity	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
MAP-kinase scaffold activity	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
protein binding	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
ATP binding	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
protein kinase activator activity	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
protein serine/threonine kinase activator activity	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
scaffold protein binding	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
protein serine kinase activity	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
transcription cis-regulatory region binding	Transcription factor p65	Homo sapiens (human)
RNA polymerase II transcription regulatory region sequence-specific DNA binding	Transcription factor p65	Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA binding	Transcription factor p65	Homo sapiens (human)
RNA polymerase II core promoter sequence-specific DNA binding	Transcription factor p65	Homo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specific	Transcription factor p65	Homo sapiens (human)
transcription coactivator binding	Transcription factor p65	Homo sapiens (human)
DNA-binding transcription repressor activity, RNA polymerase II-specific	Transcription factor p65	Homo sapiens (human)
DNA-binding transcription activator activity, RNA polymerase II-specific	Transcription factor p65	Homo sapiens (human)
DNA binding	Transcription factor p65	Homo sapiens (human)
chromatin binding	Transcription factor p65	Homo sapiens (human)
DNA-binding transcription factor activity	Transcription factor p65	Homo sapiens (human)
protein binding	Transcription factor p65	Homo sapiens (human)
enzyme binding	Transcription factor p65	Homo sapiens (human)
protein kinase binding	Transcription factor p65	Homo sapiens (human)
chromatin DNA binding	Transcription factor p65	Homo sapiens (human)
ubiquitin protein ligase binding	Transcription factor p65	Homo sapiens (human)
peptide binding	Transcription factor p65	Homo sapiens (human)
phosphate ion binding	Transcription factor p65	Homo sapiens (human)
identical protein binding	Transcription factor p65	Homo sapiens (human)
protein homodimerization activity	Transcription factor p65	Homo sapiens (human)
actinin binding	Transcription factor p65	Homo sapiens (human)
histone deacetylase binding	Transcription factor p65	Homo sapiens (human)
NF-kappaB binding	Transcription factor p65	Homo sapiens (human)
ankyrin repeat binding	Transcription factor p65	Homo sapiens (human)
general transcription initiation factor binding	Transcription factor p65	Homo sapiens (human)
DNA-binding transcription factor binding	Transcription factor p65	Homo sapiens (human)
protein serine/threonine phosphatase activity	TGF-beta-activated kinase 1 and MAP3K7-binding protein 1	Homo sapiens (human)
protein binding	TGF-beta-activated kinase 1 and MAP3K7-binding protein 1	Homo sapiens (human)
protein serine/threonine kinase activator activity	TGF-beta-activated kinase 1 and MAP3K7-binding protein 1	Homo sapiens (human)
protein-containing complex binding	TGF-beta-activated kinase 1 and MAP3K7-binding protein 1	Homo sapiens (human)
mitogen-activated protein kinase p38 binding	TGF-beta-activated kinase 1 and MAP3K7-binding protein 1	Homo sapiens (human)
molecular adaptor activity	TGF-beta-activated kinase 1 and MAP3K7-binding protein 1	Homo sapiens (human)
protein binding	BMP-2-inducible protein kinase	Homo sapiens (human)
ATP binding	BMP-2-inducible protein kinase	Homo sapiens (human)
protein serine kinase activity	BMP-2-inducible protein kinase	Homo sapiens (human)
phosphatase regulator activity	BMP-2-inducible protein kinase	Homo sapiens (human)
AP-2 adaptor complex binding	BMP-2-inducible protein kinase	Homo sapiens (human)
protein serine/threonine kinase activity	BMP-2-inducible protein kinase	Homo sapiens (human)
protein binding	Phospholipase A-2-activating protein	Homo sapiens (human)
phospholipase A2 activator activity	Phospholipase A-2-activating protein	Homo sapiens (human)
ubiquitin binding	Phospholipase A-2-activating protein	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
nucleus	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
cytoplasm	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
cytosol	Dual specificity mitogen-activated protein kinase kinase 7	Homo sapiens (human)
cytoplasm	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
cytosol	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
nucleus	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
cytosol	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
plasma membrane	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
endosome membrane	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
ATAC complex	Mitogen-activated protein kinase kinase kinase 7	Homo sapiens (human)
extracellular region	Mitogen-activated protein kinase 1	Homo sapiens (human)
nucleus	Mitogen-activated protein kinase 1	Homo sapiens (human)
nucleoplasm	Mitogen-activated protein kinase 1	Homo sapiens (human)
cytoplasm	Mitogen-activated protein kinase 1	Homo sapiens (human)
mitochondrion	Mitogen-activated protein kinase 1	Homo sapiens (human)
early endosome	Mitogen-activated protein kinase 1	Homo sapiens (human)
late endosome	Mitogen-activated protein kinase 1	Homo sapiens (human)
endoplasmic reticulum lumen	Mitogen-activated protein kinase 1	Homo sapiens (human)
Golgi apparatus	Mitogen-activated protein kinase 1	Homo sapiens (human)
centrosome	Mitogen-activated protein kinase 1	Homo sapiens (human)
cytosol	Mitogen-activated protein kinase 1	Homo sapiens (human)
cytoskeleton	Mitogen-activated protein kinase 1	Homo sapiens (human)
plasma membrane	Mitogen-activated protein kinase 1	Homo sapiens (human)
caveola	Mitogen-activated protein kinase 1	Homo sapiens (human)
focal adhesion	Mitogen-activated protein kinase 1	Homo sapiens (human)
pseudopodium	Mitogen-activated protein kinase 1	Homo sapiens (human)
azurophil granule lumen	Mitogen-activated protein kinase 1	Homo sapiens (human)
synapse	Mitogen-activated protein kinase 1	Homo sapiens (human)
mitotic spindle	Mitogen-activated protein kinase 1	Homo sapiens (human)
ficolin-1-rich granule lumen	Mitogen-activated protein kinase 1	Homo sapiens (human)
cytoplasm	Mitogen-activated protein kinase 1	Homo sapiens (human)
nucleus	Mitogen-activated protein kinase 1	Homo sapiens (human)
nucleus	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
cytosol	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
axon	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
dendrite cytoplasm	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
perikaryon	Dual specificity mitogen-activated protein kinase kinase 4	Homo sapiens (human)
nucleoplasm	Nuclear receptor subfamily 2 group C member 2	Homo sapiens (human)
chromatin	Nuclear receptor subfamily 2 group C member 2	Homo sapiens (human)
nucleus	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
mitochondrion	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
early endosome	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
late endosome	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
endoplasmic reticulum	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
Golgi apparatus	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
centrosome	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
cytosol	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
plasma membrane	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
focal adhesion	Dual specificity mitogen-activated protein kinase kinase 1	Homo sapiens (human)
nucleolus	Transcription factor p65	Homo sapiens (human)
nucleus	Transcription factor p65	Homo sapiens (human)
glutamatergic synapse	Transcription factor p65	Homo sapiens (human)
nucleus	Transcription factor p65	Homo sapiens (human)
nucleoplasm	Transcription factor p65	Homo sapiens (human)
cytoplasm	Transcription factor p65	Homo sapiens (human)
cytosol	Transcription factor p65	Homo sapiens (human)
NF-kappaB p50/p65 complex	Transcription factor p65	Homo sapiens (human)
NF-kappaB complex	Transcription factor p65	Homo sapiens (human)
chromatin	Transcription factor p65	Homo sapiens (human)
transcription regulator complex	Transcription factor p65	Homo sapiens (human)
cytoplasm	Transcription factor p65	Homo sapiens (human)
cytoplasm	TGF-beta-activated kinase 1 and MAP3K7-binding protein 1	Homo sapiens (human)
endoplasmic reticulum	TGF-beta-activated kinase 1 and MAP3K7-binding protein 1	Homo sapiens (human)
endoplasmic reticulum membrane	TGF-beta-activated kinase 1 and MAP3K7-binding protein 1	Homo sapiens (human)
cytosol	TGF-beta-activated kinase 1 and MAP3K7-binding protein 1	Homo sapiens (human)
endosome membrane	TGF-beta-activated kinase 1 and MAP3K7-binding protein 1	Homo sapiens (human)
nuclear speck	TGF-beta-activated kinase 1 and MAP3K7-binding protein 1	Homo sapiens (human)
protein-containing complex	TGF-beta-activated kinase 1 and MAP3K7-binding protein 1	Homo sapiens (human)
cytosol	TGF-beta-activated kinase 1 and MAP3K7-binding protein 1	Homo sapiens (human)
nuclear speck	BMP-2-inducible protein kinase	Homo sapiens (human)
cytoplasm	BMP-2-inducible protein kinase	Homo sapiens (human)
nucleus	BMP-2-inducible protein kinase	Homo sapiens (human)
nucleus	Phospholipase A-2-activating protein	Homo sapiens (human)
cytoplasm	Phospholipase A-2-activating protein	Homo sapiens (human)
synapse	Phospholipase A-2-activating protein	Homo sapiens (human)
extracellular exosome	Phospholipase A-2-activating protein	Homo sapiens (human)
cytoplasm	Phospholipase A-2-activating protein	Homo sapiens (human)
nucleus	Phospholipase A-2-activating protein	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (327)

Assay ID	Title	Year	Journal	Article
AID686947	qHTS for small molecule inhibitors of Yes1 kinase: Primary Screen	2013	Bioorganic & medicinal chemistry letters, Aug-01, Volume: 23, Issue:15	Identification of potent Yes1 kinase inhibitors using a library screening approach.
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	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1345781	Human mitogen-activated protein kinase kinase kinase 7 (TAK1 subfamily)	2012	Journal of medicinal chemistry, Jul-26, Volume: 55, Issue:14	Irreversible protein kinase inhibitors: balancing the benefits and risks.
AID1345781	Human mitogen-activated protein kinase kinase kinase 7 (TAK1 subfamily)	2013	ACS chemical biology, Mar-15, Volume: 8, Issue:3	Mechanism and in vitro pharmacology of TAK1 inhibition by (5Z)-7-Oxozeaenol.
AID1490268	Inhibition of YANK3 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DVKPDNILLDER probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1176814	Inhibition of ERK2 (unknown origin) using FITC-labeled substrate peptide assessed as phosphorylation	2015	Bioorganic & medicinal chemistry letters, Feb-01, Volume: 25, Issue:3	5Z-7-Oxozeaenol covalently binds to MAP2K7 at Cys218 in an unprecedented manner.
AID1490096	Inhibition of CDK6 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPQNILVTSSGQIK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490071	Inhibition of AurA in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKPENLLLGSAGELK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1772487	Inhibition of Tak1/Tab1 (unknown origin) assessed as inhibition of Tak1 kinase activity preincubated for 30 mins followed by addition of MBP protein and ATP and measured after 2 hrs by ADP-Glo kinase assay	2021	European journal of medicinal chemistry, Nov-05, Volume: 223	Design, synthesis, docking, molecular dynamics and bioevaluation studies on novel N-methylpicolinamide and thienopyrimidine derivatives with inhibiting NF-κB and TAK1 activities: Cheminformatics tools RDKit applied in drug design.
AID1709628	Cytotoxicity against TNFalpha-induced human HCT-15 cells assessed as reduction in cell viability preincubated for 2 hrs followed by TNFalpha stimulation and measured after 72 hrs by celltiter-glo assay	2021	ACS medicinal chemistry letters, Apr-08, Volume: 12, Issue:4	Discovery of 2,4-1
AID1490314	Antiproliferative activity against human NCI-H23 cells harboring KRAS G12C mutant after 72 hrs by CellTiter-Glo assay	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490850	Inhibition of human FLT3 (592 to 969 residues) expressed in bacterial expression system assessed as enzyme activity at 10 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490107	Inhibition of EGFR in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled IPVAIKELR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490114	Inhibition of FES in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled LRADNTLVAVKSCR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490210	Inhibition of p70S6K in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPENIMLNHQGHVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490846	Inhibition of human MEK5 (98 to 448 residues) expressed in mammalian expression system assessed as enzyme activity at 10 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490209	Inhibition of p38g in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPGNLAVNEDCELK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490200	Inhibition of NEK7 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKPANVFITATGVVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490072	Inhibition of AurA in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled GKFGNVYLAR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490193	Inhibition of YSK1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKAANVLLSEQGDVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1336654	Inhibition of full length recombinant human GST-tagged ERK2 expressed in Escherichia coli using Ser/Thr 03 as substrate after 1 hr by Z'-Lyte assay	2017	Bioorganic & medicinal chemistry, 02-01, Volume: 25, Issue:3	Structure-guided development of covalent TAK1 inhibitors.
AID1876268	Binding affinity to BIKE (unknown origin) assessed as dissociation constant	2022	Journal of medicinal chemistry, 01-27, Volume: 65, Issue:2	Kinase Inhibitors as Underexplored Antiviral Agents.
AID1490214	Inhibition of PCTAIRE1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled SKLTDNLVALKEIR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490269	Inhibition of ZAK in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled WISQDKEVAVKK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490146	Inhibition of KHS1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled NVHTGELAAVKIIK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490162	Inhibition of MAP2K4 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKPSNILLDR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490093	Inhibition of CDK8 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPANILVMGEGPER probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490279	Inhibition of human FLT4 (821 to 1196 residues) expressed in bacterial expression system assessed as enzyme activity at 1 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490154	Inhibition of LOK in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKAGNVLMTLEGDIR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490174	Inhibition of MARK2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled EVAVKIIDK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490235	Inhibition of RAF1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DMKSNNIFLHEGLTVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490216	Inhibition of PCTAIRE3 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPQNLLINER probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490281	Inhibition of human FLT1 (781 to 1239 residues) expressed in bacterial expression system assessed as enzyme activity at 1 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490832	Inhibition of TAK1 in RA patient-derived synovial fibroblasts assessed as inhibition of IL-1alpha-induced cytokine secretion at 0.6 uM preincubated for 3 hrs followed by IL-1alpha stimulation measured after 18 hrs by sandwich immunoassay	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID470679	Normalised AUC in BALB/c mouse at 3 mg/kg, iv	2009	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 19, Issue:21	Discovery of a potent, metabolically stabilized resorcylic lactone as an anti-inflammatory lead.
AID1490254	Inhibition of TAO3 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKAGNILLTEPGQVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID606027	Antimicrobial activity against Staphylococcus aureus by agar plate diffusion assay	2011	Journal of natural products, May-27, Volume: 74, Issue:5	Resorcylic acid lactones with cytotoxic and NF-κB inhibitory activities and their structure-activity relationships.
AID1490198	Inhibition of NEK6 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled TVALKK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490091	Inhibition of CDC2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPQNLLIDDK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1254043	Inhibition of TAK1 (unknown origin)	2015	Bioorganic & medicinal chemistry, Nov-01, Volume: 23, Issue:21	Isolation, semisynthesis, covalent docking and transforming growth factor beta-activated kinase 1 (TAK1)-inhibitory activities of (5Z)-7-oxozeaenol analogues.
AID1490271	Inhibition of ZC1/HGK in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKGQNVLLTENAEVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490133	Inhibition of IKKb in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPENIVLQQGEQR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490248	Inhibition of SRPK1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled IIHTDIKPENILLSVNEQYIR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490236	Inhibition of RIPK3 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPSNVLLDPELHVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490177	Inhibition of MARK3 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKAENLLLDADMNIK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490102	Inhibition of CSK in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled VSDFGLTKEASSTQDTGKLPVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490245	Inhibition of SGK3 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled FYAVKVLQK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490296	Inhibition of TAK1 (unknown origin) by LanthaScreen assay	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490173	Inhibition of MARK1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled EVAVKIIDK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490167	Inhibition of MAP3K15 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKGDNVLVNTYSGVVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1176813	Inhibition of MAP2K1 (unknown origin) using unphosphorylated GST-tagged ERK2 substrate protein assessed as phosphorylation by ELISA	2015	Bioorganic & medicinal chemistry letters, Feb-01, Volume: 25, Issue:3	5Z-7-Oxozeaenol covalently binds to MAP2K7 at Cys218 in an unprecedented manner.
AID1490205	Inhibition of OSR1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DVKAGNILLGEDGSVQIADFGVSAFLATGGDITR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490079	Inhibition of BRAF in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKSNNIFLHEDLTVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490066	Inhibition of AMPKa2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPENVLLDAHMNAK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490219	Inhibition of PEK in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPSNIFFTMDDVVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490126	Inhibition of GCN2 domain2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPVNIFLDSDDHVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490838	Increase in secretion of basic-FGF in IL-1alpha activated RA patient-derived synovial fibroblasts at 0.6 to 3 uM preincubated for 3 hrs followed by IL-1alpha stimulation measured after 18 hrs by sandwich immunoassay	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490139	Inhibition of IRE1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPHNILISMPNAHGK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490849	Inhibition of human FLT1 (781 to 1239 residues) expressed in bacterial expression system assessed as enzyme activity at 10 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490100	Inhibition of CHK2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPENVLLSSQEEDCLIK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490207	Inhibition of p38a in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled QELNKTIWEVPER probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490309	Antiproliferative activity against human SW156 cells harboring wild type KRAS after 72 hrs by CellTiter-Glo assay	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490099	Inhibition of CHK1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKPENLLLDER probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490241	Inhibition of RSK3 domain1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPENILLDEEGHIK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490122	Inhibition of FYN in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled QGAKFPIKWTAPEAALYGR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490164	Inhibition of MAP2K6 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DVKPSNVLINALGQVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490847	Inhibition of human FLT4 (821 to 1196 residues) expressed in bacterial expression system assessed as enzyme activity at 10 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490292	Inhibition of human TAK1 (1 to 303 residues) expressed in mammalian expression system assessed as enzyme activity at 1 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490132	Inhibition of IKKa in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPENIVLQDVGGK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490307	Antiproliferative activity against human PANC1 cells harboring KRAS G12D mutant after 72 hrs by CellTiter-Glo assay	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490184	Inhibition of MLKL in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled APVAIKVFK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490266	Inhibition of Wnk2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKCDNIFITGPTGSVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490208	Inhibition of p38d in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPGNLAVNEDCELK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490291	Inhibition of human RSK4 (1 to 397 residues) expressed in mammalian expression system assessed as enzyme activity at 1 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490282	Inhibition of human FLT3 (592 to 969 residues) expressed in bacterial expression system assessed as enzyme activity at 1 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490165	Inhibition of MAP2K7 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DVKPSNILLDER probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490226	Inhibition of PIP4K2C in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled TLVIKEVSSEDIADMHSNLSNYHQYIVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490104	Inhibition of DNAPK in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled KGGSWIQEINVAEK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID470414	Volume of distribution at steady state in BALB/c mouse at 3 mg/kg, iv	2009	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 19, Issue:21	Discovery of a potent, metabolically stabilized resorcylic lactone as an anti-inflammatory lead.
AID1490074	Inhibition of AurC in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled GKFGNVYLAR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490129	Inhibition of HER2/ErbB2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled GIWIPDGENVKIPVAIKVLR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490258	Inhibition of TLK2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled YLNEIKPPIIHYDLKPGNILLVNGTACEIK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490152	Inhibition of LCK in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled EGAKFPIKWTAPEAINYGTFTIK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490111	Inhibition of Erk2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPSNLLLNTTCDLK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490097	Inhibition of CDK7 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPNNLLLDENGVLK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID719897	Inhibition of Erk2	2012	Journal of medicinal chemistry, Jul-26, Volume: 55, Issue:14	Irreversible protein kinase inhibitors: balancing the benefits and risks.
AID1490085	Inhibition of CaMK2g in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPENLLLASK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490160	Inhibition of MAP2K2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DVKPSNILVNSR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID470413	Clearance in BALB/c mouse at 3 mg/kg, iv	2009	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 19, Issue:21	Discovery of a potent, metabolically stabilized resorcylic lactone as an anti-inflammatory lead.
AID1490070	Inhibition of AurA in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled FILALKVLFK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1311909	Inhibition of full length TAK1 (unknown origin) fused with TAB1 using biotin-MKK6 as substrate by AlphaScreen assay	2016	Bioorganic & medicinal chemistry, 09-15, Volume: 24, Issue:18	Discovery of a potent and highly selective transforming growth factor β receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD).
AID1490159	Inhibition of MAP2K1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DVKPSNILVNSR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490170	Inhibition of MAP3K3 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKGANILR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490238	Inhibition of RSK1 domain1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled LTDFGLSKEAIDHEKK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID589426	Competitive inhibition of recombinant TAK1-TAB1 assessed as [33P]gamma-ATP incorporation into substrate histone H1 peptide by filter plate assay	2011	Bioorganic & medicinal chemistry letters, Mar-15, Volume: 21, Issue:6	Oxindole derivatives as inhibitors of TAK1 kinase.
AID1490305	Antiproliferative activity against human SW620 cells harboring KRAS G12V mutant after 72 hrs by CellTiter-Glo assay	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490839	Increase in secretion of basic-FGF in poly(I:C) activated RA patient-derived synovial fibroblasts at 0.6 to 3 uM preincubated for 3 hrs followed by poly(I:C) stimulation measured after 18 hrs by sandwich immunoassay	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490294	Inhibition of human VEGFR2 (787 to 1253 residues) expressed in mammalian expression system assessed as enzyme activity at 1 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490080	Inhibition of CaMK1a in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled LVAIKCIAK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490837	Increase in secretion of basic-FGF in TNFalpha activated RA patient-derived synovial fibroblasts at 0.6 to 3 uM preincubated for 3 hrs followed by TNFalpha stimulation measured after 18 hrs by sandwich immunoassay	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490267	Inhibition of Wnk3 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKCDNIFITGPTGSVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490191	Inhibition of MST3 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKAANVLLSEHGEVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID719898	Inhibition of MEK1	2012	Journal of medicinal chemistry, Jul-26, Volume: 55, Issue:14	Irreversible protein kinase inhibitors: balancing the benefits and risks.
AID1490252	Inhibition of TAK1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPPNLLLVAGGTVLK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1254042	Inhibition of TAK1 (unknown origin) expressed in sf9 cells assessed as 32P level incorporation into myelin basic protein incubated for 5 mins at 30 degC by immunoprecipitation method	2015	Bioorganic & medicinal chemistry, Nov-01, Volume: 23, Issue:21	Isolation, semisynthesis, covalent docking and transforming growth factor beta-activated kinase 1 (TAK1)-inhibitory activities of (5Z)-7-oxozeaenol analogues.
AID480394	Antiinflammatory activity in iv dosed mouse assessed as inhibition of LPS-stimulated TNFalpha production	2010	Bioorganic & medicinal chemistry letters, May-15, Volume: 20, Issue:10	Discovery of an in vitro and in vivo potent resorcylic lactone analog of LL-Z1640-2 as anti-inflammatory lead, II.
AID1490227	Inhibition of PIP5K3 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled GGKSGAAFYATEDDRFILK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490192	Inhibition of MST4 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKAANVLLSEQGDVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490275	Inhibition of full length human MEK1 (1 to 393 residues) expressed in mammalian expression system assessed as enzyme activity at 1 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490194	Inhibition of NDR1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKPDNLLLDSK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490127	Inhibition of GSK3A in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKPQNLLVDPDTAVLK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490069	Inhibition of ATR in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled FYIMMCKPK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490084	Inhibition of CaMK2d in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPENLLLASK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490276	Inhibition of full length human MEK2 (1 to 400 residues) expressed in mammalian expression system assessed as enzyme activity at 1 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490128	Inhibition of GSK3B in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKPQNLLLDPDTAVLK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490851	Inhibition of human KIT (571 to 952 residues) expressed in bacterial expression system assessed as enzyme activity at 10 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490082	Inhibition of CaMK2a in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPENLLLASK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490854	Inhibition of full length human MEK3 (1 to 318 residues) expressed in mammalian expression system assessed as enzyme activity at 10 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490075	Inhibition of AurB in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled SHFIVALKVLFK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490204	Inhibition of NuaK2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled LVAIKSIR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1176815	Inhibition of TAK1 (unknown origin) using unphosphorylated GST-tagged MAP2K7 substrate protein assessed as phosphorylation by ELISA	2015	Bioorganic & medicinal chemistry letters, Feb-01, Volume: 25, Issue:3	5Z-7-Oxozeaenol covalently binds to MAP2K7 at Cys218 in an unprecedented manner.
AID1336665	Inhibition of human TAK1 (M1 to Q303 residues) expressed in mammalian expression system at 10 uM by KINOMEScan assay	2017	Bioorganic & medicinal chemistry, 02-01, Volume: 25, Issue:3	Structure-guided development of covalent TAK1 inhibitors.
AID1490289	Inhibition of human ZAK (1 to 331 residues) expressed in bacterial expression system assessed as enzyme activity at 1 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490298	Antiproliferative activity against mouse BA/F3 cells harboring KRAS G12D mutant after 72 hrs by CellTiter-Glo assay	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490239	Inhibition of RSK1 domain1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPENILLDEEGHIK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490134	Inhibition of IKKe in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKPGNIMR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID470411	Antiinflammatory activity in human THP1 cells assessed as inhibition of LPS-induced TNFalpha production by PLAP reporter assay	2009	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 19, Issue:21	Discovery of a potent, metabolically stabilized resorcylic lactone as an anti-inflammatory lead.
AID1490280	Inhibition of human MEK4 (84 to 399 residues) expressed in mammalian expression system assessed as enzyme activity at 1 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490842	Inhibition of full length human RIOK3 (1 to 519 residues) expressed in bacterial expression system assessed as enzyme activity at 10 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490852	Inhibition of human TGFBR2 (218 to 567 residues) expressed in bacterial expression system assessed as enzyme activity at 10 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490197	Inhibition of NEK4 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKTQNVFLTR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490290	Inhibition of human PRKD2 (519 to 838 residues) expressed in bacterial expression system assessed as enzyme activity at 1 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490110	Inhibition of Erk1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPSNLLINTTCDLK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490171	Inhibition of MAP3K4 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKGANIFLTSSGLIK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490199	Inhibition of NEK6 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKPANVFITATGVVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID606022	Cytotoxicity against human MCF7 cells after 72 hrs by MTS assay	2011	Journal of natural products, May-27, Volume: 74, Issue:5	Resorcylic acid lactones with cytotoxic and NF-κB inhibitory activities and their structure-activity relationships.
AID553212	Metabolic stability in mouse blood assessed as compound conversion to metabolite C7'-C8' E isomer	2011	ACS medicinal chemistry letters, Jan-13, Volume: 2, Issue:1	Kinase inhibition by deoxy analogues of the resorcylic lactone L-783277.
AID470412	Antiinflammatory activity in human B164 cells assessed as inhibition of LPS-induced Actin production by PLAP reporter assay	2009	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 19, Issue:21	Discovery of a potent, metabolically stabilized resorcylic lactone as an anti-inflammatory lead.
AID1490316	Antiproliferative activity against human NCI-H23 cells harboring KRAS G12C mutant at	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490844	Inhibition of full length human MEK2 (1 to 400 residues) expressed in mammalian expression system assessed as enzyme activity at 10 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490117	Inhibition of PDGFRb in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled VAVKMLK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490185	Inhibition of MRCKb in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKPDNVLLDVNGHIR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490131	Inhibition of HPK1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKGANILINDAGEVR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490242	Inhibition of RSK1 domain2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPSNILYVDESGNPECLR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490135	Inhibition of TBK1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKPGNIMR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490274	Inhibition of full length human RIOK3 (1 to 519 residues) expressed in bacterial expression system assessed as enzyme activity at 1 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490083	Inhibition of CaMK2b in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPENLLLASK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490293	Inhibition of human BIKE (34 to 329 residues) expressed in bacterial expression system assessed as enzyme activity at 1 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490155	Inhibition of LYN in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled VAVKTLKPGTMSVQAFLEEANLMK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490081	Inhibition of CaMK1d in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled LFAVKCIPK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490853	Inhibition of human STK36 (1 to 271 residues) expressed in bacterial expression system assessed as enzyme activity at 10 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1336664	Inhibition of human TAK1 (M1 to Q303 residues) expressed in mammalian expression system at 1 uM by KINOMEScan assay	2017	Bioorganic & medicinal chemistry, 02-01, Volume: 25, Issue:3	Structure-guided development of covalent TAK1 inhibitors.
AID1469808	Inhibition of TNFalpha-PLAP (unknown origin)	2017	Journal of medicinal chemistry, 02-09, Volume: 60, Issue:3	Covalent Modifiers: A Chemical Perspective on the Reactivity of α,β-Unsaturated Carbonyls with Thiols via Hetero-Michael Addition Reactions.
AID606026	Antimicrobial activity against Escherichia coli by agar plate diffusion assay	2011	Journal of natural products, May-27, Volume: 74, Issue:5	Resorcylic acid lactones with cytotoxic and NF-κB inhibitory activities and their structure-activity relationships.
AID1490182	Inhibition of MLK3 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKSNNILLLQPIESDDMEHK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490220	Inhibition of PFTAIRE2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPQNLLISHLGELK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490153	Inhibition of LKB1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKPGNLLLTTGGTLK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490221	Inhibition of PI4KB in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled VPHTQAVVLNSKDK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490283	Inhibition of human KIT (571 to 952 residues) expressed in bacterial expression system assessed as enzyme activity at 1 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490113	Inhibition of FER in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled TSVAVKTCKEDLPQELK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490222	Inhibition of PIK3C2B in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled VIFKCGDDLRQDMLTLQMIR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490145	Inhibition of JNK3 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPSNIVVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490065	Inhibition of AMPKa1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPENVLLDAHMNAK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490137	Inhibition of IRAK1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled AIQFLHQDSPSLIHGDIKSSNVLLDER probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490087	Inhibition of CaMK2g in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled TSTQEYAAKIINTK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490250	Inhibition of STLK6 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled SIKASHILISGDGLVTLSGLSHLHSLV probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490095	Inhibition of CDK5 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPQNLLINR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490073	Inhibition of AurB in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled GKFGNVYLAR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490195	Inhibition of NDR2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKPDNLLLDAK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490108	Inhibition of EphA2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled VLEDDPEATYTTSGGKIPIR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID553123	Metabolic stability in mouse plasma assessed as compound conversion to metabolite C7'-C8' E isomer	2011	ACS medicinal chemistry letters, Jan-13, Volume: 2, Issue:1	Kinase inhibition by deoxy analogues of the resorcylic lactone L-783277.
AID1490243	Inhibition of RSK2 domain2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPSNILYVDESGNPESIR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490112	Inhibition of Erk5 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPSNLLVNENCELK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID719900	Inhibition of MKK4	2012	Journal of medicinal chemistry, Jul-26, Volume: 55, Issue:14	Irreversible protein kinase inhibitors: balancing the benefits and risks.
AID606021	Cytotoxicity against human HT-29 cells after 72 hrs by MTS assay	2011	Journal of natural products, May-27, Volume: 74, Issue:5	Resorcylic acid lactones with cytotoxic and NF-κB inhibitory activities and their structure-activity relationships.
AID1490156	Inhibition of MAP2K1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled IMHRDVKPSNILVNSR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490098	Inhibition of CHED in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKCSNILLNNR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490140	Inhibition of IRE2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPGNILITGPDSQGLGR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490181	Inhibition of MET in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled TGAKLPVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490090	Inhibition of CCRK in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPANLLISASGQLK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490860	Inhibition of human TAK1 (1 to 303 residues) expressed in mammalian expression system assessed as enzyme activity at 10 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490295	Inhibition of human CDKL2 (1 to 327 residues) expressed in bacterial expression system assessed as enzyme activity at 1 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490088	Inhibition of CaMK4 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPENLLYATPAPDAPLK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490862	Inhibition of human VEGFR2 (787 to 1253 residues) expressed in mammalian expression system assessed as enzyme activity at 10 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490176	Inhibition of MARK2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKAENLLLDADMNIK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490224	Inhibition of PIK3CB in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled VFGEDSVGVIFKNGDDLRQDMLTLQMLR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490233	Inhibition of PRP4 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled CNILHADIKPDNILVNESK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490212	Inhibition of PAK2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled IGQGASGTVFTATDVALGQEVAIKQINLQK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490310	Antiproliferative activity against human URMC6 cells harboring wild type KRAS after 72 hrs by CellTiter-Glo assay	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490189	Inhibition of MST2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKAGNILLNTEGHAK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490123	Inhibition of SRC in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled QGAKFPIKWTAPEAALYGR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490863	Inhibition of human CDKL2 (1 to 327 residues) expressed in bacterial expression system assessed as enzyme activity at 10 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID606028	Antimicrobial activity against Mycobacterium smegmatis by agar plate diffusion assay	2011	Journal of natural products, May-27, Volume: 74, Issue:5	Resorcylic acid lactones with cytotoxic and NF-κB inhibitory activities and their structure-activity relationships.
AID606029	Antimicrobial activity against Bacillus subtilis by agar plate diffusion assay	2011	Journal of natural products, May-27, Volume: 74, Issue:5	Resorcylic acid lactones with cytotoxic and NF-κB inhibitory activities and their structure-activity relationships.
AID1490190	Inhibition of MST2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled ESGQVVAIKQVPVESDLQEIIK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490273	Inhibition of ZC3/MINK in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKGQNVLLTENAEVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490068	Inhibition of ARAF in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKSNNIFLHEGLTVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490848	Inhibition of human MEK4 (84 to 399 residues) expressed in mammalian expression system assessed as enzyme activity at 10 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490180	Inhibition of MASTL in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled LYAVKVVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490211	Inhibition of p70S6Kb in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPENIMLSSQGHIK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490278	Inhibition of human MEK5 (98 to 448 residues) expressed in mammalian expression system assessed as enzyme activity at 1 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490178	Inhibition of MARK3 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled EVAIKIIDKTQLNPTSLQK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490308	Antiproliferative activity against human AsPC1 cells harboring KRAS G12D mutant after 72 hrs by CellTiter-Glo assay	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490092	Inhibition of CDK11 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPANILVMGEGPER probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490858	Inhibition of human PRKD2 (519 to 838 residues) expressed in bacterial expression system assessed as enzyme activity at 10 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490270	Inhibition of ZAP70 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled ISDFGLSKALGADDSYYTAR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490105	Inhibition of eEF2K in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled YIKYNSNSGFVR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490272	Inhibition of ZC2/TNIK in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKGQNVLLTENAEVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490183	Inhibition of MLK4 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKSSNILLLEK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490218	Inhibition of PCTAIRE3 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled SKLTENLVALKEIR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490106	Inhibition of EGFR in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled LLGAEEKEYHAEGGKVPIK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490203	Inhibition of NEK9 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKTLNIFLTK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID470678	Half life in BALB/c mouse at 3 mg/kg, iv	2009	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 19, Issue:21	Discovery of a potent, metabolically stabilized resorcylic lactone as an anti-inflammatory lead.
AID1490161	Inhibition of MAP2K3 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DVKPSNVLINK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490213	Inhibition of PAN3 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled VMDPTKILITGK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1336652	Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay	2017	Bioorganic & medicinal chemistry, 02-01, Volume: 25, Issue:3	Structure-guided development of covalent TAK1 inhibitors.
AID1490141	Inhibition of JAK1 domain1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled QLASALSYLEDKDLVHGNVCTKNLLLAR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490859	Inhibition of human RSK4 (1 to 397 residues) expressed in mammalian expression system assessed as enzyme activity at 10 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490188	Inhibition of MST1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKAGNILLNTEGHAK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490130	Inhibition of HER3/ErbB3 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled GVWIPEGESIKIPVCIKVIEDK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID606031	Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells by ELISA	2011	Journal of natural products, May-27, Volume: 74, Issue:5	Resorcylic acid lactones with cytotoxic and NF-κB inhibitory activities and their structure-activity relationships.
AID1490119	Inhibition of FRAP in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled IQSIAPSLQVITSKQRPR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1336653	Inhibition of full length recombinant human His-tagged MEK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assay	2017	Bioorganic & medicinal chemistry, 02-01, Volume: 25, Issue:3	Structure-guided development of covalent TAK1 inhibitors.
AID1490086	Inhibition of CaMK2d in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled IPTGQEYAAKIINTKK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490317	Antiproliferative activity against human NCI-H358 cells harboring KRAS G12C mutant at	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490149	Inhibition of KSR2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled SKNVFYDNGK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1772488	Inhibition of NF-kB (unknown origin) expressed in HEK293T cells transfected with pTK-Renilla reporter preincubated for 6 hrs followed by addition of TNF-alpha and measured after 8 hrs by Dual luciferase reporter assay	2021	European journal of medicinal chemistry, Nov-05, Volume: 223	Design, synthesis, docking, molecular dynamics and bioevaluation studies on novel N-methylpicolinamide and thienopyrimidine derivatives with inhibiting NF-κB and TAK1 activities: Cheminformatics tools RDKit applied in drug design.
AID1490163	Inhibition of MAP2K5 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DVKPSNMLVNTR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490187	Inhibition of MST1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled ETGQIVAIKQVPVESDLQEIIK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490246	Inhibition of SLK in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKAGNILFTLDGDIK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID606024	Cytotoxicity against human SF268 cells after 72 hrs by MTS assay	2011	Journal of natural products, May-27, Volume: 74, Issue:5	Resorcylic acid lactones with cytotoxic and NF-κB inhibitory activities and their structure-activity relationships.
AID1490234	Inhibition of PRPK in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled FLSGLELVKQGAEAR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490109	Inhibition of EphB2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled FLEDDTSDPTYTSALGGKIPIR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490147	Inhibition of KHS2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled NVNTGELAAIKVIK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490259	Inhibition of TNK1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled SVPVAVKSLR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490172	Inhibition of MAP3K5 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKGDNVLINTYSGVLK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490299	Antiproliferative activity against mouse BA/F3 cells harboring KRAS G12D mutant after 72 hrs in presence of IL-3 by CellTiter-Glo assay	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1176812	Inhibition of MAP2K7 (unknown origin) using unphosphorylated GST-tagged JNK1 substrate protein assessed as phosphorylation by ELISA	2015	Bioorganic & medicinal chemistry letters, Feb-01, Volume: 25, Issue:3	5Z-7-Oxozeaenol covalently binds to MAP2K7 at Cys218 in an unprecedented manner.
AID1490064	Inhibition of ACK in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled TVSVAVKCLKPDVLSQPEAMDDFIR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490857	Inhibition of human ZAK (1 to 331 residues) expressed in bacterial expression system assessed as enzyme activity at 10 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID553213	Metabolic stability in human plasma assessed as compound conversion to metabolite C7'-C8' E isomer at 55 uM after 20 mins at 37 degC	2011	ACS medicinal chemistry letters, Jan-13, Volume: 2, Issue:1	Kinase inhibition by deoxy analogues of the resorcylic lactone L-783277.
AID1490260	Inhibition of TTK in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled NMLEAVHTIHQHGIVHSDLKPANFLIDGMLK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490256	Inhibition of TBK1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled TGDLFAIKVFNNISFLRPVDVQMR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1613078	Inhibition of full length TAK1/TAB1 (unknown origin) using biotin-MKK6 as substrate by AlphaScreen assay	2019	European journal of medicinal chemistry, Feb-01, Volume: 163	Synthesis and anti-tumor activity of imidazopyrazines as TAK1 inhibitors.
AID1490251	Inhibition of SYK in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled ISDFGLSKALR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490120	Inhibition of FRK in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled HEIKLPVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490148	Inhibition of KSR1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled SKNVFYDNGK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490833	Inhibition of TAK1 in RA patient-derived synovial fibroblasts assessed as inhibition of poly(I:C)-induced cytokine secretion at 0.6 uM preincubated for 3 hrs followed by poly(I:C) stimulation measured after 18 hrs by sandwich immunoassay	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490217	Inhibition of PCTAIRE2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled SKLTENLVALKEIR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490264	Inhibition of Wee1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled YIHSMSLVHMDIKPSNIFISR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490158	Inhibition of MAP2K2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled KLIHLEIKPAIR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490306	Antiproliferative activity against human SKCO1 cells harboring KRAS G12V mutant after 72 hrs by CellTiter-Glo assay	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490157	Inhibition of MAP2K1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled KLIHLEIKPAIR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490287	Inhibition of human PDGFRA (575 to 1002 residues) expressed in mammalian expression system assessed as enzyme activity at 1 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490186	Inhibition of MSK2 domain1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKLENVLLDSEGHIVLTDFGLSK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490136	Inhibition of ILK in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled WQGNDIVVKVLK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490845	Inhibition of human PDGFRB (582 to 1009 residues) expressed in bacterial expression system assessed as enzyme activity at 10 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490196	Inhibition of NEK1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKSQNIFLTK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490168	Inhibition of MAP3K2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled ELAVKQVQFDPDSPETSKEVNALECEQLLK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490232	Inhibition of PLK1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled CFEISDADTKEVFAGKIVPK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490124	Inhibition of YES in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled QGAKFPIKWTAPEAALYGR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490247	Inhibition of SMG1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DTVTIHSVGGTITILPTKTKPK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490265	Inhibition of Wnk1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKCDNIFITGPTGSVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490151	Inhibition of LATS2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKPDNILIDLDGHIK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490076	Inhibition of AXL in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled NCMLNENMSVCVADFGLSKK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490277	Inhibition of human PDGFRB (582 to 1009 residues) expressed in bacterial expression system assessed as enzyme activity at 1 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490116	Inhibition of FMS in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled VAVKMLK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490861	Inhibition of human BIKE (34 to 329 residues) expressed in bacterial expression system assessed as enzyme activity at 10 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490150	Inhibition of LATS1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled ALYATKTLR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490856	Inhibition of human ACVR1 (188 to 509 residues) expressed in bacterial expression system assessed as enzyme activity at 10 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490118	Inhibition of TYRO3 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled VAVKMLK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490237	Inhibition of RON in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled IQCAIKSLSR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490215	Inhibition of PCTAIRE1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPQNLLINER probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490230	Inhibition of PKCz in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKLDNVLLDADGHIK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490253	Inhibition of TAO1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKAGNILLTEPGQVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490231	Inhibition of PKR in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPSNIFLVDTK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID719899	Inhibition of MEK7	2012	Journal of medicinal chemistry, Jul-26, Volume: 55, Issue:14	Irreversible protein kinase inhibitors: balancing the benefits and risks.
AID1490179	Inhibition of MAST3 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPDNLLITSLGHIK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490206	Inhibition of p38a in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPSNLAVNEDCELK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID606025	Cytotoxicity against human MDA-MB-435 cells after 72 hrs by MTS assay	2011	Journal of natural products, May-27, Volume: 74, Issue:5	Resorcylic acid lactones with cytotoxic and NF-κB inhibitory activities and their structure-activity relationships.
AID1490249	Inhibition of STLK5 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled YSVKVLPWLSPEVLQQNLQGYDAK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490284	Inhibition of human TGFBR2 (218 to 567 residues) expressed in bacterial expression system assessed as enzyme activity at 1 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490312	Inhibition of biotin-labeled N-(2-(2-(2-(2-(4-(4-((4-((2-Acrylamidophenyl)amino)-5-chloropyrimidin-2-yl)amino)phenyl)piperazin-1-yl)ethoxy)ethoxy)ethoxy)ethyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide probe binding to TAK1	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490078	Inhibition of BMPR1A in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled SKNILIK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490228	Inhibition of PITSLRE in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKTSNLLLSHAGILK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490257	Inhibition of TLK1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled YLNEIKPPIIHYDLKPGNILLVDGTACEIK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID470680	Metabolic stability in mouse plasma after 2 hrs	2009	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 19, Issue:21	Discovery of a potent, metabolically stabilized resorcylic lactone as an anti-inflammatory lead.
AID1490142	Inhibition of JAK1 domain2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled IGDFGLTKAIETDKEYYTVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490121	Inhibition of FYN in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled VAIKTLKPGTMSPESFLEEAQIMK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490286	Inhibition of full length human MEK3 (1 to 318 residues) expressed in mammalian expression system assessed as enzyme activity at 1 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490255	Inhibition of TAO2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DVKAGNILLSEPGLVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490244	Inhibition of RSKL1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled VLGVIDKVLLVMDTR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490138	Inhibition of IRAK4 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKSANILLDEAFTAK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490223	Inhibition of PIK3C3 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled TEDGGKYPVIFKHGDDLRQDQLILQIISLMDK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490077	Inhibition of BARK1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPANILLDEHGHVR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490166	Inhibition of MAP3K1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DVKGANLLIDSTGQR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490240	Inhibition of RSK2 domain1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPENILLDEEGHIK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490143	Inhibition of JNK1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPSNIVVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490288	Inhibition of human ACVR1 (188 to 509 residues) expressed in bacterial expression system assessed as enzyme activity at 1 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490831	Inhibition of TAK1 in RA patient-derived synovial fibroblasts assessed as inhibition of TNFalpha-induced cytokine secretion at 0.6 uM preincubated for 3 hrs followed by TNFalpha stimulation measured after 18 hrs by sandwich immunoassay	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490229	Inhibition of PKCi in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKLDNVLLDSEGHIK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490855	Inhibition of human PDGFRA (575 to 1002 residues) expressed in mammalian expression system assessed as enzyme activity at 10 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490094	Inhibition of CDK2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPQNLLINTEGAIK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID606023	Cytotoxicity against human H460 cells after 72 hrs by MTS assay	2011	Journal of natural products, May-27, Volume: 74, Issue:5	Resorcylic acid lactones with cytotoxic and NF-κB inhibitory activities and their structure-activity relationships.
AID652590	Inhibition of TAK-1	2011	ACS medicinal chemistry letters, Sep-08, Volume: 2, Issue:9	Exploring aigialomycin d and its analogues as protein kinase inhibitors for cancer targets.
AID1490101	Inhibition of CRK7 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKCSNILLNNSGQIK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490262	Inhibition of ULK2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPQNILLSYANR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1436865	Binding affinity to recombinant human biotinylated N-terminal GST-tagged TAK1 (1 to 303 residues) fused with TAB1 (437 to 504 residues) expressed in baculovirus infected sf9 cells at 100 nM in presence of ATP by SPR assay	2017	Bioorganic & medicinal chemistry letters, 02-15, Volume: 27, Issue:4	Identification of a selective inhibitor of transforming growth factor β-activated kinase 1 by biosensor-based screening of focused libraries.
AID1490125	Inhibition of GCK in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKGANLLLTLQGDVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490225	Inhibition of PIP4K2A in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled AKELPTLKDNDFINEGQK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490115	Inhibition of FGFR1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled VAVKMLK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490067	Inhibition of ANKRD3 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled TWLAIKCSPSLHVDDR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490261	Inhibition of ULK1 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPQNILLSNPAGR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490285	Inhibition of human STK36 (1 to 271 residues) expressed in bacterial expression system assessed as enzyme activity at 1 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490843	Inhibition of full length human MEK1 (1 to 393 residues) expressed in mammalian expression system assessed as enzyme activity at 10 uM by KINOMEScan assay relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490201	Inhibition of NEK7 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled AACLLDGVPVALKK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490103	Inhibition of DNAPK in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled EHPFLVKGGEDLR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490263	Inhibition of VRK2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled MLDVLEYIHENEYVHGDIKAANLLLYK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490175	Inhibition of MARK2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled EVAVKIIDKTQLNSSSLQK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490202	Inhibition of NEK8 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKTQNILLDK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490089	Inhibition of CASK in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled ETGQQFAVKIVDVAK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490144	Inhibition of JNK2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DLKPSNIVVK probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1490169	Inhibition of MAP3K2 in human SKCO1 cells at 1 uM after 4 hrs using biotin labeled DIKGANILR probe by mass-spectrometric analysis relative to control	2017	Bioorganic & medicinal chemistry, 02-15, Volume: 25, Issue:4	Studies of TAK1-centered polypharmacology with novel covalent TAK1 inhibitors.
AID1296008	Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening	2020	SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1	Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
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	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	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	1 (4.35)	29.6817
2010's	17 (73.91)	24.3611
2020's	5 (21.74)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	2 (8.70%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	21 (91.30%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
pk 11195 PK-11195 : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 1-(2-chlorophenyl)isoquinoline-3-carboxylic acid with the amino group of sec-butylmethylamine	2.08	1	aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes	antineoplastic agent
pd 173074 [no description available]	2.08	1	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
abt 702 [no description available]	2.08	1	bipyridines
rtki cpd [no description available]	3.51	1	aromatic ether; monochlorobenzenes; quinazolines	antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector
bicalutamide bicalutamide: approved for treatment of advanced prostate cancer. N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide : A member of the class of (trifluoromethyl)benzenes that is 4-amino-2-(trifluoromethyl)benzonitrile in which one of the amino hydrogens is substituted by a 3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanoyl group.. bicalutamide : A racemate comprising of equal amounts of (R)-bicalutamide and (S)-bicalutamide. It is an oral non-steroidal antiandrogen used in the treatment of prostate cancer and hirsutism.	2.08	1	(trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol
verapamil Verapamil: A calcium channel blocker that is a class IV anti-arrhythmia agent.. verapamil : A racemate comprising equimolar amounts of dexverapamil and (S)-verapamil. An L-type calcium channel blocker of the phenylalkylamine class, it is used (particularly as the hydrochloride salt) in the treatment of hypertension, angina pectoris and cardiac arrhythmia, and as a preventive medication for migraine.. 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile : A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group.	2.08	1	aromatic ether; nitrile; polyether; tertiary amino compound
celecoxib [no description available]	2.08	1	organofluorine compound; pyrazoles; sulfonamide; toluenes	cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug
chelerythrine chelerythrine : A benzophenanthridine alkaloid isolated from the root of Zanthoxylum simulans, Chelidonium majus L., and other Papaveraceae.	2.08	1	benzophenanthridine alkaloid; organic cation	antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor
cl 387785 CL 387785: structure in first source. N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}but-2-ynamide : A member of the class of quinazolines that is 4,6-diaminoquinazoine in which the one of the hydrogens attached to the amino group at position 4 has been replaced by a m-bromophenyl group while one of the hydrogens attached to the amino group at position 6 has been replaced by a but-2-ynoyl group.	3.17	1	bromobenzenes; quinazolines; secondary carboxamide; ynamide	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist
furosemide Furosemide: A benzoic-sulfonamide-furan. It is a diuretic with fast onset and short duration that is used for EDEMA and chronic RENAL INSUFFICIENCY.. furosemide : A chlorobenzoic acid that is 4-chlorobenzoic acid substituted by a (furan-2-ylmethyl)amino and a sulfamoyl group at position 2 and 5 respectively. It is a diuretic used in the treatment of congestive heart failure.	2.08	1	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
gossypol Gossypol: A dimeric sesquiterpene found in cottonseed (GOSSYPIUM). The (-) isomer is active as a male contraceptive (CONTRACEPTIVE AGENTS, MALE) whereas toxic symptoms are associated with the (+) isomer.	2.08	1
fasudil fasudil: intracellular calcium antagonist; structure in first source. fasudil : An isoquinoline substituted by a (1,4-diazepan-1-yl)sulfonyl group at position 5. It is a Rho-kinase inhibitor and its hydrochloride hydrate form is approved for the treatment of cerebral vasospasm and cerebral ischemia.	2.08	1	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
indirubin-3'-monoxime indirubin-3'-monoxime: has antiangiogenic activity. indirubin-3'-monoxime : A member of the class of biindoles that is indirubin in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime.	2.08	1
iodoacetamide [no description available]	2.15	1
leflunomide Leflunomide: An isoxazole derivative that inhibits dihydroorotate dehydrogenase, the fourth enzyme in the pyrimidine biosynthetic pathway. It is used an immunosuppressive agent in the treatment of RHEUMATOID ARTHRITIS and PSORIATIC ARTHRITIS.. leflunomide : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-methyl-1,2-oxazole-4-carboxylic acid with the anilino group of 4-(trifluoromethyl)aniline. The prodrug of teriflunomide.	2.08	1	(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
letrozole [no description available]	2.08	1	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
lg 100268 LG 100268: a retinoid X receptor (RXR) selective compound; structure given in first source	2.08	1
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one 2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one: specific inhibitor of phosphatidylinositol 3-kinase; structure in first source	3.51	1	chromones; morpholines; organochlorine compound	autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector
metformin Metformin: A biguanide hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. Metformin improves glycemic control by improving insulin sensitivity and decreasing intestinal absorption of glucose. (From Martindale, The Extra Pharmacopoeia, 30th ed, p289). metformin : A member of the class of guanidines that is biguanide the carrying two methyl substituents at position 1.	2.08	1	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
mitoxantrone Mitoxantrone: An anthracenedione-derived antineoplastic agent.. mitoxantrone : A dihydroxyanthraquinone that is 1,4-dihydroxy-9,10-anthraquinone which is substituted by 6-hydroxy-1,4-diazahexyl groups at positions 5 and 8.	2.08	1	dihydroxyanthraquinone	analgesic; antineoplastic agent
entinostat [no description available]	2.08	1	benzamides; carbamate ester; primary amino compound; pyridines; substituted aniline	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
ethylmaleimide Ethylmaleimide: A sulfhydryl reagent that is widely used in experimental biochemical studies.	2.15	1	maleimides	anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor
olprinone olprinone: RN refers to HCl; structure given in first source	2.08	1	bipyridines
omeprazole Omeprazole: A 4-methoxy-3,5-dimethylpyridyl, 5-methoxybenzimidazole derivative of timoprazole that is used in the therapy of STOMACH ULCERS and ZOLLINGER-ELLISON SYNDROME. The drug inhibits an H(+)-K(+)-EXCHANGING ATPASE which is found in GASTRIC PARIETAL CELLS.. omeprazole : A racemate comprising equimolar amounts of (R)- and (S)-omeprazole.. 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole : A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted by a [4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl group at position 2 and a methoxy group at position 5.	2.08	1	aromatic ether; benzimidazoles; pyridines; sulfoxide
papaverine Papaverine: An alkaloid found in opium but not closely related to the other opium alkaloids in its structure or pharmacological actions. It is a direct-acting smooth muscle relaxant used in the treatment of impotence and as a vasodilator, especially for cerebral vasodilation. The mechanism of its pharmacological actions is not clear, but it apparently can inhibit phosphodiesterases and it may have direct actions on calcium channels.. papaverine : A benzylisoquinoline alkaloid that is isoquinoline substituted by methoxy groups at positions 6 and 7 and a 3,4-dimethoxybenzyl group at position 1. It has been isolated from Papaver somniferum.	3.51	1	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent
pd168393 PD 168393 : A member of the class of quinazolines carrying bromoanilino and acrylamido substituents at positions 4 and 6 respectively.	3.61	2	acrylamides; bromobenzenes; quinazolines; secondary carboxamide; substituted aniline	epidermal growth factor receptor antagonist
pioglitazone Pioglitazone: A thiazolidinedione and PPAR GAMMA agonist that is used in the treatment of TYPE 2 DIABETES MELLITUS.. pioglitazone : A member of the class of thiazolidenediones that is 1,3-thiazolidine-2,4-dione substituted by a benzyl group at position 5 which in turn is substituted by a 2-(5-ethylpyridin-2-yl)ethoxy group at position 4 of the phenyl ring. It exhibits hypoglycemic activity.	2.08	1	aromatic ether; pyridines; thiazolidinediones	antidepressant; cardioprotective agent; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; geroprotector; hypoglycemic agent; insulin-sensitizing drug; PPARgamma agonist; xenobiotic
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one [no description available]	2.08	1	indoles
riluzole Riluzole: A glutamate antagonist (RECEPTORS, GLUTAMATE) used as an anticonvulsant (ANTICONVULSANTS) and to prolong the survival of patients with AMYOTROPHIC LATERAL SCLEROSIS.	2.08	1	benzothiazoles
sb 206553 SB 206553: a high-affinity 5-HT(2C/2B) antagonist; structure given in first source	2.08	1	pyrroloindole
sb 220025 SB 220025: inhibits p38 mitogen-activated protein kinase; structure in first source. SB220025 : Am member of the class of imidazoles carrying piperidin-4-yl, 4-fluophenyl and 2-aminopyrimidin-4-yl substituents at posiitons 1, 4 and 5 respectively.	2.08	1	aminopyrimidine; imidazoles; organofluorine compound; piperidines	angiogenesis inhibitor; anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sb 202190 4-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole: structure given in first source; inhibits p38 MAP kinase	2.08	1	imidazoles; organofluorine compound; phenols; pyridines	apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sk&f 86002 6-(4-fluorophenyl)-2,3-dihydro-5-(4-pyridinyl)imidazo(2,1-b)thiazole: inhibits p38 MAP kinase	2.08	1	imidazoles
imatinib [no description available]	3.66	2	aromatic amine; benzamides; N-methylpiperazine; pyridines; pyrimidines	antineoplastic agent; apoptosis inducer; tyrosine kinase inhibitor
vorinostat Vorinostat: A hydroxamic acid and anilide derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used in the treatment of CUTANEOUS T-CELL LYMPHOMA and SEZARY SYNDROME.. vorinostat : A dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and hydroxylamine. A histone deacetylase inhibitor, it is marketed under the name Zolinza for the treatment of cutaneous T cell lymphoma (CTCL).	2.08	1	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
sulfasalazine Sulfasalazine: A drug that is used in the management of inflammatory bowel diseases. Its activity is generally considered to lie in its metabolic breakdown product, 5-aminosalicylic acid (see MESALAMINE) released in the colon. (From Martindale, The Extra Pharmacopoeia, 30th ed, p907). sulfasalazine : An azobenzene consisting of diphenyldiazene having a carboxy substituent at the 4-position, a hydroxy substituent at the 3-position and a 2-pyridylaminosulphonyl substituent at the 4'-position.	2.08	1
2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine [no description available]	2.08	1	stilbenoid
troglitazone Troglitazone: A chroman and thiazolidinedione derivative that acts as a PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS (PPAR) agonist. It was formerly used in the treatment of TYPE 2 DIABETES MELLITUS, but has been withdrawn due to hepatotoxicity.	2.08	1	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
tyrphostin a9 [no description available]	3.51	1	alkylbenzene	geroprotector
penicillin g Penicillin G: A penicillin derivative commonly used in the form of its sodium or potassium salts in the treatment of a variety of infections. It is effective against most gram-positive bacteria and against gram-negative cocci. It has also been used as an experimental convulsant because of its actions on GAMMA-AMINOBUTYRIC ACID mediated synaptic transmission.. benzylpenicillin : A penicillin in which the substituent at position 6 of the penam ring is a phenylacetamido group.	2.06	1	penicillin allergen; penicillin	antibacterial drug; drug allergen; epitope
adenosine diphosphate Adenosine Diphosphate: Adenosine 5'-(trihydrogen diphosphate). An adenine nucleotide containing two phosphate groups esterified to the sugar moiety at the 5'-position.	2.15	1	adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite; human metabolite
adenosine monophosphate Adenosine Monophosphate: Adenine nucleotide containing one phosphate group esterified to the sugar moiety in the 2'-, 3'-, or 5'-position.	2.15	1	adenosine 5'-phosphate; purine ribonucleoside 5'-monophosphate	adenosine A1 receptor agonist; cofactor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.11 (fructose-bisphosphatase) inhibitor; fundamental metabolite; micronutrient; nutraceutical
methacrylaldehyde [no description available]	2.15	1	enal
3-buten-2-one buten-2-one : A methyl ketone that is butan-2-one with an unsaturation at position 3.	2.15	1	enone; methyl ketone
acrylamide [no description available]	2.15	1	acrylamides; N-acylammonia; primary carboxamide	alkylating agent; carcinogenic agent; Maillard reaction product; mutagen; neurotoxin
methylmethacrylate Methylmethacrylate: The methyl ester of methacrylic acid. It polymerizes easily to form POLYMETHYL METHACRYLATE. It is used as a bone cement.. methyl methacrylate : An enoate ester having methacrylic acid as the carboxylic acid component and methanol as the alcohol component.	2.15	1	enoate ester; methyl ester	allergen; polymerisation monomer
methyl acrylate [no description available]	2.15	1	enoate ester
acrolein [no description available]	2.15	1	enal	herbicide; human xenobiotic metabolite; toxin
pyrazolanthrone pyrazolanthrone: JNK (c-Jun N-terminal kinase) inhibitor; structure in first source. anthra[1,9-cd]pyrazol-6(2H)-one : A member of the class of anthrapyrazoles that is anthra[1,9-cd]pyrazole substituted at position 6 by an oxo group. An inhibitor of c-Jun N-terminal kinase.	3.51	1	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector
ethyl acrylate [no description available]	2.15	1	enoate ester
n-butyl acrylate butyl acrylate : An acrylate ester obtained by the formal condensation of the hydroxy group of butan-1-ol with the carboxy group of acrylic acid.	2.15	1	acrylate ester
mesityl oxide mesityl oxide: solvent for extraction of nitrocellulose, many resins, & tellurium; structure	2.15	1	olefinic compound
azacitidine Azacitidine: A pyrimidine analogue that inhibits DNA methyltransferase, impairing DNA methylation. It is also an antimetabolite of cytidine, incorporated primarily into RNA. Azacytidine has been used as an antineoplastic agent.. 5-azacytidine : An N-glycosyl-1,3,5-triazine that is 4-amino-1,3,5-triazin-2(1H)-one substituted by a beta-D-ribofuranosyl residue via an N-glycosidic linkage. An antineoplastic agent, it is used in the treatment of myeloid leukaemia.	2.08	1	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
podophyllotoxin Podophyllum: A genus of poisonous American herbs, family BERBERIDACEAE. The roots yield PODOPHYLLOTOXIN and other pharmacologically important agents. The plant was formerly used as a cholagogue and cathartic. It is different from the European mandrake, MANDRAGORA.	2.08	1	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
formestane [no description available]	2.08	1	17-oxo steroid; 3-oxo-Delta(4) steroid; enol; hydroxy steroid	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
ethyl propiolate ethyl propiolate : The ethyl ester of prop-2-ynoic acid.	2.15	1	ethyl ester; terminal acetylenic compound; ynoate ester
hydroxychloroquine sulfate [no description available]	2.08	1
cyclopentenone 2-cyclopenten-1-one : An enone that is cyclopentanone having a C=C double bond at position 2.	2.15	1	alicyclic ketone; enone	Hsp70 inducer
amiloride hydrochloride, anhydrous amiloride hydrochloride : A hydrochloride obtained by combining amiloride with one molar equivalent of hydrochloric acid.	2.08	1	hydrochloride	diuretic; sodium channel blocker
acadesine [no description available]	2.08	1	1-ribosylimidazolecarboxamide; aminoimidazole; nucleoside analogue	antineoplastic agent; platelet aggregation inhibitor
cladribine [no description available]	2.08	1	organochlorine compound; purine 2'-deoxyribonucleoside	antineoplastic agent; immunosuppressive agent
camptothecin NSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first source	2.06	1	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
zidovudine Zidovudine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by an azido group. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA during reverse transcription. It improves immunologic function, partially reverses the HIV-induced neurological dysfunction, and improves certain other clinical abnormalities associated with AIDS. Its principal toxic effect is dose-dependent suppression of bone marrow, resulting in anemia and leukopenia.. zidovudine : A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase.	2.08	1	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
lonidamine lonidamine: structure. lonidamine : A member of the class of indazoles that is 1H-indazole that is substituted at positions 1 and 3 by 2,4-dichlorobenzyl and carboxy groups, respectively.	2.08	1	dichlorobenzene; indazoles; monocarboxylic acid	antineoplastic agent; antispermatogenic agent; EC 2.7.1.1 (hexokinase) inhibitor; geroprotector
staurosporine [no description available]	2.53	2	indolocarbazole alkaloid; organic heterooctacyclic compound	apoptosis inducer; bacterial metabolite; EC 2.7.11.13 (protein kinase C) inhibitor; geroprotector
simvastatin Simvastatin: A derivative of LOVASTATIN and potent competitive inhibitor of 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It may also interfere with steroid hormone production. Due to the induction of hepatic LDL RECEPTORS, it increases breakdown of LDL CHOLESTEROL.. simvastatin : A member of the class of hexahydronaphthalenes that is lovastatin in which the 2-methylbutyrate ester moiety has been replaced by a 2,2-dimethylbutyrate ester group. It is used as a cholesterol-lowering and anti-cardiovascular disease drug.	2.08	1	delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic)	EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug
itraconazole Itraconazole: A triazole antifungal agent that inhibits cytochrome P-450-dependent enzymes required for ERGOSTEROL synthesis.. itraconazole : An N-arylpiperazine that is cis-ketoconazole in which the imidazol-1-yl group is replaced by a 1,2,4-triazol-1-yl group and in which the actyl group attached to the piperazine moiety is replaced by a p-[(+-)1-sec-butyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl group. A potent P-glycoprotein and CYP3A4 inhibitor, it is used as an antifungal drug for the treatment of various fungal infections, including aspergillosis, blastomycosis, candidiasis, chromoblastomycosis, coccidioidomycosis, cryptococcosis, histoplasmosis, and sporotrichosis.	2.08	1	aromatic ether; conazole antifungal drug; cyclic ketal; dichlorobenzene; dioxolane; N-arylpiperazine; triazole antifungal drug; triazoles	EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; Hedgehog signaling pathway inhibitor; P450 inhibitor
pravadoline [no description available]	2.08	1
zileuton [no description available]	2.08	1	1-benzothiophenes; ureas	anti-asthmatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor; leukotriene antagonist; non-steroidal anti-inflammatory drug
niguldipine [no description available]	2.08	1	diarylmethane
topotecan Topotecan: An antineoplastic agent used to treat ovarian cancer. It works by inhibiting DNA TOPOISOMERASES, TYPE I.. topotecan : A pyranoindolizinoquinoline used as an antineoplastic agent. It is a derivative of camptothecin and works by binding to the topoisomerase I-DNA complex and preventing religation of these 328 single strand breaks.	2.08	1	pyranoindolizinoquinoline	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor
eliprodil 1-(4-chlorophenyl)-2-[4-(4-fluorobenzyl)piperidin-1-yl]ethanol : A member of the class of piperidines that is piperidine substituted by a 2-(4-chlorophenyl)-2-hydroxyethyl group at position 1 and by a 4-fluorobenzyl group at position 4.	2.08	1	monochlorobenzenes; monofluorobenzenes; piperidines; secondary alcohol; tertiary amino compound
gemcitabine gemcitabine : A 2'-deoxycytidine having geminal fluoro substituents in the 2'-position. An inhibitor of ribonucleotide reductase, gemcitabine is used in the treatment of various carcinomas, particularly non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer.	2.08	1	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
adenosine quinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlit	2.15	1	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
3-methyl-2-butenal 3-methylbut-2-enal : An enal consisting of but-2-ene with a methyl substituent at position 3 and an oxo group at position 1.	2.15	1	enal	metabolite
verapamil hydrochloride verapamil hydrochloride : A racemate comprising equimolar amounts of dexverapamil hydrochloride and (S)-verapamil hydrochloride.	2.08	1
efavirenz efavirenz: HIV-1 reverse transcriptase inhibitor. efavirenz : 1,4-Dihydro-2H-3,1-benzoxazin-2-one substituted at the 4 position by cyclopropylethynyl and trifluoromethyl groups (S configuration) and at the 6 position by chlorine. A non-nucleoside reverse transcriptase inhibitor with activity against HIV, it is used with other antiretrovirals for combination therapy of HIV infection.	2.08	1	acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound	antiviral drug; HIV-1 reverse transcriptase inhibitor
taleranol taleranol: a metabolite of ZEARALENONE which is a non-steroidal estrogenic lactone used as an anabolic compound in animal feed; a stereoisomer of ZERANOL (alpha-zearalanol)	2.06	1	macrolide
bendamustine [no description available]	2.08	1	benzimidazoles
caroverine caroverine: structure	2.08	1	quinoxaline derivative
cgs 9343b [no description available]	2.08	1	benzimidazoles
telmisartan Telmisartan: A biphenyl compound and benzimidazole derivative that acts as an angiotensin II type 1 receptor antagonist. It is used in the management of HYPERTENSION.. telmisartan : A member of the class of benzimidazoles used widely in the treatment of hypertension.	2.08	1	benzimidazoles; biphenyls; carboxybiphenyl	angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic
2-methoxyestradiol 2-methoxy-17beta-estradiol : A 17beta-hydroxy steroid, being 17beta-estradiol methoxylated at C-2.	2.08	1	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
alpha-methylene gamma-butyrolactone alpha-methylene gamma-butyrolactone : A butan-4-olide having a methylene group at the 3-position.	2.15	1	butan-4-olide	anti-ulcer drug; gastrointestinal drug
alacepril [no description available]	2.08	1	dipeptide; thioacetate ester	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
ubenimex ubenimex: growth inhibitor	2.08	1
vinpocetine [no description available]	2.08	1
deguelin deguelin: a natural product from Mundulea sericea; RN refers to (7aS-cis)-isomer; structure given in first source. deguelin : A rotenone that is 13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one substituted by methoxy groups at positions 9 and 10, and by two methyl groups at position 3 (the 7aS,13aS-stereoisomer). It exists in abundant quantities in the bark, roots, and leaves of the Leguminosae family of plants and reported to exert anti-tumour effects in various cancers.	2.08	1	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
triptolide [no description available]	2.08	1	diterpenoid; epoxide; gamma-lactam; organic heteroheptacyclic compound	antispermatogenic agent; plant metabolite
Zearalanone [no description available]	2.06	1	macrolide; resorcinols
sr 48692 SR 48692: structure in first source; a neurotensin receptor-1 antagonist	2.08	1	N-acyl-amino acid
elacridar Elacridar: inhibitor of MDR1 PROTEIN; structure given in first source	2.08	1
gefitinib [no description available]	3.66	2	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
bay x 1005 2-(4-(quinolin-2-yl-methoxy)phenyl)-2-cyclopentylacetic acid: inhibits synthesis of leukotriene B4 and 5-hydroxyeicosatetraenoic acid; inhibits five-lipoxygenase activating protein(FLAP)and leukotriene A4 hydrolase(LTA4H); structure given in first source;	2.08	1
gyki 53655 GYKI 53655: an AMPA (alpha-amino-3-hydroxy-5-methylisoxazole-4-propionate) receptor antagonist	2.08	1
ml-3000 [no description available]	2.08	1
cd 437 CD 437: selective for retinoic acid receptors gamma. CD437 : A naphthoic acid that is 6-phenylnaphthylene-2-carboxyic acid in which the phenyl substituent has been substituted at positions 3 and 4 by adamant-1-yl and hydroxy groups, respectively. It acts as a selective agonist of retinoic acid receptor (RAR)gamma and induces cell cycle arrest and apoptosis in various cancer cells.	2.08	1	adamantanes; monocarboxylic acid; naphthoic acid; phenols	apoptosis inducer; retinoic acid receptor gamma agonist
docetaxel anhydrous Docetaxel: A semisynthetic analog of PACLITAXEL used in the treatment of locally advanced or metastatic BREAST NEOPLASMS and NON-SMALL CELL LUNG CANCER.. docetaxel anhydrous : A tetracyclic diterpenoid that is paclitaxel with the N-benzyloxycarbonyl group replaced by N-tert-butoxycarbonyl, and the acetoxy group at position 10 replaced by a hydroxy group.	2.08	1	secondary alpha-hydroxy ketone; tetracyclic diterpenoid	antimalarial; antineoplastic agent; photosensitizing agent
perifosine [no description available]	2.08	1	ammonium betaine; phospholipid	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
mk 767 5-((2,4-dioxo-5-thiazolidinyl)methyl)-2-methoxy-N-((4-(trifluoromethyl)phenyl)methyl)benzamide: an antihyperlipidemic agent that also functions as an insulin sensitizer, PPARalpha agonist, and PPARgamma agonist; structure in first source	2.08	1
bazedoxifene acetate [no description available]	2.08	1
canertinib [no description available]	3.58	2	monochlorobenzenes; morpholines; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor
birb 796 [no description available]	2.08	1	aromatic ether; morpholines; naphthalenes; pyrazoles; ureas	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; immunomodulator
tipifarnib [no description available]	2.08	1	imidazoles; monochlorobenzenes; primary amino compound; quinolone	antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor
cyc 202 seliciclib : 2,6-Diaminopurine carrying benzylamino, (2R)-1-hydroxybutan-2-yl and isopropyl substituents at C-6, C-2-N and N-9 respectively. It is an experimental drug candidate in the family of pharmacological cyclin-dependent kinase (CDK) inhibitors.	3.66	2	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
frenolicin b frenolicin B: produced by Streptomyces roseofulvus strain AM 3867; structure	3.17	1	benzoisochromanequinone; p-quinones	metabolite
sb 203580 [no description available]	3.66	2	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
enzastaurin [no description available]	2.08	1	indoles; maleimides
erlotinib [no description available]	3.66	2	aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound	antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor
piboserod Serotonin 5-HT4 Receptor Antagonists: Drugs that bind to but do not activate SEROTONIN 5-HT4 RECEPTORS, thereby blocking the actions of SEROTONIN or SEROTONIN RECEPTOR AGONISTS.	2.08	1
l 163191 [no description available]	2.08	1
bd 1047 N-(2-(3,4-Dichlorphenyl)ethyl)-N,N',N'-trimethyl-1,2-ethandiamin: sigma receptor ligand; putative sigma receptor antagonist with antidystonic activity	2.08	1	primary amine
lapatinib [no description available]	2.08	1	furans; organochlorine compound; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor
sorafenib [no description available]	3.95	3	(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
lenalidomide [no description available]	2.08	1	aromatic amine; dicarboximide; isoindoles; piperidones	angiogenesis inhibitor; antineoplastic agent; immunomodulator
N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide [no description available]	2.08	1	aminoquinoline
sr 142806 [no description available]	2.08	1
n-phenylacrylamide N-phenylacrylamide: structure in first source	2.15	1
elesclomol [no description available]	2.08	1	carbohydrazide; thiocarbonyl compound	antineoplastic agent; apoptosis inducer
wortmannin [no description available]	3.61	2	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
rocaglamide rocaglamide: RN refers to (1alpha,2alpha,3beta,3abeta,8bbeta)-isomer; isolated from stems of Aglaia elliptifolia; structure given in first source. rocaglamide : An organic heterotricyclic compound that is 2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan substituted by hydroxy groups at positions 1 and 8b, methoxy groups at positions 6 and 8, a 4-methoxyphenyl group at position 3a, a phenyl group at position 3 and a N,N-dimethylcarbamoyl group at position 1. Isolated from Aglaia odorata and Aglaia duperreana, it exhibits antineoplastic activity.	2.06	1	monocarboxylic acid amide; monomethoxybenzene; organic heterotricyclic compound	antileishmanial agent; antineoplastic agent; metabolite
nsc 663284 NSC 663284: structure in first source	2.08	1	quinolone
bortezomib [no description available]	2.08	1	amino acid amide; L-phenylalanine derivative; pyrazines	antineoplastic agent; antiprotozoal drug; protease inhibitor; proteasome inhibitor
bardoxolone methyl methyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate: structure in first source	2.08	1	cyclohexenones
nsc 23766 [no description available]	2.08	1	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
vernolepin [no description available]	2.15	1	delta-lactone
gw 3965 GW 3965: a liver X receptor ligand	2.08	1	diarylmethane
y 27632 Y 27632: RN given for di-HCl salt; inhibits Rho-associated protein kinase; inhibits calcium sensitization to affect smooth muscle relaxation; structure in first source. Y-27632 : A monocarboxylic acid amide that is trans-[(1R)-1-aminoethyl]cyclohexanecarboxamide in which one of the nitrogens of the aminocarbony group is substituted by a pyridine nucleus. It has been shown to exhibit inhibitory activity against Rho-associated protein kinase (ROCK) enzyme.	2.08	1	aromatic amide
6-bromoindirubin-3'-oxime 6-bromoindirubin-3'-oxime: structure in first source. 6-bromoindirubin-3'-oxime : A member of the class of biindoles that is indirubin substituted at position 6 by a bromo group and in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime.	2.08	1
purvalanol b purvalanol B: protein kinase inhibitor; structure in first source	2.08	1	purvalanol	protein kinase inhibitor
y-700 [no description available]	2.08	1
repsox RepSox: inhibits TGF-beta signaling; structure in first source appears to be incorrect	2.08	1	pyrazolopyridine
purvalanol a 6-((3-chloro)anilino)-2-(isopropyl-2-hydroxyethylamino)-9-isopropylpurine: purvalanol A is the (1R)-isomer;	2.06	1	purvalanol
4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-1-cyclohexanecarboxamide [no description available]	2.08	1	tropane alkaloid
cinnamaldehyde 3-phenylprop-2-enal : A member of the class of cinnamaldehydes that is prop-2-enal in which a hydrogen at position 3 has been replaced by a phenyl group. The configuration of the double bond is not specified; the name "cinnamaldehyde" is widely used to refer to the E (trans) isomer.. (E)-cinnamaldehyde : The E (trans) stereoisomer of cinnamaldehyde, the parent of the class of cinnamaldehydes.	2.15	1	3-phenylprop-2-enal; cinnamaldehydes	antifungal agent; EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor; flavouring agent; hypoglycemic agent; plant metabolite; sensitiser; vasodilator agent
chalcone trans-chalcone : The trans-isomer of chalcone.	2.15	1	chalcone	EC 3.2.1.1 (alpha-amylase) inhibitor
dibenzylidene acetone dibenzylidene acetone: structure in first source	2.15	1
s 1033 [no description available]	3.66	2	(trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
mercaptopurine Mercaptopurine: An antimetabolite antineoplastic agent with immunosuppressant properties. It interferes with nucleic acid synthesis by inhibiting purine metabolism and is used, usually in combination with other drugs, in the treatment of or in remission maintenance programs for leukemia.. purine-6-thiol : A thiol that is the tautomer of mercaptopurine.. mercaptopurine : A member of the class of purines that is 6,7-dihydro-1H-purine carrying a thione group at position 6. An adenine analogue, it is used in the treatment of acute lymphocytic leukemia (ALL), chronic myeloid leukemia (CML), Crohn's disease, and ulcerative colitis.	2.08	1	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent
rg108 RG108: DNA methyltransferase inhibitor; structure in first source	2.08	1	indolyl carboxylic acid
stf 083010 [no description available]	2.08	1
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide [no description available]	2.08	1	naphthalenecarboxamide
curcumin Curcumin: A yellow-orange dye obtained from tumeric, the powdered root of CURCUMA longa. It is used in the preparation of curcuma paper and the detection of boron. Curcumin appears to possess a spectrum of pharmacological properties, due primarily to its inhibitory effects on metabolic enzymes.. curcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa.	2.15	1	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
cct018159 CCT018159: structure in first source. CCT-018159 : A member of the class of pyrazoles that is 1H-pyrazole carrying 1,4-benzodioxane-6-yl and 5-ethyl-2,4-dihydroxyphenyl substituents at positions 4 and 5 respectively.	2.08	1	benzodioxine; pyrazoles; resorcinols	antineoplastic agent; apoptosis inducer; Hsp90 inhibitor
secinh3 SecinH3: a small molecule antagonist of cytohesins; structure in first source	2.08	1	triazoles
jk184 JK184: structure in first source	2.08	1
tamoxifen citrate [no description available]	2.08	1	citrate salt	angiogenesis inhibitor; anticoronaviral agent
hc-067047 HC-067047: a TRPA1 antagonist; structure in first source	2.08	1
bi-78d3 [no description available]	2.08	1	aryl sulfide
gsk 3787 [no description available]	2.08	1
methyl-thiohydantoin-tryptophan methyl-thiohydantoin-tryptophan: structure in first source	2.08	1	organonitrogen compound; organooxygen compound
2-[2-chloro-6-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid methyl ester [no description available]	2.08	1	monocarboxylic acid
4-(5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonamide [no description available]	2.08	1	sulfonamide
zeranol Zeranol: A non-steroidal estrogen analog.	2.06	1	macrolide
LSM-1318 [no description available]	2.08	1	oxa-steroid
u 0126 U 0126: protein kinase kinase inhibitor; structure in first source	3.51	1	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
rwj 67657 RWJ 67657: inhibits p38 mitogen-activated protein kinase; structure in first source	2.08	1
6-methyl-2-(phenylethynyl)pyridine 6-methyl-2-(phenylethynyl)pyridine: an mGlu5 antagonist. 2-methyl-6-(phenylethynyl)pyridine : A methylpyridine that coinsists of 2-methylp[yridine bearing an additional phenylethynyl group at position 6. Potent and highly selective non-competitive antagonist at the mGlu5 receptor subtype (IC50 = 36 nM) and a positive allosteric modulator at mGlu4 receptors. Centrally active following systemic administration in vivo. Reverses mechanical hyperalgesia in the inflamed rat hind paw.	2.08	1	acetylenic compound; methylpyridines	anxiolytic drug; metabotropic glutamate receptor antagonist
bms 387032 N-(5-(((5-(1,1-dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-4-piperidinecarboxamide: a CDK2 inhibitor with antineoplastic activity; structure in first source. N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of piperidine-4-carboxylic acid with the amino group of 5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-amine. It is an ATP-competitive inhibitor of CDK2, CDK7 and CDK9 kinases and exhibits anti-cancer properties.	2.08	1	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
tandutinib [no description available]	2.08	1	aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; piperidines; quinazolines; tertiary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
vx-745 [no description available]	2.08	1	aryl sulfide; dichlorobenzene; difluorobenzene; pyrimidopyridazine	anti-inflammatory drug; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
corlanor ivabradine hydrochloride : A hydrochloride obtained by combining ivabradine with one molar equivalent of hydrochloric acid. Used to treat patients with angina who have intolerance to beta blockers and/or heart failure.	2.08	1	hydrochloride	cardiotonic drug
dasatinib N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)-1,3-thiazole-5-carboxamide: a dasatinib prodrug; structure in first source. dasatinib (anhydrous) : An aminopyrimidine that is 2-methylpyrimidine which is substituted at position 4 by the primary amino group of 2-amino-1,3-thiazole-5-carboxylic acid and at position 6 by a 4-(2-hydroxyethyl)piperazin-1-yl group, and in which the carboxylic acid group has been formally condensed with 2-chloro-6-methylaniline to afford the corresponding amide. A multi-targeted kinase inhibitor, it is used, particularly as the monohydrate, for the treatment of chronic, accelerated, or myeloid or lymphoid blast phase chronic myeloid leukemia. Note that the name 'dasatinib' is used to refer to the monohydrate (USAN) as well as to anhydrous dasatinib (INN).	3.66	2	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
zd 6474 CH 331: structure in first source	3.66	2	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor
compound 968 compound 968: a glutaminase inhibitor. 5-[3-bromo-4-(dimethylamino)phenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one : A partially hydrogenated benzophenanthridine carrying an oxo group at C-4, geminal methyl groups at C-2 and a 3-bromo-4-(dimethylamino)phenyl group at C-5.	2.08	1	benzophenanthridine	EC 3.5.1.2 (glutaminase) inhibitor
sb-224289 SB 224289 : A member of the class of benzamides obtained by formal condensation of the carboxy group of 2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxylic acid with the secondary amino group of 1'-methyl-6,7-dihydro-5H-spiro[furo[2,3-f]indole-3,4'-piperidine]. Selective 5-HT1B receptor antagonist (pKi = 8.2). Displays >60-fold selectivity over 5-HT1D, 5-HT1A, 5-HT1E, 5-HT1F, 5-HT2A and 5-HT2C receptors in radioligand binding and functional assays. Centrally active following oral administration in vivo.	2.08	1	1,2,4-oxadiazole; azaspiro compound; benzamides; organic heterotetracyclic compound	serotonergic antagonist
gw 7647 GW 7647: a PPAR-alpha agonist; structure in first source. GW 7647 : A monocarboxylic acid that is 2-(phenylsulfanyl)isobutyric acid in which the phenyl group is substituted at the para- position by a 3-aza-7-cyclohexylhept-1-yl group in which the nitrogen is acylated by a (cyclohexylamino)carbonyl group.	2.08	1	aryl sulfide; monocarboxylic acid; ureas	PPARalpha agonist
l 663536 MK-886: orally active leukotriene biosynthesis inhibitor. 3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid : A member of the class of indoles that is 1H-indole substituted by a isopropyl group at position 5, a tert-butylsulfanediyl group at position 3, a 4-chlorobenzyl group at position 1 and a 2-carboxy-2-methylpropyl group at position 2. It acts as an inhibitor of arachidonate 5-lipoxygenase.	2.08	1	aryl sulfide; indoles; monocarboxylic acid; monochlorobenzenes	antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; leukotriene antagonist
1-[6-(4-chlorophenyl)-5-imidazo[2,1-b]thiazolyl]-N-[(3,4-dichlorophenyl)methoxy]methanimine [no description available]	2.08	1	imidazoles
N4-ethyl-N6,1,2-trimethyl-N4-phenylpyrimidin-1-ium-4,6-diamine [no description available]	2.08	1	aromatic amine; tertiary amino compound
2-[[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]propanoic acid ethyl ester [no description available]	2.08	1	isoquinolines
sch 79797 [no description available]	2.08	1	quinazolines
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide 4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1H-imidazol-2-yl)benzamide: a TGF-beta type I receptor kinase activity inhibitor	2.08	1	benzamides; benzodioxoles; imidazoles; pyridines	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
1-(4-Fluorophenyl)-3-(3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one [no description available]	2.08	1	monobactam
alsterpaullone alsterpaullone: structure in first source. alsterpaullone : An organic heterotetracyclic compound that is 1,3-dihydro-2H-1-benzazepin-2-one which shares its 4-5 bond with the 3-2 bond of 5-nitro-1H-indole.	3.51	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
imd 0354 N-(3,5-bis(trifluoromethyl)phenyl)-5-chloro-2-hydroxybenzamide: a cardioprotective agent that inhibits IkappaB kinase beta (IKKbeta); structure in first source	2.08	1	benzamides
ex 527 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide: structure in first source. 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide : A member of the class of carbazoles that is 2,3,4,9-tetrahydro-1H-carbazole which is substituted at position 1 by an aminocarbohyl group and at position 6 by a chlorine.	2.08	1	carbazoles; monocarboxylic acid amide; organochlorine compound
quercetin [no description available]	2.08	1	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
genistein [no description available]	3.66	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
zearalenone Zearalenone: (S-(E))-3,4,5,6,8,10-Hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione. One of a group of compounds known under the general designation of resorcylic acid lactones. Cis, trans, dextro and levo forms have been isolated from the fungus Gibberella zeae (formerly Fusarium graminearum). They have estrogenic activity, cause toxicity in livestock as feed contaminant, and have been used as anabolic or estrogen substitutes.. zearalenone : A macrolide comprising a fourteen-membered lactone fused to 1,3-dihydroxybenzene; a potent estrogenic metabolite produced by some Giberella species.	2.06	1	macrolide; resorcinols	fungal metabolite; mycoestrogen
2-octenal 2-octenal: RN given refers to cpd without isomeric designation. (E)-oct-2-enal : The (E)-isomer of oct-2-enal.. oct-2-enal : An enal consisting of oct-2-ene having an oxo group at the 1-position.	2.15	1	oct-2-enal	antifungal agent; volatile oil component
alvocidib alvocidib: structure given in first source. alvocidib : A synthetic dihydroxyflavone that is 5,7-dihydroxyflavone which is substituted by a 3-hydroxy-1-methylpiperidin-4-yl group at position 8 and by a chlorine at the 2' position (the (-)-3S,4R stereoisomer). A cyclin-dependent kinase 9 (CDK9) inhibitor, it has been studied for the treatment of acute myeloid leukaemia, arthritis and atherosclerotic plaque formation.	3.51	1	dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound	antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
fenretinide Fenretinide: A synthetic retinoid that is used orally as a chemopreventive against prostate cancer and in women at risk of developing contralateral breast cancer. It is also effective as an antineoplastic agent.. 4-hydroxyphenyl retinamide : A retinoid obtained by formal condensation of the carboxy group of all-trans retinoic acid and the anilino group of 4-hydroxyaniline. Synthetic retinoid agonist. Antiproliferative, antioxidant and anticancer agent with a long half-life in vivo. Apoptotic effects appear to be mediated by a mechanism distinct from that of 'classical' retinoids.	2.08	1	monocarboxylic acid amide; retinoid	antineoplastic agent; antioxidant
ter 199 [no description available]	2.08	1
arachidonylcyclopropylamide arachidonylcyclopropylamide: a potent and selective agonist of neuronal cannabinoid receptor; structure in first source	2.08	1
15-deoxy-delta(12,14)-prostaglandin j2 15-deoxy-delta(12,14)-prostaglandin J2: 15-deoxy-PGJ2 is also available; check for double bonds (indicated by delta) at 12 and 14 positions. 15-deoxy-Delta(12,14)-prostaglandin J2 : A prostaglandin J derivative comprising prostaglandin J2 lacking the 15-hydroxy group and having C=C double bonds at the 12- and 14-positions.	2.15	1	prostaglandins J	electrophilic reagent; insulin-sensitizing drug; metabolite
ly 320135 LY 320135: cannabinoid receptor antagonist; structure in first source	2.08	1	benzofurans
pd 166285 [no description available]	2.08	1
kn 62 KN 62: inhibitor of Ca/calmodulin-dependent protein kinase II	2.08	1	piperazines
su 6656 SU 6656: a c-Src kinase inhibitor; used to probe growth signaling; structure in first source. SU6656 : A member of the class of oxindoles that is 3-methyleneoxindole in which the hydrogeh at position 5 has been replaced by a dimethylaminosulfonyl group and in which one of the hydrogens of the methylene group has been replaced by a 4,5,6,7-tetrahydro-indol-2-yl group. It is a specific inhibitor of Src family kinase.	2.08	1
bosutinib 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile: a Src kinase inhibitor; structure in first source	3.51	1	aminoquinoline; aromatic ether; dichlorobenzene; N-methylpiperazine; nitrile; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor
semaxinib semaxanib : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is replaced by a 3,5-dimethylpyrrol-2-yl group.	2.08	1	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
su 11248 [no description available]	3.66	2	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
palbociclib [no description available]	3.66	2	aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
jnj-7706621 [no description available]	2.08	1	sulfonamide
2-pentenal 2-pentenal: RN given refers to cpd without isomeric designation. 2-pentenal : An enal consisting of pent-2-ene having an oxo group at the 1-position. (E)-2-pentenal : A 2-pentenal in which the double bond has (E)-configuration. It is found in cigarette smoke, virgin olive oil, and milk.	2.15	1	2-pentenal	plant metabolite
cisplatin [no description available]	2.08	1	diamminedichloroplatinum	antineoplastic agent; apoptosis inducer; cross-linking reagent; ferroptosis inducer; genotoxin; mutagen; nephrotoxin; photosensitizing agent
vx680 [no description available]	2.52	2	N-arylpiperazine
arglabin arglabin: a sesquiterpene lactone from the Chinese herb Artemisia myriantha; structure given in first source. arglabin : An organic heterotetracyclic compound and guaianolide sesquiterpene lactone that is acrylic acid which is substituted at position 2 by a 4-hydroxy-3,8-dimethyl-1,3a,4,5,6,7-hexahydroazulen-5-yl group in which the double bond in the 7-membered ring has been epoxidised and in which the hydroxy group and the carboxy group have undergone formal condensation to give the corresponding gamma-lactone. It is found in Artemisia glabella. Arglabin-DMA HCl, the hydrochloride salt of the adduct resulting from the conjugate addition of dimethylamine to the ene-lactone moiety, has been successfully used in Khazakhstan for the treatment of breast, colon, ovarian and lung cancers.	2.15	1	epoxide; gamma-lactone; organic heterotetracyclic compound; sesquiterpene lactone	antineoplastic agent; metabolite
d 4476 [no description available]	2.08	1	imidazoles
cyc 116 4-methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine: an aurora kinase inhibitor; structure in first source	2.08	1
bay 19-8004 BAY 19-8004: a PDE4 inhibitor; structure in first source	2.08	1
9-oxo-15-hydroxy-delta 7,10,13-prostatrienoic acid methyl ester [no description available]	2.15	1
axitinib [no description available]	2.08	1	aryl sulfide; benzamides; indazoles; pyridines	antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist
pai 039 tiplaxtinin: inhibitor of plasminogen activator inhibitor-1	2.08	1	indole-3-acetic acids
gw2974 GW2974: quinazoline derivative, which is able to block the activation of both the EGFR and erbB2	2.08	1	pyridopyrimidine
ispinesib [no description available]	2.08	1	benzamides
ci 940 leptomycin : A complex, very long chain, polyunsaturated fatty acid whose core structure comprises 8-oxononadeca-2,10,12,16,18-pentaenoic acid having methyl substituents at positions 3, 5, 7, 9, 11 and 15 and a 3,6-dihydropyran-6-one-2-yl group at position 19.	2.15	1	hydroxy polyunsaturated fatty acid; leptomycin	antifungal agent; bacterial metabolite
temsirolimus [no description available]	2.08	1	macrolide lactam
pd 184352 2-(2-chloro-4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide: inhibits MAP kinase kinase; structure in first source	3.66	2	aminobenzoic acid
bibx 1382bs BIBX 1382BS: an ErbB receptor kinase inhibitor; no further information available 4/2001	2.08	1	substituted aniline
hdac-42 HDAC-42: structure in first source	2.08	1	amidobenzoic acid
[4-[[4-(1-benzothiophen-2-yl)-2-pyrimidinyl]amino]phenyl]-[4-(1-pyrrolidinyl)-1-piperidinyl]methanone [no description available]	2.08	1	benzamides; N-acylpiperidine
vacuolin-1 vacuolin-1: inhibits Ca2-dependent lysosomal exocytosis	3.51	1
iniparib [no description available]	2.08	1	carbonyl compound; organohalogen compound
mk 0752 [no description available]	2.08	1
gw 501516 GW 501516: a selective PPARdelta agonist; structure in first source. GW 501516 : An aromatic ether that is phenoxyacetic acid in which the phenyl group is substituted at position 2 by a methyl group and at position 4 by a (1,3-thiazol-5-ylmethyl)sulfanediyl group, and in which the 1,3-thiazolyl group is substituted at positions 2 and 4 by p-trifluoromethylphenyl and methyl groups, respectively.	2.08	1	1,3-thiazoles; aromatic ether; aryl sulfide; monocarboxylic acid; organofluorine compound	carcinogenic agent; PPARbeta/delta agonist
av 412 [no description available]	2.08	1
ag-041r AG-041R: structure in first source	2.08	1
telatinib [no description available]	2.08	1
cp 547632 3-(4-bromo-2,6-difluorobenzyloxy)-5-(3-(4-pyrrolidin-1-ylbutyl)ureido)isothiazole-4-carboxylic acid amide: inhibits vascular endothelial growth factor receptor-2 tyrosine kinase; structure in first source	2.08	1
spc-839 SPC-839: an inhibitor of activator protein 1; structure in first source	2.08	1
lenvatinib lenvatinib : A member of the class of quinolines that is the carboxamide of 4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxylic acid. A multi-kinase inhibitor and orphan drug used (as its mesylate salt) for the treatment of various types of thyroid cancer that do not respond to radioiodine.	2.08	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
andarine [no description available]	2.08	1	acetamides; anilide
gw843682x [no description available]	2.08	1	(trifluoromethyl)benzenes
pd 0325901 mirdametinib: has antineoplastic activity; appears to be a MEK inhibitor. PD 0325901 : A hydroxamic acid ester that is benzhydroxamic acid (N-hydroxybenzamide) in which the hydroxamic acid group has been converted to the corresponding 2,3-dihydroxypropyl ester and in which the benzene ring has been substituted at position 2 by a (2-fluoro-4-iodophenyl)amino group and at positions 3 and 4 by fluorines (the R enantiomer).	2.08	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
midostaurin midostaurin : An organic heterooctacyclic compound that is the N-benzoyl derivative of staurosporine.	2.08	1	benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound	antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor
ag 14361 [no description available]	2.08	1	benzimidazoles
sb 265610 [no description available]	2.08	1
LL-Z1640-1 [no description available]	2.49	2	macrolide; resorcinols	metabolite
mocetinostat mocetinostat: undergoing phase II clinical trials for treatment of cancer. mocetinostat : A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC50 = 0.15, 0.29, 1.66 and 0.59 muM for HDAC1, HDAC2, HDAC3 and HDAC11).	2.08	1	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
osi 930 OSI 930: inhibits both receptor tyrosine kinase Kit and kinase insert domain receptor; structure in first source	2.08	1	aromatic amide
ki 20227 [no description available]	2.08	1
scio-469 SCIO-469: a small-molecule p38 mitogen-activated protein (MAP) kinase inhibitor for potential oral therapy for inflammatory disorders; in phase lib clinical trials for rheumatoid arthritis 4/2004. talmapimod : An indolecarboxamide obtained by formal condensation of the carboxy group of 6-chloro-3-[(dimethylamino)(oxo)acetyl]-1-methylindole-5-carboxylic acid with the secondary amino group of (2S,5R)-1-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine. It is a potent inhibitor of MAPK and exhibits anti-cancer properties.	2.08	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
ssr 69071 SSR 69071: structure in first source	2.08	1	pyridopyrimidine
pi103 PI103: pyridofuropyrimidine antineoplastic; a potent inhibitor of class I phosphatidylinositide 3-kinases (PI3K); structure in first soruce	2.08	1	aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
sb 210313 [no description available]	2.08	1
gw 4064 [no description available]	2.08	1	stilbenoid
sa 4503 [no description available]	2.08	1
ic 87114 IC 87114: structure in first source	2.08	1	6-aminopurines; biaryl; quinazolines	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
zibotentan ZD4054: a potent endothelin receptor A antagonist that inhibits ovarian carcinoma cell proliferation	2.08	1	phenylpyridine
tivozanib N-(2-chloro-4-((6,7-dimethoxy-4-quinolyl)oxy)phenyl)-N'-(5-methyl-3-isoxazolyl)urea: KNR-951 is the HCl, monohydrate salt; an antineoplastic agent; structure in first source	2.08	1	aromatic ether
hki 272 [no description available]	2.08	1	nitrile; quinolines	antineoplastic agent; tyrosine kinase inhibitor
tofacitinib tofacitinib : A pyrrolopyrimidine that is pyrrolo[2,3-d]pyrimidine substituted at position 4 by an N-methyl,N-(1-cyanoacetyl-4-methylpiperidin-3-yl)amino moiety. Used as its citrate salt to treat moderately to severely active rheumatoid arthritis.	2.08	1	N-acylpiperidine; nitrile; pyrrolopyrimidine; tertiary amino compound	antirheumatic drug; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
bibr 1532 [no description available]	2.08	1
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide [no description available]	2.08	1
hypothemycin hypothemycin: a resorcylic acid lactone antibiotic; antifungal metabolite from Hypomyces trichothecoides. hypothemycin : A macrolide that is isolated from the cultured broth of Hypomyces subiculosus and shows antifungal activity and inhibits the growth of some human cancer cells.	2.77	3	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
rucaparib AG14447: Poly(ADP-ribose) polymerase inhibitor; structure in first source	2.08	1	azepinoindole; caprolactams; organofluorine compound; secondary amino compound	antineoplastic agent; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
cediranib [no description available]	2.08	1	aromatic ether
gw0742 GW 610742: structure in first source	2.08	1	monocarboxylic acid
ps1145 PS1145: IkappaB kinase inhibitor; structure in first source	2.08	1	beta-carbolines
bay 41-8543 BAY 41-8543: structure in first source	2.08	1	pyrazolopyridine
chir 99021 Chir 99021: structure in first source. CHIR 99021 : A member of the class of aminopyrimidines that is 2-aminopyrimidine substituted at positions N2, 5 and 6 by (5-cyanopyridin-2-yl)ethyl, 4-methylimidazol-2-yl and 2,4-dichlorophenyl groups respectively.	2.08	1	aminopyridine; aminopyrimidine; cyanopyridine; diamine; dichlorobenzene; imidazoles; secondary amino compound	EC 2.7.11.26 (tau-protein kinase) inhibitor
ym 201636 6-amino-N-(3-(4-(4-morpholinyl)pyrido(3',2'-4,5)furo(3,2-d)pyrimidin-2-yl)phenyl)-3-pyridinecarboxamide: an antiviral agent; structure in first source	3.51	1	aromatic amide
sb 525334 6-(2-tert-butyl-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl)quinoxaline: a TGF-betaR kinase inhibitor	2.08	1	quinoxaline derivative
way-362450 [no description available]	2.08	1	indoles
masitinib [no description available]	2.08	1	1,3-thiazoles; benzamides; N-alkylpiperazine; pyridines	antineoplastic agent; antirheumatic drug; tyrosine kinase inhibitor
bx795 BX795: structure in first source	2.08	1	ureas
pazopanib pazopanib: a protein kinase inhibitor. pazopanib : A pyrimidine that is 5-(pyrimidin-2-yl}amino-2-methylbenzenesulfonamide substituted at position 4 by a (2,3-dimethylindazol-6-yl)(methyl)amino group. Used as its hydrochloride salt for treatment of kidney cancer.	2.08	1	aminopyrimidine; indazoles; sulfonamide	angiogenesis modulating agent; antineoplastic agent; tyrosine kinase inhibitor; vascular endothelial growth factor receptor antagonist
sepantronium sepantronium: a survivin suppressant with antineoplastic activity. sepantronium : An organic cation that is 1-(2-methoxyethyl)-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione in which the nitrogen at position 3 of the napthoimidazole moiety has been alkylated by a pyrazin-2-ylmethyl group.	2.08	1	organic cation
azd 6244 AZD 6244: a MEK inhibitor	3.95	3	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
1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea 1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea: structure in first source	2.08	1
apilimod [no description available]	3.51	1
bibw 2992 [no description available]	3.17	1	aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor
N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide : A member of the class of biphenyls that is the amide obtained by formal condensation of the carboxy group of 2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-4-carboxylic acid with the amino group of 3-cyanoaniline.	2.08	1	1,3,4-oxadiazoles; benzamides; biphenyls; nitrile	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
ar c155858 AR C155858: an MCT1 inhibitor; structure in first source	2.08	1
aee 788 AEE 788: structure in first source	2.08	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
saracatinib [no description available]	3.66	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
sd-208 [no description available]	2.08	1
vx 702 VX 702: a p38 MAP kinase inhibitor	2.08	1	phenylpyridine
volasertib BI 6727: a polo-like kinase inhibitor with broad antitumor activity; structure in first source	2.08	1
PB28 PB28 : A member of the class of tetralins that is tetralin that is substituted by 3-(4-cyclohexylpiperazin-1-yl)propyl and methoxy groups at positions 1 and 5, respectively. It is a sigma 2 (sigma2) receptor agonist (Ki = 0.68 nM) and exhibits antineoplastic and anti SARS-CoV-2 activities.	2.08	1	aromatic ether; piperazines; tetralins	anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist
l 783277 [no description available]	2.47	2
pyrrocidine a pyrrocidine A: an antifungal antibiotic isolated from Acremonium zeae; structure in first souce	2.15	1
azd 7762 [no description available]	2.08	1	aromatic amide; thiophenes
krp-203 [no description available]	2.08	1
mk 0354 [no description available]	2.08	1
regorafenib [no description available]	2.08	1	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide	antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor
acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl ester [no description available]	2.08	1	pyrroloquinoline
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one [no description available]	2.08	1	methoxybenzenes; substituted aniline
brivanib [no description available]	2.08	1	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
icg 001 [no description available]	2.08	1	peptide
mp470 [no description available]	2.08	1	N-arylpiperazine
nu 7441 8-dibenzothiophen-4-yl-2-morpholin-4-yl-chromen-4-one: structure in first source	2.08	1	dibenzothiophenes
at 7519 4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-pyrazole-3-carboxamide : A member of the class of pryrazoles that is 4-amino-1H-pyrazole-3-carboxylic acid in which the primary amino group has been acylated by a 2,6-dichlorobenzoyl group and in which the carboxylic acid has been converted into a carboxamide by formal condensation with the primary amino group of 4-aminopiperidine.	2.08	1	dichlorobenzene; piperidines; pyrazoles; secondary carboxamide	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
bi 2536 [no description available]	2.08	1
danusertib [no description available]	2.08	1	piperazines
N-[4-(2-tert-butylphenyl)sulfonylphenyl]-2,3,4-trihydroxy-5-[(2-propan-2-ylphenyl)methyl]benzamide [no description available]	2.08	1	benzamides
N-[5-[[5-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamide [no description available]	2.08	1	benzamides
abt 869 [no description available]	2.08	1	aromatic amine; indazoles; phenylureas	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
pf 00299804 dacomitinib: a pan-ERBB inhibitor. dacomitinib : A member of the class of quinazolines that is 7-methoxyquinazoline-4,6-diamine in which the amino group at position 4 is substituted by a 3-chloro-4-fluorophenyl group and the amino group at position 6 is substituted by an (E)-4-(piperidin-1-yl)but-2-enoyl group.	3.17	1	enamide; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
dorsomorphin dorsomorphin: an AMPK inhibitor. dorsomorphin : A pyrazolopyrimidine that is pyrazolo[1,5-a]pyrimidine which is substituted at positions 3 and 6 by pyridin-4-yl and p-[2-(piperidin-1-yl)ethoxy]phenyl groups, respectively. It is a potent, selective, reversible, and ATP-competitive inhibitor of AMPK (AMP-activated protein kinase, EC 2.7.11.31) and a selective inhibitor of bone morphogenetic protein (BMP) signaling.	3.66	2	aromatic ether; piperidines; pyrazolopyrimidine; pyridines	bone morphogenetic protein receptor antagonist; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor
ac 261066 [no description available]	2.08	1
carfilzomib [no description available]	2.08	1	epoxide; morpholines; tetrapeptide	antineoplastic agent; proteasome inhibitor
gw9508 GW9508: structure in first source	2.08	1	aromatic amine
jnj 26854165 [no description available]	2.08	1
pf 573228 6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluoromethyl)pyrimidin-2-ylamino)-3,4-dihydroquinolin-2(1H)-one: structure in first source	2.08	1	quinolines
gw 2580 5-(3-methoxy-4-((4-methoxybenzyl)oxy)benzyl)pyrimidine-2,4-diamine: a cFMS kinase inhibitor; structure in first source	2.08	1
idelalisib idelalisib: an antineoplastic agent and p110delta inhibitor; structure in first source. idelalisib : A member of the class of quinazolines that is 5-fluoro-3-phenylquinazolin-4-one in which the hydrogen at position 2 is replaced by a (1S)-1-(3H-purin-6-ylamino)propyl group. used for for the treatment of refractory indolent non-Hodgkin's lymphoma and relapsed chronic lymphocytic leukemia.	2.08	1	aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
crizotinib Crizotinib: A piperidine and aminopyridine derivative that acts as an inhibitor of RECEPTOR PROTEIN-TYROSINE KINASES, including ANAPLASTIC LYMPHOMA KINASE (ALK) and HEPATOCYTE GROWTH FACTOR RECEPTOR (HGFR; c-Met). It is used in the treatment of NON-SMALL CELL LUNG CANCER.. crizotinib : A 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine that has R configuration at the chiral centre. The active enantiomer, it acts as a kinase inhibitor and is used for the treatment of patients with locally advanced or metastatic non-small cell lung cancer (NSCLC)	2.08	1	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
5-(5,6-dimethoxy-1-benzimidazolyl)-3-[(2-methylsulfonylphenyl)methoxy]-2-thiophenecarbonitrile [no description available]	2.08	1	benzimidazoles
4-[2-(2-chloro-4-fluoroanilino)-5-methyl-4-pyrimidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide Vx-11e: ERK1-2 inhibitor	2.08	1	aromatic amide; heteroarene
osi 906 [no description available]	2.08	1	cyclobutanes; quinolines
ly2109761 [no description available]	2.08	1
chir-265 [no description available]	2.08	1	aromatic ether
motesanib [no description available]	2.08	1	pyridinecarboxamide
az-628 AZ-628: a multikinase inhibitor; structure in first source	2.08	1	benzamides
trametinib [no description available]	3.66	2	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
pf-562,271 [no description available]	2.08	1	indoles
silvestrol silvestrol: isolated from the fruit and twig of Aglaia silvestris. silvestrol : An organic heterotricyclic compound that consists of a 2,3,3a,8b-tetrahydro-H-benzo[b]cyclopenta[d]furan framework substituted by hydroxy groups at positions C-1 and C-8b, a methoxycarbonyl group at C-2, a phenyl group at C-3, a 4-methoxyphenyl group at C-3a, a methoxy group at C-8 and a 1,4-dioxan-2-yloxy group at position C-6 which in turn is substituted by a methoxy group at position 3 and a 1,2-dihydroxyethyl group at position 6. Isolated from Aglaia silvestris, it exhibits antineoplastic activity.	2.06	1	dioxanes; ether; methyl ester; organic heterotricyclic compound	antineoplastic agent; metabolite
veliparib [no description available]	2.08	1	benzimidazoles	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
ku-0060648 [no description available]	2.08	1	dibenzothiophenes
dactolisib dactolisib: antineoplastic agent that inhibits both phosphatidylinositol 3-kinase and mTOR. dactolisib : An imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 4-(1-cyanoisopropyl)phenyl group and at position 8 by a quinolin-3-yl group. A dual PI3K/mTOR inhibitor used in cancer treatment.	2.52	2	imidazoquinoline; nitrile; quinolines; ring assembly; ureas	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
palomid 529 [no description available]	2.08	1
tosedostat [no description available]	2.08	1	carboxylic ester; hydroxamic acid; secondary carboxamide
3-(4-chlorophenyl)-adamantane-1-carboxylic acid (pyridin-4-ylmethyl)amide [no description available]	3.51	1	organochlorine compound
mdv 3100 [no description available]	2.08	1	(trifluoromethyl)benzenes; benzamides; imidazolidinone; monofluorobenzenes; nitrile; thiocarbonyl compound	androgen antagonist; antineoplastic agent
ku 60019 [no description available]	2.08	1
gsk 461364 GSK 461364: an antineoplastic agent that inhibits polo-like kinase 1	2.08	1	(trifluoromethyl)benzenes
n-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide: a MEK inhibitor; structure in first source	2.08	1
nvp-tae684 [no description available]	2.08	1	piperidines
4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-n-(3-(trifluoromethyl)phenyl)benzamide 4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide: structure in first source	2.08	1
gsk 269962a [no description available]	2.08	1
a-83-01 A-83-01: an ALK-5 inhibitor; structure in first source	2.08	1
3-[(1-methyl-3-indolyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one [no description available]	2.08	1	indoles
vx-770 ivacaftor: a CFTR potentiator; structure in first source. ivacaftor : An aromatic amide obtained by formal condensation of the carboxy group of 4-oxo-1,4-dihydroquinoline-3-carboxylic acid with the amino group of 5-amino-2,4-di-tert-butylphenol. Used for the treatment of cystic fibrosis.	2.08	1	aromatic amide; monocarboxylic acid amide; phenols; quinolone	CFTR potentiator; orphan drug
buparlisib NVP-BKM120: a pan class I PI3 kinase inhibitor with antineoplastic activity; structure in first source	2.08	1	aminopyridine; aminopyrimidine; morpholines; organofluorine compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
azd 1480 [no description available]	2.08	1
fedratinib fedratinib: a selective small-molecule inhibitor of JAK2	2.08	1	sulfonamide
gsk690693 [no description available]	2.08	1	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
cnf 2024 [no description available]	2.08	1	2-aminopurines; aromatic ether; organochlorine compound; pyridines	antineoplastic agent; Hsp90 inhibitor
ku 0063794 Ku 0063794: an mTOR inhibitor; structure in first source	2.08	1	benzyl alcohols; monomethoxybenzene; morpholines; pyridopyrimidine; tertiary amino compound	antineoplastic agent; mTOR inhibitor
azd 7545 AZD 7545: an anilide tertiary carbinol; a pyruvate dehydrogenase kinase 2 inhibitor. AZD7545 : A sulfone that is benzene substituted by [4-(dimethylcarbamoyl)phenyl]sulfonyl, chloro and [(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino groups at positions 1, 3 and 4, respectively. It is a potent and non-ATP-competitive inhibitor of pyruvate dehydrogenase kinase 2 (PDHK2) with IC50 of 6.4 nM and exhibits glucose-lowering activity. Also inhibits PDHK1 at higher levels (IC50 = 36.8 nM).	2.08	1	benzamides; monochlorobenzenes; organofluorine compound; secondary carboxamide; sulfone; tertiary alcohol; tertiary carboxamide	EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor; hypoglycemic agent
nutlin-3b [no description available]	2.08	1	Nutlin; piperazinone	anticoronaviral agent
pf 04217903 [no description available]	2.08	1	quinolines
gdc 0941 pictrelisib : A sulfonamide composed of indazole, morpholine, and methylsulfonyl-substituted piperazine rings bound to a thienopyrimidine ring.	2.08	1	indazoles; morpholines; piperazines; sulfonamide; thienopyrimidine	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
sm 164 SM 164: a bivalent Smac mimetic with antineoplastic activity; structure in first source	2.08	1	benzenes; organic heterobicyclic compound; secondary carboxamide; triazoles	antineoplastic agent; apoptosis inducer; radiosensitizing agent
ph 797804 PH 797804: an NSAID; structure in first source. PH 797804 : A member of the class of benzamides obtained by formal condensation of the carboxy group of 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1-yl}-4-methylbenzoic acid with the amino group of methylamine.	2.08	1	aromatic ether; benzamides; organobromine compound; organofluorine compound; pyridone	anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
pha 408 PHA 408: an IKK-2 antagonist; structure in first source	2.08	1
gsk 1016790a GSK1016790A : A tertiary carboxamide that is piperazine in which one of the amino groups has undergone condensation with the carboxy group of N-[(2,4-dichlorophenyl)sulfonyl]-L-serine, while the other has undergone condensation with the carboxy group of N-(1-benzothiophen-2-ylcarbonyl)-L-leucine. It is a cell-permeable, potent and selective agonist of the TRPV4 (transient receptor potential vanilloid 4) channel.	2.08	1	1-benzothiophenes; aromatic primary alcohol; dichlorobenzene; N-acylpiperazine; sulfonamide; tertiary carboxamide	TRPV4 agonist
olaparib [no description available]	2.08	1	cyclopropanes; monofluorobenzenes; N-acylpiperazine; phthalazines	antineoplastic agent; apoptosis inducer; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
srt1720 [no description available]	2.08	1
plx 4720 PLX 4720: a B-Raf(V600E) kinase inhibitor; structure in first source	2.08	1	aromatic ketone; difluorobenzene; organochlorine compound; pyrrolopyridine; sulfonamide	antineoplastic agent; B-Raf inhibitor
cx 4945 [no description available]	2.08	1
cudc 101 7-(4-(3-ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide: a histone deacetylase inhibitor; structure in first source	2.08	1
mln 8237 MLN 8237: an aurora kinase A inhibitor	2.08	1	benzazepine
lde225 sonidegib: specific Smoothened/Smo antagonist. sonidegib : A member of the classo of biphenyls that is the amide obtained by formal condensation of the carboxy group of 2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxylic acid with the amino group of 6-(2,6-dimethylmorpholin-4-yl)pyridin-3-amine. Used (as its phosphate salt) for treatment of locally advanced basal cell carcinoma.	2.08	1	aminopyridine; aromatic ether; benzamides; biphenyls; morpholines; organofluorine compound; tertiary amino compound	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist
gdc 0449 HhAntag691: inhibits the hedgehog pathway and ABC transporters; has antineoplastic activity	2.08	1	benzamides; monochlorobenzenes; pyridines; sulfone	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist; teratogenic agent
sgx 523 [no description available]	2.08	1	aryl sulfide; biaryl; pyrazoles; quinolines; triazolopyridazine	c-Met tyrosine kinase inhibitor; nephrotoxic agent
bms 777607 N-(4-(2-amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide: a Met kinase inhibitor; structure in first source	2.08	1	aromatic amide
sgi 1776 SGI 1776: a Pim kinase inhibitor; structure in first source	2.08	1	imidazoles
pci 32765 ibrutinib: a Btk protein inhibitor. ibrutinib : A member of the class of acrylamides that is (3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine in which the piperidine nitrogen is replaced by an acryloyl group. A selective and covalent inhibitor of the enzyme Bruton's tyrosine kinase, it is used for treatment of B-cell malignancies.	3.58	2	acrylamides; aromatic amine; aromatic ether; N-acylpiperidine; pyrazolopyrimidine; tertiary carboxamide	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
ponatinib [no description available]	3.66	2	(trifluoromethyl)benzenes; acetylenic compound; benzamides; imidazopyridazine; N-methylpiperazine	antineoplastic agent; tyrosine kinase inhibitor
amg 900 N-(4-((3-(2-amino-4-pyrimidinyl)-2-pyridinyl)oxy)phenyl)-4-(4-methyl-2-thienyl)-1-phthalazinamine: a pan-aurora kinase inhibitor; structure in first source	2.08	1
mk-1775 adavosertib: a Wee1 kinase inhibitor; structure in first source	2.08	1	piperazines
bag956 BAG956: an imidazo[4,5-c]quinoline; dual PI3K/PDK-1 inhibitor, used in antileukemic therapies	2.08	1
quizartinib [no description available]	2.08	1	benzoimidazothiazole; isoxazoles; morpholines; phenylureas	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; necroptosis inhibitor
N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl ester CAY10603: a HDAC6 inhibitor	2.08	1	carbamate ester
tak 733 [no description available]	2.08	1
mk 2206 MK 2206: a protein kinase inhibitor and antineoplastic agent	2.08	1	organic heterotricyclic compound	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
navitoclax [no description available]	2.08	1	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
sns 314 SNS 314: an aurora kinase inhibitor; structure in first source	2.08	1	ureas
jzl 184 JZL 184: inhibits monoacylglycerol lipase; structure in first source	2.08	1	benzodioxoles
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide N-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide: a Janus kinase 1 and Janus kinase 2 inhibitor; structure in first source. momelotinib : A benzamide obtained by formal condensation of the carboxy group of 4-{2-[4-(morpholin-4-yl)anilino]pyrimidin-4-yl}benzoic acid with the primary amino group of aminoacetonitrile. It is an ATP-competitive JAK1/JAK2 inhibitor with IC50 of 11 nM and 18 nM, respectively. Used for the treatment of patients with intermediate- or high-risk myelofibrosis.	2.08	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
dcc-2036 rebastinib: an inhibitor of Tie2 tyrosine kinase receptor and antineoplastic agent	2.08	1	organofluorine compound; phenylureas; pyrazoles; pyridinecarboxamide; quinolines	tyrosine kinase inhibitor
cabozantinib cabozantinib: a multikinase inhibitor. cabozantinib : A dicarboxylic acid diamide that is N-phenyl-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide in which the hydrogen at position 4 on the phenyl ring is substituted by a (6,7-dimethoxyquinolin-4-yl)oxy group. A multi-tyrosine kinase inhibitor, used (as its malate salt) for the treatment of progressive, metastatic, medullary thyroid cancer.	2.08	1	aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines	antineoplastic agent; tyrosine kinase inhibitor
N-(2,6-difluorophenyl)-5-[3-[2-[5-ethyl-2-methoxy-4-[4-(4-methylsulfonyl-1-piperazinyl)-1-piperidinyl]anilino]-4-pyrimidinyl]-2-imidazo[1,2-a]pyridinyl]-2-methoxybenzamide [no description available]	2.08	1	benzamides
incb-018424 [no description available]	2.52	2	nitrile; pyrazoles; pyrrolopyrimidine	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
bix 01294 [no description available]	2.08	1	piperidines
pf 3845 PF 3845: inhibits fatty acid amide hydrolase	2.08	1	piperidines
gsk 2126458 omipalisib: inhibitor of mTOR protein. omipalisib : A member of the class of quinolines that is quinoline which is substituted by pyridazin-4-yl and 5-[(2,4-difluorobenzene-1-sulfonyl)amino]-6-methoxypyridin-3-yl groups at positions 4 and 6, respectively. It is a highly potent inhibitor of PI3K and mTOR developed by GlaxoSmithKline and was previously in human phase 1 clinical trials for the treatment of idiopathic pulmonary fibrosis and solid tumors.	2.08	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
ixazomib ixazomib: a proteasome inhibitor with antineoplastic activity; MLN2238 is the biologically active form of MLN9708; structure in first source. ixazomib : A glycine derivative that is the amide obtained by formal condensation of the carboxy group of N-(2,5-dichlorobenzoyl)glycine with the amino group of [(1R)-1-amino-3-methylbutyl]boronic acid. The active metabolite of ixazomib citrate, it is used in combination therapy for treatment of multiple myeloma.	2.08	1	benzamides; boronic acids; dichlorobenzene; glycine derivative	antineoplastic agent; apoptosis inducer; drug metabolite; orphan drug; proteasome inhibitor
fit-039 FIT-039: CDK9 inhibitor; structure in first source	3.51	1
ldn 193189 LDN 193189: inhibits bone morphogenetic protein signaling	2.08	1	pyrimidines
plx4032 [no description available]	2.08	1	aromatic ketone; difluorobenzene; monochlorobenzenes; pyrrolopyridine; sulfonamide	antineoplastic agent; B-Raf inhibitor
(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yloxy)-9-[(4-phenylphenyl)methyl]-6-purinyl]amino]-3-phenyl-1-propanol [no description available]	2.08	1	biphenyls
gsk 1363089 GSK 1363089: a multikinase inhibitor that acts on Met, RON, Axl, and VEGFR; structure in first source	2.08	1	aromatic ether
kin-193 [no description available]	2.08	1	pyridopyrimidine
bay 869766 [no description available]	2.08	1
baricitinib [no description available]	3.51	1	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
4-[6-[4-(methoxycarbonylamino)phenyl]-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid methyl ester WYE-354: an mTOR inhibitor; structure in first source	2.08	1	carbamate ester
6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone ML-265: a small molecule activator of PKM2	2.08	1	organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]aniline [no description available]	2.08	1	benzenes; sulfonamide
cp 466722 [no description available]	2.08	1	quinazolines
CAY10626 [no description available]	2.08	1	ureas
thiopental sodium [no description available]	3.58	2	organochlorine compound; piperazines; pyrimidines	antineoplastic agent; tyrosine kinase inhibitor
pha 793887 [no description available]	2.08	1	piperidinecarboxamide
abemaciclib [no description available]	3.51	1
nvp-bsk805 [no description available]	2.08	1
xmd 8-92 XMD8-92 : A dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one carrying at C-2 on the pyrimidine ring a [2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino substituent. It is an inhibitor of the BMK1 kinase pathway.	2.08	1	pyrimidobenzodiazepine	protein kinase inhibitor
jq1 compound [no description available]	2.08	1	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
jnj38877605 [no description available]	2.08	1	quinolines
N-[3-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl]acetamide [no description available]	2.08	1	benzothiazoles
dinaciclib [no description available]	3.51	1	pyrazolopyrimidine
torin 1 torin 1 : A member of the class of pyridoquinolines that is 9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2-one bearing an additional 4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl substituent at position 1. It is a potent inhibitor of mTOR and exhibits anti-cancer properties.	2.08	1	N-acylpiperazine; N-arylpiperazine; organofluorine compound; pyridoquinoline; quinolines	antineoplastic agent; mTOR inhibitor
ly2940680 [no description available]	2.08	1
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea [no description available]	2.08	1	ureas
ro 4929097 [no description available]	2.08	1	dibenzoazepine; dicarboxylic acid diamide; lactam; organofluorine compound	EC 3.4.23.46 (memapsin 2) inhibitor
gsk4112 GSK4112: a Rev-erbalpha agonist; structure in first source	2.08	1
torin 2 torin 2 : A member of the class of pyridoquinolines that is benzo[h][1,6]naphthyridin-2-one carrying additional 3-(trifluoromethyl)phenyl and 6-aminopyridin-3-yl substituents at positions 1 and 9 respectively. It is a potent inhibitor of mTOR and exhibits anti-cancer properties.	2.08	1	aminopyridine; organofluorine compound; primary amino compound; pyridoquinoline	antineoplastic agent; mTOR inhibitor
pf-4708671 [no description available]	2.08	1
N-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide [no description available]	2.08	1	benzamides; N-acylpiperidine
2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide 2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide : A member of the class of quinazolines that is quinazoline substituted by {3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino and 3-(2-methoxyacetamido)prop-1-en-1-yl groups at positions 4 and 6, respectively.	2.08	1	aromatic ether; methylpyridines; olefinic compound; quinazolines; secondary amino compound; secondary carboxamide; toluenes
belinostat [no description available]	2.08	1	olefinic compound
ethyl 1-benzyl-3-hydroxy-2(5h)-oxopyrrole-4-carboxylate ethyl 1-benzyl-3-hydroxy-2(5H)-oxopyrrole-4-carboxylate: RN & structure given in first source	2.08	1	carboxylic acid; pyrroline
a 769662 [no description available]	2.08	1	biphenyls
LimKi 3 LIMKi3: LIMK inhibitor. LimKi 3 : A member of the class of pyrazoles that is 1-(2,6-dichlorophenyl)-1H-pyrazole which is substituted by a difluoromethyl group at position 3 and by a 2-(isobutyrylamino)-1,3-thiazol-5-yl group at position 5. It is a a potent cell-permeable inhibitor of LIM kinase 1 and 2.	2.08	1	1,3-thiazoles; dichlorobenzene; organofluorine compound; pyrazoles; secondary carboxamide	LIM kinase inhibitor
1-[4-amino-7-[3-(2-methoxyethylamino)propyl]-5-(4-methylphenyl)-6-pyrrolo[2,3-d]pyrimidinyl]-2-fluoroethanone [no description available]	2.08	1	pyrroles
rociletinib rociletinib: inhibits epidermal growth factor receptor tyrosine kinase activity; structure in first source	2.15	1
2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxy-2-pyrrolylidene]indole [no description available]	2.08	1	dipyrrins
N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-2-propenamide [no description available]	2.08	1	tryptamines
3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-(phenylmethylene)piperazine-2,5-dione [no description available]	2.08	1	pyrazines
gsk837149a GSK837149A: structure in first source	2.08	1
N-[4-(3-chloro-4-fluoroanilino)-7-[[(3S)-3-oxolanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide [no description available]	2.08	1	quinazolines
N-[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide [no description available]	2.08	1	quinazolines
wnt-c59 2-(4-(2-methylpyridin-4-yl)phenyl)-N-(4-(pyridin-3-yl)phenyl)acetamide: a PORCN acyltransferase inhibitor; structure in first source	2.08	1
5-[1-(2-hydroxyethyl)-3-pyridin-4-yl-4-pyrazolyl]-2,3-dihydroinden-1-one oxime [no description available]	2.08	1	indanes
vx-970 berzosertib: an ATR kinase inhibitor	3.51	1	sulfonamide
osimertinib osimertinib: an EGFR tyrosine kinase inhibitor. osimertinib : A member of the class of aminopyrimidines that is 4-(1-methylindol-3-yl)pyrimidin-2-amine in which one of the amino hydrogens is replaced by a 2-methoxy-4-[2-(dimethylamino)ethyl](methyl)amino-5-acrylamidophenyl group. Used (as the mesylate salt) for treatment of EGFR T790M mutation positive non-small cell lung cancer.	2.15	1	acrylamides; aminopyrimidine; biaryl; indoles; monomethoxybenzene; secondary amino compound; secondary carboxamide; substituted aniline; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
chir 258 [no description available]	2.08	1
osi 027 OSI 027: inhibits both mTORC1 and mTORC2; structure in first source	2.08	1
hli 373 [no description available]	2.08	1
pemetrexed pemetrexed disodium : An organic sodium salt that is the disodium salt of N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid. Inhibits thymidylate synthase (TS), 421 dihydrofolate reductase (DHFR), and glycinamide ribonucleotide formyltransferase (GARFT).	2.08	1	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
sildenafil citrate Sildenafil Citrate: A PHOSPHODIESTERASE TYPE-5 INHIBITOR; VASODILATOR AGENT and UROLOGICAL AGENT that is used in the treatment of ERECTILE DYSFUNCTION and PRIMARY PULMONARY HYPERTENSION.. sildenafil citrate : The citrate salt of sildenafil.	2.08	1	citrate salt	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
aprepitant Aprepitant: A morpholine neurokinin-1 (NK1) receptor antagonist that is used in the management of nausea and vomiting caused by DRUG THERAPY, and for the prevention of POSTOPERATIVE NAUSEA AND VOMITING.. aprepitant : A morpholine-based antiemetic, which is or the prevention of acute and delayed nausea and vomiting associated with initial and repeat courses of highly emetogenic cancer chemotherapy. Aprepitant is a selective high-affinity antagonist of human substance P/neurokinin 1 (NK1) receptors.	2.08	1	(trifluoromethyl)benzenes; cyclic acetal; morpholines; triazoles	antidepressant; antiemetic; neurokinin-1 receptor antagonist; peripheral nervous system drug; substance P receptor antagonist
xav939 XAV939: selectively inhibits beta-catenin-mediated transcription; structure in first source. XAV939 : A thiopyranopyrimidine in which a 7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine skeleton is substituted at C-4 by a hydroxy group and at C-2 by a para-(trifluoromethyl)phenyl group.	2.08	1	(trifluoromethyl)benzenes; thiopyranopyrimidine	tankyrase inhibitor
ag-879 AG-879: structure given in first source	3.51	1
2-carboxyarabinitol 1-phosphate [no description available]	2.08	1
nintedanib nintedanib : A member of the class of oxindoles that is a kinase inhibitor used (in the form of its ethylsulfonate salt) for the treatment of idiopathic pulmonary fibrosis and cancer.	3.66	2
ver 52296 luminespib : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-(2,4-dihydroxy-5-isopropylphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxylic acid with the amino group of ethylamine.	2.08	1	aromatic amide; isoxazoles; monocarboxylic acid amide; morpholines; resorcinols	angiogenesis inhibitor; antineoplastic agent; Hsp90 inhibitor
sb-590885 N-{5-[2-{4-[2-(dimethylamino)ethoxy]phenyl}-4-(pyridin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-inden-1-ylidene}hydroxylamine : A ketoxime that is the oxime of indan-1-one in which the hydrogen at position 5 has been replaced by an imidazol-5-yl group which has itself been substituted at positions 2 and 4 by p-[2-(dimethylamino)ethoxy]phenyl and pyridin-4-yl groups, respectively.	2.08	1	aromatic ether; imidazoles; ketoxime; pyridines; tertiary amino compound
pf-477736 PF 00477736: a Chk1 inhibitor; structure in first source. PF-00477736 : A diazepinoindole that is 8-amino-4,5-dihydro-6H-[1,2]diazepino[4,5,6-cd]indol-6-one which is substituted at position 2 by a 1-methylpyrazol-4-yl group and in which the amino group at position 8 has undergone condensation with the carboxy group of (2R)-2-cyclohexylglycine to give the corresponding carboxamide. It is an inhibitor of checkpoint kinase 1 (Chk 1).	2.08	1
fenobam fenobam: in USAN fenobam refers to monohydrate	2.08	1	ureas

Condition	Relationship Strength	Studies
Cancer of Colon [description not available]	2.21	1
Innate Inflammatory Response [description not available]	2.21	1
Benign Neoplasms [description not available]	2.21	1
Colonic Neoplasms Tumors or cancer of the COLON.	2.21	1
Inflammation A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.	2.21	1
Neoplasms New abnormal growth of tissue. Malignant neoplasms show a greater degree of anaplasia and have the properties of invasion and metastasis, compared to benign neoplasms.	2.21	1
Congenital Zika Syndrome [description not available]	2.25	1
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	2.25	1
Zika Virus Infection A viral disease transmitted by the bite of AEDES mosquitoes infected with ZIKA VIRUS. Its mild DENGUE-like symptoms include fever, rash, headaches and ARTHRALGIA. The viral infection during pregnancy, in rare cases, is associated with congenital brain and ocular abnormalities, called Congenital Zika Syndrome, including MICROCEPHALY and may also lead to GUILLAIN-BARRE SYNDROME.	2.25	1
Viral Diseases [description not available]	3.33	1
Virus Diseases A general term for diseases caused by viruses.	3.33	1

fr 148083

Description

Cross-References

Synonyms (26)

Research Excerpts

Bioavailability

Roles (4)

Drug Classes (5)

Protein Targets (11)

Potency Measurements

Inhibition Measurements

Activation Measurements

Other Measurements

Biological Processes (227)

Molecular Functions (64)

Ceullar Components (36)

Bioassays (327)

Research

Studies (23)

Market Indicators

Research Demand Index: 12.46

Study Types

fr 148083

Description

Cross-References

Synonyms (26)

Research Excerpts

Bioavailability

Roles (4)

Drug Classes (5)

Protein Targets (11)

Potency Measurements

Inhibition Measurements

Activation Measurements

Other Measurements

Biological Processes (227)

Molecular Functions (64)

Ceullar Components (36)

Bioassays (327)

Research

Studies (23)

Market Indicators

Research Demand Index: 12.46

Study Types

Related Drugs (433)

Related Conditions (11)