Compounds > xmd 8-92
Page last updated: 2024-08-03 16:37:43

xmd 8-92

Description

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. [CHeBI]

Cross-References

ID SourceID
PubMed CID46843772
CHEMBL ID1673046
SCHEMBL ID619295
CHEBI ID60325
MeSH IDM0569293

Synonyms (48)

Synonym
HY-14443
xmd8-92
CHEBI:60325 ,
2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
CHEMBL1673046 ,
2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)amino)-5,11-dimethyl-5h-benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11h)-one
MLS003230939
smr001913504
scaffold, b46
bdbm50337134
xmd 8-92
BCP0726000184
NCGC00250385-02
NCGC00250385-01
CS-0245
S7525
1234480-50-2
2-[[2-ethoxy-4-(4-hydroxy-1-piperidinyl)phenyl]amino]-5,11-dihydro-5,11-dimethyl-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
2-[2-ethoxy-4-(4-hydroxypiperidin-1-yl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one
gtpl8057
SCHEMBL619295
AKOS024457992
2-(2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenylamino)-5,11-dimethyl-5h-benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11h)-one
AC-35690
4wg ,
J-004942
xmd 8-92 (free base)
DTXSID10676750
2-[2-ethoxy-4-(4-hydroxypiperidin-1-yl)anilino]-5,11-dimethyl-5,11-dihydro-6h-pyrimido[4,5-b][1,4]benzodiazepin-6-one
EX-A999
HMS3653F13
AS-75126
5-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-2,9-dimethyl-2,4,6,9-tetraazatricyclo[9.4.0.0(3),?]pentadeca-1(15),3,5,7,11,13-hexaen-10-one
2-[2-ethoxy-4-(4-hydroxy-1-piperidyl)anilino]-5,11-dimethyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one
xmd8-92, >=98% (hplc)
SW209502-2
FT-0720255
BCP03605
mfcd18782742
Q27089252
2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)amino)-5,11-dimethyl-5,11-dihydro-6h-benzo[e]pyrimido[5,4-b][1,4]diazepin-6-one
SB19429
HMS3295A13
CCG-269488
NCGC00250385-11
BP-25377
2-[[2-ethoxy-4-(4-hydroxy-1-piperidyl)phenyl]amino]-5,11-dimethyl-5h-benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11h)-one
SY346687

Roles (1)

RoleDescription
protein kinase inhibitorAn EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of protein kinases.

Drug Classes (1)

ClassDescription
pyrimidobenzodiazepineAny three-ring heterocyclic compound with a skeleton consisting of a pyrimidine ring fused to a benzodiazepine bicycle.

Protein Targets (20)

Potency Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
PPM1D proteinHomo sapiens (human)Potency10.4353AID1347411
EWS/FLI fusion proteinHomo sapiens (human)Potency19.4171AID1259252; AID1259253; AID1259255; AID1259256
Interferon betaHomo sapiens (human)Potency10.4353AID1347411

Inhibition Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Serine/threonine-protein kinase DCLK1Homo sapiens (human)IC500.7160AID1652716
Mitogen-activated protein kinase 7Homo sapiens (human)IC500.5600AID1535166; AID1567604; AID1912888; AID570551
Leucine-rich repeat serine/threonine-protein kinase 2Homo sapiens (human)IC500.0460AID1652719

Activation Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Serine/threonine-protein kinase PLK4Homo sapiens (human)Kd0.6000AID1913759
Aurora kinase AHomo sapiens (human)Kd0.0800AID1799557
Bromodomain-containing protein 4Homo sapiens (human)Kd0.8350AID1567605; AID1807750; AID1807751; AID1807752
Serine/threonine-protein kinase pim-1Homo sapiens (human)Kd0.0800AID1799557
Dual specificity protein kinase TTKHomo sapiens (human)Kd0.0800AID1799557
Activated CDC42 kinase 1Homo sapiens (human)Kd0.0800AID1799557
Mitogen-activated protein kinase 7Homo sapiens (human)EC505.0000AID1912714
Mitogen-activated protein kinase 7Homo sapiens (human)Kd0.0800AID1799557; AID1913129; AID1913758
Non-receptor tyrosine-protein kinase TNK1Homo sapiens (human)Kd0.8900AID1913761
Bromodomain testis-specific proteinHomo sapiens (human)Kd2.7917AID1807754; AID1807755; AID1807756
Serine/threonine-protein kinase pim-3Homo sapiens (human)Kd0.0800AID1799557
Serine/threonine-protein kinase DCLK2Homo sapiens (human)Kd0.1900AID1913757
Aurora kinase BHomo sapiens (human)Kd0.0800AID1799557
Homeodomain-interacting protein kinase 2Homo sapiens (human)Kd0.0800AID1799557
Serine/threonine-protein kinase pim-2Homo sapiens (human)Kd0.0800AID1799557
Aurora kinase CHomo sapiens (human)Kd0.0800AID1799557

Bioassays (111)

Assay IDTitleYearJournalArticle
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
ISSN: 2472-5560		Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347125qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Rh18 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347094qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111		A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347114qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for DAOY cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
ISSN: 1521-0111		A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347117qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for BT-37 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347100qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508630Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
ISSN: 2211-1247		A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347113qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for LAN-5 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347106qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347118qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for TC32 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347119qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for MG 63 (6-TG R) cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347101qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347135qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Orthogonal 3D viability screen for SK-N-SH cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347091qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347104qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1745845Primary qHTS for Inhibitors of ATXN expression2022The Journal of biological chemistry, 08, Volume: 298, Issue:8
ISSN: 1083-351X
AID1347109qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for NB1643 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347110qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for A673 cells)2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347089qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347126qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Rh30 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347137qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Orthogonal 3D viability screen for Daoy cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347102qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347092qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347107qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347112qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for BT-12 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347083qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen2020Antiviral research, 01, Volume: 173ISSN: 1872-9096A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347139qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Orthogonal 3D viability screen for TC32 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347140qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Orthogonal 3D viability screen for MG 63 (6-TG R) cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347095qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347122qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for U-2 OS cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347124qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for RD cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347082qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173ISSN: 1872-9096A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347111qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for SK-N-MC cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347098qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347090qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347121qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for control Hh wild type fibroblast cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347138qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Orthogonal 3D caspase screen for TC32 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347154Primary screen GU AMC qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490		Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347097qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347136qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Orthogonal 3D viability screen for SJ-GBM2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347105qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347086qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173ISSN: 1872-9096A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347115qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for NB-EBc1 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347123qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Rh41 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347096qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347129qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for SK-N-SH cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347141qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Orthogonal 3D viability screen for RD cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347093qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347128qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for OHS-50 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347116qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for SJ-GBM2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347103qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347127qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Confirmatory screen for Saos-2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
ISSN: 1949-2553		Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1547110Antiproliferative activity against human HL60 cells assessed as reduction in cell viability measured after 24 hrs2020Journal of medicinal chemistry, 04-23, Volume: 63, Issue:8
ISSN: 1520-4804		Discovery of a Novel Dual-Target Inhibitor of ERK1 and ERK5 That Induces Regulated Cell Death to Overcome Compensatory Mechanism in Specific Tumor Types.
AID1547107Inhibition of ERK1 (unknown origin) at 1 uM by Z'-Lyte assay relative to control2020Journal of medicinal chemistry, 04-23, Volume: 63, Issue:8
ISSN: 1520-4804		Discovery of a Novel Dual-Target Inhibitor of ERK1 and ERK5 That Induces Regulated Cell Death to Overcome Compensatory Mechanism in Specific Tumor Types.
AID1497270Inhibition of MEK5 in EGF-stimulated human MDA-MB-231 cells assessed as reduction in pERK5 levels preincubated for 30 mins followed by EGF stimulation measured after 15 mins by Western blot analysis relative to control2018Bioorganic & medicinal chemistry letters, 07-15, Volume: 28, Issue:13
ISSN: 1464-3405		Structure activity relationships of anthranilic acid-based compounds on cellular and in vivo mitogen activated protein kinase-5 signaling pathways.
AID1652717Inhibition of ERK5 (unknown origin) at 10 uM by cell-based KiNativ profiling method2020Journal of medicinal chemistry, 07-23, Volume: 63, Issue:14
ISSN: 1520-4804		Synthesis and Structure-Activity Relationships of DCLK1 Kinase Inhibitors Based on a 5,11-Dihydro-6
AID1567631Antitumor activity against human A2780 cells xenografted in CD1 mouse assessed as reduction in tumor volume at 50 mg/kg, ip administered bid for 10 days started on day 7 post-tumor inoculation and measured three times per week by digital caliper analysis2019European journal of medicinal chemistry, Sep-15, Volume: 178ISSN: 1768-3254Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38α and BRD4.
AID1567604Inhibition of ERK5 in human HeLa cells incubated for 15 mins prior to ATP addition by KiNativ profiling method2019European journal of medicinal chemistry, Sep-15, Volume: 178ISSN: 1768-3254Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38α and BRD4.
AID1547109Inhibition of ERK5 (unknown origin) at 1 uM by Z'-Lyte assay relative to control2020Journal of medicinal chemistry, 04-23, Volume: 63, Issue:8
ISSN: 1520-4804		Discovery of a Novel Dual-Target Inhibitor of ERK1 and ERK5 That Induces Regulated Cell Death to Overcome Compensatory Mechanism in Specific Tumor Types.
AID1807753Binding affinity to recombinant human N-terminal hexaHis-tagged BRDT expressed in Escherichia coli BL21 (DE3) cells assessed as change in melting temperature by DSF assay2021Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21
ISSN: 1520-4804		Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
AID1807755Binding affinity to recombinant human N-terminal hexaHis-tagged BRDT expressed in Escherichia coli BL21 (DE3) cells by qPCR assay2021Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21
ISSN: 1520-4804		Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
AID1547125Inhibition of ERK5 in human MKN74 cells harboring ERK1/2 siRNA assessed as reduction in ERK5 phosphorylation at 1 uM by Western blot analysis2020Journal of medicinal chemistry, 04-23, Volume: 63, Issue:8
ISSN: 1520-4804		Discovery of a Novel Dual-Target Inhibitor of ERK1 and ERK5 That Induces Regulated Cell Death to Overcome Compensatory Mechanism in Specific Tumor Types.
AID1497269Inhibition of MEK1/2 in EGF-stimulated human MDA-MB-231 cells assessed as reduction in pERK1/2 levels preincubated for 30 mins followed by EGF stimulation measured after 15 mins by Western blot analysis relative to control2018Bioorganic & medicinal chemistry letters, 07-15, Volume: 28, Issue:13
ISSN: 1464-3405		Structure activity relationships of anthranilic acid-based compounds on cellular and in vivo mitogen activated protein kinase-5 signaling pathways.
AID1535166Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant human ERK5 (1 to 398 residues) expressed in Escherichia coli using biotin-Ahx-PPGDYSTTPGGTLFSTTPGGTRI peptide as substrate preincubated for 15 mins followed by substrate addition 2019Journal of medicinal chemistry, 01-24, Volume: 62, Issue:2
ISSN: 1520-4804		Discovery and Characterization of the Potent and Highly Selective (Piperidin-4-yl)pyrido[3,2- d]pyrimidine Based in Vitro Probe BAY-885 for the Kinase ERK5.
AID1807751Binding affinity to recombinant human N-terminal hexaHis-tagged BRD4 expressed in Escherichia coli BL21 (DE3) cells by qPCR assay2021Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21
ISSN: 1520-4804		Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
AID570563Half life in rat at 1 mg/kg, iv2011ACS medicinal chemistry letters, Mar-10, Volume: 2, Issue:3
ISSN: 1948-5875		Discovery of a benzo[e]pyrimido-[5,4-b][1,4]diazepin-6(11H)-one as a Potent and Selective Inhibitor of Big MAP Kinase 1.
AID1547111Antiproliferative activity against human MKN74 cells assessed as reduction in cell viability measured after 24 hrs2020Journal of medicinal chemistry, 04-23, Volume: 63, Issue:8
ISSN: 1520-4804		Discovery of a Novel Dual-Target Inhibitor of ERK1 and ERK5 That Induces Regulated Cell Death to Overcome Compensatory Mechanism in Specific Tumor Types.
AID1547112Antiproliferative activity against human HeLa cells assessed as reduction in cell viability measured after 24 hrs2020Journal of medicinal chemistry, 04-23, Volume: 63, Issue:8
ISSN: 1520-4804		Discovery of a Novel Dual-Target Inhibitor of ERK1 and ERK5 That Induces Regulated Cell Death to Overcome Compensatory Mechanism in Specific Tumor Types.
AID570565Volume of distribution at steady state in rat at 1 mg/kg, iv2011ACS medicinal chemistry letters, Mar-10, Volume: 2, Issue:3
ISSN: 1948-5875		Discovery of a benzo[e]pyrimido-[5,4-b][1,4]diazepin-6(11H)-one as a Potent and Selective Inhibitor of Big MAP Kinase 1.
AID570550Inhibition of EGF-induced BMK1 autophosphorylation in human HeLa cells at 0.5 uM by SDS-PAGE analysis relative to control2011ACS medicinal chemistry letters, Mar-10, Volume: 2, Issue:3
ISSN: 1948-5875		Discovery of a benzo[e]pyrimido-[5,4-b][1,4]diazepin-6(11H)-one as a Potent and Selective Inhibitor of Big MAP Kinase 1.
AID1567632Toxicity in CD1 mouse xenografted with human A2780 cells assessed as body weight at 50 mg/kg, ip administered bid for 10 days (Rvb = 96%)2019European journal of medicinal chemistry, Sep-15, Volume: 178ISSN: 1768-3254Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38α and BRD4.
AID1807749Binding affinity to recombinant human N-terminal hexaHis-tagged BRD4 expressed in Escherichia coli BL21 (DE3) cells assessed as change in melting temperature by DSF assay2021Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21
ISSN: 1520-4804		Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
AID1807763Inhibition of PLK1 in HEK293T cells assessed as increase in p21 levels at 0.0001 to 10 uM incubated for 6 hrs by immunoblotting analysis2021Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21
ISSN: 1520-4804		Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
AID1652719Inhibition of recombinant human GST-tagged LRRK2 catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as substrate measured after 1 hr by Alexa fluor-647 ADP tracer-based ADAPTA assay2020Journal of medicinal chemistry, 07-23, Volume: 63, Issue:14
ISSN: 1520-4804		Synthesis and Structure-Activity Relationships of DCLK1 Kinase Inhibitors Based on a 5,11-Dihydro-6
AID1567635In vivo antiangiogenic activity in matrigel containing bFGF-induced angiogenic CD1 mouse model assessed as reduction in blood vessel formation by measuring hemoglobin concentration at 50 mg/kg, ip administered bid for 7 days started at 24 hrs post-matrige2019European journal of medicinal chemistry, Sep-15, Volume: 178ISSN: 1768-3254Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38α and BRD4.
AID1652715Binding affinity to wild-type human partial length DCLK1 (L270 to A662 residues) expressed in mammalian expression system assessed as residual binding level at 10 uM by kinomescan method relative to control2020Journal of medicinal chemistry, 07-23, Volume: 63, Issue:14
ISSN: 1520-4804		Synthesis and Structure-Activity Relationships of DCLK1 Kinase Inhibitors Based on a 5,11-Dihydro-6
AID570581Toxicity in human HeLa cells xenografted mouse assessed as tolerability at 50 mg/kg ip bid for 28 days2011ACS medicinal chemistry letters, Mar-10, Volume: 2, Issue:3
ISSN: 1948-5875		Discovery of a benzo[e]pyrimido-[5,4-b][1,4]diazepin-6(11H)-one as a Potent and Selective Inhibitor of Big MAP Kinase 1.
AID570568AUC (0 to infinity) in rat at 2 mg/kg, po2011ACS medicinal chemistry letters, Mar-10, Volume: 2, Issue:3
ISSN: 1948-5875		Discovery of a benzo[e]pyrimido-[5,4-b][1,4]diazepin-6(11H)-one as a Potent and Selective Inhibitor of Big MAP Kinase 1.
AID1807750Binding affinity to recombinant human N-terminal hexaHis-tagged BRD4 expressed in Escherichia coli BL21 (DE3) cells by MST assay2021Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21
ISSN: 1520-4804		Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
AID1807752Binding affinity to recombinant human N-terminal hexaHis-tagged BRD4 expressed in Escherichia coli BL21 (DE3) cells by ITC analysis2021Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21
ISSN: 1520-4804		Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
AID570571Oral bioavailability in rat at 2 mg/kg2011ACS medicinal chemistry letters, Mar-10, Volume: 2, Issue:3
ISSN: 1948-5875		Discovery of a benzo[e]pyrimido-[5,4-b][1,4]diazepin-6(11H)-one as a Potent and Selective Inhibitor of Big MAP Kinase 1.
AID570562AUC (0 to infinity) in rat at 1 mg/kg, iv2011ACS medicinal chemistry letters, Mar-10, Volume: 2, Issue:3
ISSN: 1948-5875		Discovery of a benzo[e]pyrimido-[5,4-b][1,4]diazepin-6(11H)-one as a Potent and Selective Inhibitor of Big MAP Kinase 1.
AID570567Cmax in rat at 2 mg/kg, po2011ACS medicinal chemistry letters, Mar-10, Volume: 2, Issue:3
ISSN: 1948-5875		Discovery of a benzo[e]pyrimido-[5,4-b][1,4]diazepin-6(11H)-one as a Potent and Selective Inhibitor of Big MAP Kinase 1.
AID1567605Inhibition of BRD4 (unknown origin)2019European journal of medicinal chemistry, Sep-15, Volume: 178ISSN: 1768-3254Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38α and BRD4.
AID570564Plasma clearance in rat at 1 mg/kg, iv2011ACS medicinal chemistry letters, Mar-10, Volume: 2, Issue:3
ISSN: 1948-5875		Discovery of a benzo[e]pyrimido-[5,4-b][1,4]diazepin-6(11H)-one as a Potent and Selective Inhibitor of Big MAP Kinase 1.
AID1909543Antiproliferative activity against human MDA-MB-231 cells assessed as cell growth inhibition at 5 uM incubated for 72 hrs by SRB assay2022Journal of medicinal chemistry, 05-12, Volume: 65, Issue:9
ISSN: 1520-4804		Parallel Optimization of Potency and Pharmacokinetics Leading to the Discovery of a Pyrrole Carboxamide ERK5 Kinase Domain Inhibitor.
AID570560Tmax in rat at 1 mg/kg, iv2011ACS medicinal chemistry letters, Mar-10, Volume: 2, Issue:3
ISSN: 1948-5875		Discovery of a benzo[e]pyrimido-[5,4-b][1,4]diazepin-6(11H)-one as a Potent and Selective Inhibitor of Big MAP Kinase 1.
AID1807757Inhibition of cell growth in human MM1.S cells incubated for 72 hrs by CellTiter-blue reagent based assay2021Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21
ISSN: 1520-4804		Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
AID1567634Binding affinity to recombinant His-tagged BRD4 (unknown origin) at up to 20 uM by surface plasmon resonance analysis2019European journal of medicinal chemistry, Sep-15, Volume: 178ISSN: 1768-3254Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38α and BRD4.
AID570561Cmax in rat at 1 mg/kg, iv2011ACS medicinal chemistry letters, Mar-10, Volume: 2, Issue:3
ISSN: 1948-5875		Discovery of a benzo[e]pyrimido-[5,4-b][1,4]diazepin-6(11H)-one as a Potent and Selective Inhibitor of Big MAP Kinase 1.
AID570566Tmax in rat at 2 mg/kg, po2011ACS medicinal chemistry letters, Mar-10, Volume: 2, Issue:3
ISSN: 1948-5875		Discovery of a benzo[e]pyrimido-[5,4-b][1,4]diazepin-6(11H)-one as a Potent and Selective Inhibitor of Big MAP Kinase 1.
AID1547108Inhibition of ERK2 (unknown origin) at 1 uM by Z'-Lyte assay relative to control2020Journal of medicinal chemistry, 04-23, Volume: 63, Issue:8
ISSN: 1520-4804		Discovery of a Novel Dual-Target Inhibitor of ERK1 and ERK5 That Induces Regulated Cell Death to Overcome Compensatory Mechanism in Specific Tumor Types.
AID1652716Inhibition of recombinant human N-terminal His6-tagged DCLK1 (G351 to H689 residues) expressed in Escherichia coli BL21 DE3 using 5-FAM-KKLRRTLSVA-COOH as substrate measured after 2 hrs by mobility shift assay2020Journal of medicinal chemistry, 07-23, Volume: 63, Issue:14
ISSN: 1520-4804		Synthesis and Structure-Activity Relationships of DCLK1 Kinase Inhibitors Based on a 5,11-Dihydro-6
AID1807754Binding affinity to recombinant human N-terminal hexaHis-tagged BRDT expressed in Escherichia coli BL21 (DE3) cells by MST assay2021Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21
ISSN: 1520-4804		Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
AID570570Plasma clearance in rat at 2 mg/kg, po2011ACS medicinal chemistry letters, Mar-10, Volume: 2, Issue:3
ISSN: 1948-5875		Discovery of a benzo[e]pyrimido-[5,4-b][1,4]diazepin-6(11H)-one as a Potent and Selective Inhibitor of Big MAP Kinase 1.
AID570580Antitumor activity against human HeLa cells xenografted in mouse assessed as inhibition of tumor growth at 50 mg/kg, ip bid for 28 days2011ACS medicinal chemistry letters, Mar-10, Volume: 2, Issue:3
ISSN: 1948-5875		Discovery of a benzo[e]pyrimido-[5,4-b][1,4]diazepin-6(11H)-one as a Potent and Selective Inhibitor of Big MAP Kinase 1.
AID570551Inhibition of EGF-induced BMK1 autophosphorylation in human HeLa cells by SDS-PAGE analysis2011ACS medicinal chemistry letters, Mar-10, Volume: 2, Issue:3
ISSN: 1948-5875		Discovery of a benzo[e]pyrimido-[5,4-b][1,4]diazepin-6(11H)-one as a Potent and Selective Inhibitor of Big MAP Kinase 1.
AID1807758Inhibition of cell growth in HEK293T cells incubated for 72 hrs by CellTiter-blue reagent based assay2021Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21
ISSN: 1520-4804		Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
AID570569Half life in rat at 2 mg/kg, po2011ACS medicinal chemistry letters, Mar-10, Volume: 2, Issue:3
ISSN: 1948-5875		Discovery of a benzo[e]pyrimido-[5,4-b][1,4]diazepin-6(11H)-one as a Potent and Selective Inhibitor of Big MAP Kinase 1.
AID1807756Binding affinity to recombinant human N-terminal hexaHis-tagged BRDT expressed in Escherichia coli BL21 (DE3) cells by ITC analysis2021Journal of medicinal chemistry, 11-11, Volume: 64, Issue:21
ISSN: 1520-4804		Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
AID1799557Biochemical Assay from Article 10.1016/j.chembiol.2011.05.010: \\High-throughput kinase profiling: a more efficient approach toward the discovery of new kinase inhibitors.\\2011Chemistry & biology, Jul-29, Volume: 18, Issue:7
ISSN: 1879-1301		High-throughput kinase profiling: a more efficient approach toward the discovery of new kinase inhibitors.
AID1347411qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Mechanism Interrogation Plate v5.0 (MIPE) Libary2020ACS chemical biology, 07-17, Volume: 15, Issue:7
ISSN: 1554-8937		High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID686947qHTS for small molecule inhibitors of Yes1 kinase: Primary Screen2013Bioorganic & medicinal chemistry letters, Aug-01, Volume: 23, Issue:15
ISSN: 1464-3405		Identification of potent Yes1 kinase inhibitors using a library screening approach.
AID1345738Human mitogen-activated protein kinase 7 (ERK subfamily)2010Cancer cell, Sep-14, Volume: 18, Issue:3
ISSN: 1878-3686		Pharmacological inhibition of BMK1 suppresses tumor growth through promyelocytic leukemia protein.
AID1345691Human doublecortin like kinase 2 (DCAMKL family)2010Cancer cell, Sep-14, Volume: 18, Issue:3
ISSN: 1878-3686		Pharmacological inhibition of BMK1 suppresses tumor growth through promyelocytic leukemia protein.
AID1345818Human tyrosine kinase non receptor 1 (Ack family)2010Cancer cell, Sep-14, Volume: 18, Issue:3
ISSN: 1878-3686		Pharmacological inhibition of BMK1 suppresses tumor growth through promyelocytic leukemia protein.
AID1345858Human polo like kinase 4 (Polo-like kinase (PLK) family)2010Cancer cell, Sep-14, Volume: 18, Issue:3
ISSN: 1878-3686		Pharmacological inhibition of BMK1 suppresses tumor growth through promyelocytic leukemia protein.

Research

Studies (34)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's0 (0.00)29.6817
2010's23 (67.65)24.3611
2020's11 (32.35)2.80

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other34 (100.00%)84.16%
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
lrrk2-in1
0
aromatic amine;
aromatic ether;
N-acylpiperidine;
N-alkylpiperazine;
pyrimidobenzodiazepine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
miltefosine
0
phosphocholines;
phospholipid		anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor		00low000000
nsc 65346
0
nucleoside analogueprotein kinase inhibitor00low000000
erlotinib
0
aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound		antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor		00low000000
erlotinib hydrochloride
0
hydrochloride;
terminal acetylenic compound		antineoplastic agent;
protein kinase inhibitor		00low000000
purvalanol b
0
purvalanolprotein kinase inhibitor00low000000
3,3',4,5'-tetrahydroxystilbene
0
catechols;
polyphenol;
resorcinols;
stilbenol		antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor		00low000000
quercetin
0
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		00low000000
gamma-mangostin
0
phenols;
xanthones		antineoplastic agent;
plant metabolite;
protein kinase inhibitor		00low000000
ekb 569
0
aminoquinoline;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile		protein kinase inhibitor00low000000
aminopurvalanol a
0
monochlorobenzenes;
purvalanol		protein kinase inhibitor00low000000
2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzamide
0
aminopyrimidine;
benzamides		protein kinase inhibitor00low000000
DMH1
0
aromatic ether;
pyrazolopyrimidine;
quinolines		antineoplastic agent;
bone morphogenetic protein receptor antagonist;
protein kinase inhibitor		00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
pk 11195
1
aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes		antineoplastic agent2013201311.0low000010
pd 173074
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		2013201311.0low000010
abt 702
1
bipyridines2013201311.0low000010
bicalutamide
1
(trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol		2013201311.0low000010
verapamil
1
aromatic ether;
nitrile;
polyether;
tertiary amino compound		2013201311.0low000010
celecoxib
1
organofluorine compound;
pyrazoles;
sulfonamide;
toluenes		cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		2013201311.0low000010
chelerythrine
1
benzophenanthridine alkaloid;
organic cation		antibacterial agent;
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor		2013201311.0low000010
furosemide
1
chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic		2013201311.0low000010
gossypol
1
2013201311.0low000010
fasudil
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		2013201311.0low000010
indirubin-3'-monoxime
1
2013201311.0low000010
leflunomide
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		2013201311.0low000010
letrozole
1
nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		2013201311.0low000010
lg 100268
1
2013201311.0low000010
metformin
1
guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic		2013201311.0low000010
mitoxantrone
1
dihydroxyanthraquinoneanalgesic;
antineoplastic agent		2013201311.0low000010
entinostat
1
benzamides;
carbamate ester;
primary amino compound;
pyridines;
substituted aniline		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		2013201311.0low000010
olprinone
1
bipyridines2013201311.0low000010
omeprazole
1
aromatic ether;
benzimidazoles;
pyridines;
sulfoxide		2013201311.0low000010
pioglitazone
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		2013201311.0low000010
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
1
indoles2013201311.0low000010
riluzole
1
benzothiazoles2013201311.0low000010
sb 206553
1
pyrroloindole2013201311.0low000010
sb 220025
1
aminopyrimidine;
imidazoles;
organofluorine compound;
piperidines		angiogenesis inhibitor;
anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		2013201311.0low000010
sb 202190
1
imidazoles;
organofluorine compound;
phenols;
pyridines		apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		2013201311.0low000010
sk&f 86002
1
imidazoles2013201311.0low000010
imatinib
1
aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines		antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor		2013201311.0low000010
vorinostat
1
dicarboxylic acid diamide;
hydroxamic acid		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor		2013201311.0low000010
sulfasalazine
1
2013201311.0low000010
2-[4-(1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine
1
stilbenoid2013201311.0low000010
troglitazone
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		2013201311.0low000010
azacitidine
1
N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent2013201311.0low000010
podophyllotoxin
1
furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator		2013201311.0low000010
formestane
1
17-oxo steroid;
3-oxo-Delta(4) steroid;
enol;
hydroxy steroid		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor		2013201311.0low000010
hydroxychloroquine sulfate
1
2013201311.0low000010
amiloride hydrochloride, anhydrous
1
hydrochloridediuretic;
sodium channel blocker		2013201311.0low000010
acadesine
1
1-ribosylimidazolecarboxamide;
aminoimidazole;
nucleoside analogue		antineoplastic agent;
platelet aggregation inhibitor		2013201311.0low000010
cladribine
1
organochlorine compound;
purine 2'-deoxyribonucleoside		antineoplastic agent;
immunosuppressive agent		2013201311.0low000010
zidovudine
1
azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor		2013201311.0low000010
lonidamine
1
dichlorobenzene;
indazoles;
monocarboxylic acid		antineoplastic agent;
antispermatogenic agent;
EC 2.7.1.1 (hexokinase) inhibitor;
geroprotector		2013201311.0low000010
simvastatin
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		2013201311.0low000010
itraconazole
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		2013201311.0low000010
pravadoline
1
2013201311.0low000010
zileuton
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		2013201311.0low000010
niguldipine
1
diarylmethane2013201311.0low000010
topotecan
1
pyranoindolizinoquinolineantineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor		2013201311.0low000010
eliprodil
1
monochlorobenzenes;
monofluorobenzenes;
piperidines;
secondary alcohol;
tertiary amino compound		2013201311.0low000010
gemcitabine
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		2013201311.0low000010
verapamil hydrochloride
1
2013201311.0low000010
efavirenz
1
acetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound		antiviral drug;
HIV-1 reverse transcriptase inhibitor		2013201311.0low000010
bendamustine
1
benzimidazoles2013201311.0low000010
caroverine
1
quinoxaline derivative2013201311.0low000010
cgs 9343b
1
benzimidazoles2013201311.0low000010
telmisartan
1
benzimidazoles;
biphenyls;
carboxybiphenyl		angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic		2013201311.0low000010
2-methoxyestradiol
1
17beta-hydroxy steroid;
3-hydroxy steroid		angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite		2013201311.0low000010
alacepril
1
dipeptide;
thioacetate ester		EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor2013201311.0low000010
ubenimex
1
2013201311.0low000010
vinpocetine
1
2013201311.0medium000010
deguelin
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		2013201311.0low000010
triptolide
1
diterpenoid;
epoxide;
gamma-lactam;
organic heteroheptacyclic compound		antispermatogenic agent;
plant metabolite		2013201311.0low000010
sr 48692
1
N-acyl-amino acid2013201311.0low000010
elacridar
1
2013201311.0low000010
gefitinib
1
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist		2013201311.0low000010
bay x 1005
1
2013201311.0low000010
gyki 53655
1
2013201311.0low000010
ml-3000
1
2013201311.0low000010
cd 437
1
adamantanes;
monocarboxylic acid;
naphthoic acid;
phenols		apoptosis inducer;
retinoic acid receptor gamma agonist		2013201311.0low000010
docetaxel anhydrous
1
secondary alpha-hydroxy ketone;
tetracyclic diterpenoid		antimalarial;
antineoplastic agent;
photosensitizing agent		2013201311.0low000010
perifosine
1
ammonium betaine;
phospholipid		EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor2013201311.0low000010
mk 767
1
2013201311.0low000010
bazedoxifene acetate
1
2013201311.0medium000010
canertinib
1
monochlorobenzenes;
morpholines;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor		2013201311.0low000010
birb 796
1
aromatic ether;
morpholines;
naphthalenes;
pyrazoles;
ureas		EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
immunomodulator		2013201311.0low000010
tipifarnib
1
imidazoles;
monochlorobenzenes;
primary amino compound;
quinolone		antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor		2013201311.0low000010
cyc 202
1
2,6-diaminopurinesantiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		2013201311.0low000010
sb 203580
1
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		2013201311.0low000010
enzastaurin
1
indoles;
maleimides		2013201311.0low000010
erlotinib
1
aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound		antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor		2013201311.0low000010
piboserod
1
2013201311.0low000010
l 163191
1
2013201311.0low000010
bd 1047
1
primary amine2013201311.0low000010
lapatinib
1
furans;
organochlorine compound;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor		2013201311.0low000010
sorafenib
1
(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		2013201311.0low000010
lenalidomide
1
aromatic amine;
dicarboximide;
isoindoles;
piperidones		angiogenesis inhibitor;
antineoplastic agent;
immunomodulator		2013201311.0low000010
N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide
1
aminoquinoline2013201311.0medium000010
sr 142806
1
2013201311.0low000010
elesclomol
1
carbohydrazide;
thiocarbonyl compound		antineoplastic agent;
apoptosis inducer		2013201311.0low000010
nsc 663284
1
quinolone2013201311.0low000010
bortezomib
1
amino acid amide;
L-phenylalanine derivative;
pyrazines		antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor		2013201311.0low000010
bardoxolone methyl
1
cyclohexenones2013201311.0low000010
nsc 23766
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		2013201311.0low000010
gw 3965
1
diarylmethane2013201311.0low000010
y 27632
1
aromatic amide2013201311.0low000010
6-bromoindirubin-3'-oxime
1
2013201311.0low000010
purvalanol b
1
purvalanolprotein kinase inhibitor2013201311.0low000010
y-700
1
2013201311.0low000010
repsox
1
pyrazolopyridine2013201311.0low000010
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
1
tropane alkaloid2013201311.0medium000010
s 1033
1
(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor		2013201311.0low000010
mercaptopurine
1
aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent		2013201311.0low000010
rg108
1
indolyl carboxylic acid2013201311.0low000010
stf 083010
1
2013201311.0medium000010
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide
1
naphthalenecarboxamide2013201311.0low000010
cct018159
1
benzodioxine;
pyrazoles;
resorcinols		antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor		2013201311.0low000010
secinh3
1
triazoles2013201311.0low000010
jk184
1
2013201311.0low000010
tamoxifen citrate
1
citrate saltangiogenesis inhibitor;
anticoronaviral agent		2013201311.0low000010
hc-067047
1
2013201311.0low000010
bi-78d3
1
aryl sulfide2013201311.0low000010
gsk 3787
1
2013201311.0low000010
methyl-thiohydantoin-tryptophan
1
organonitrogen compound;
organooxygen compound		2013201311.0low000010
2-[2-chloro-6-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid methyl ester
1
monocarboxylic acid2013201311.0medium000010
4-(5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonamide
1
sulfonamide2013201311.0low000010
LSM-1318
1
oxa-steroid2013201311.0low000010
rwj 67657
1
2013201311.0low000010
6-methyl-2-(phenylethynyl)pyridine
1
acetylenic compound;
methylpyridines		anxiolytic drug;
metabotropic glutamate receptor antagonist		2013201311.0low000010
bms 387032
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		2013201311.0low000010
tandutinib
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		2013201311.0low000010
vx-745
1
aryl sulfide;
dichlorobenzene;
difluorobenzene;
pyrimidopyridazine		anti-inflammatory drug;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		2013201311.0low000010
corlanor
1
hydrochloridecardiotonic drug2013201311.0medium000010
dasatinib
1
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		2013201311.0low000010
zd 6474
1
aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine		antineoplastic agent;
tyrosine kinase inhibitor		2013201311.0low000010
compound 968
1
benzophenanthridineEC 3.5.1.2 (glutaminase) inhibitor2013201311.0low000010
sb-224289
1
1,2,4-oxadiazole;
azaspiro compound;
benzamides;
organic heterotetracyclic compound		serotonergic antagonist2013201311.0low000010
gw 7647
1
aryl sulfide;
monocarboxylic acid;
ureas		PPARalpha agonist2013201311.0low000010
l 663536
1
aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes		antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist		2013201311.0low000010
1-[6-(4-chlorophenyl)-5-imidazo[2,1-b]thiazolyl]-N-[(3,4-dichlorophenyl)methoxy]methanimine
1
imidazoles2013201311.0medium000010
N4-ethyl-N6,1,2-trimethyl-N4-phenylpyrimidin-1-ium-4,6-diamine
1
aromatic amine;
tertiary amino compound		2013201311.0medium000010
2-[[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]propanoic acid ethyl ester
1
isoquinolines2013201311.0low000010
sch 79797
1
quinazolines2013201311.0low000010
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide
1
benzamides;
benzodioxoles;
imidazoles;
pyridines		EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor2013201311.0low000010
1-(4-Fluorophenyl)-3-(3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one
1
monobactam2013201311.0medium000010
imd 0354
1
benzamides2013201311.0low000010
ex 527
1
carbazoles;
monocarboxylic acid amide;
organochlorine compound		2013201311.0low000010
quercetin
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		2013201311.0low000010
genistein
1
7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor		2013201311.0low000010
fenretinide
1
monocarboxylic acid amide;
retinoid		antineoplastic agent;
antioxidant		2013201311.0low000010
ter 199
1
2013201311.0low000010
arachidonylcyclopropylamide
1
2013201311.0low000010
ly 320135
1
benzofurans2013201311.0low000010
pd 166285
1
2013201311.0low000010
kn 62
1
piperazines2013201311.0low000010
su 6656
1
2013201311.0low000010
semaxinib
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		2013201311.0low000010
su 11248
1
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		2013201311.0low000010
palbociclib
1
aminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		2013201311.0low000010
jnj-7706621
1
sulfonamide2013201311.0low000010
cisplatin
1
diamminedichloroplatinumantineoplastic agent;
apoptosis inducer;
cross-linking reagent;
ferroptosis inducer;
genotoxin;
mutagen;
nephrotoxin;
photosensitizing agent		2013201311.0low000010
vx680
1
N-arylpiperazine2013201311.0low000010
d 4476
1
imidazoles2013201311.0low000010
cyc 116
1
2013201311.0low000010
bay 19-8004
1
2013201311.0low000010
axitinib
1
aryl sulfide;
benzamides;
indazoles;
pyridines		antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist		2013201311.0low000010
pai 039
1
indole-3-acetic acids2013201311.0low000010
gw2974
1
pyridopyrimidine2013201311.0low000010
ispinesib
1
benzamides2013201311.0low000010
temsirolimus
1
macrolide lactam2013201311.0low000010
pd 184352
1
aminobenzoic acid2013201311.0low000010
bibx 1382bs
1
substituted aniline2013201311.0low000010
hdac-42
1
amidobenzoic acid2013201311.0low000010
[4-[[4-(1-benzothiophen-2-yl)-2-pyrimidinyl]amino]phenyl]-[4-(1-pyrrolidinyl)-1-piperidinyl]methanone
1
benzamides;
N-acylpiperidine		2013201311.0low000010
iniparib
1
carbonyl compound;
organohalogen compound		2013201311.0low000010
mk 0752
1
2013201311.0low000010
gw 501516
1
1,3-thiazoles;
aromatic ether;
aryl sulfide;
monocarboxylic acid;
organofluorine compound		carcinogenic agent;
PPARbeta/delta agonist		2013201311.0low000010
av 412
1
2013201311.0low000010
ag-041r
1
2013201311.0low000010
telatinib
1
2013201311.0low000010
cp 547632
1
2013201311.0low000010
spc-839
1
2013201311.0low000010
lenvatinib
1
aromatic amide;
aromatic ether;
cyclopropanes;
monocarboxylic acid amide;
monochlorobenzenes;
phenylureas;
quinolines		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist;
orphan drug;
vascular endothelial growth factor receptor antagonist		2013201311.0low000010
andarine
1
acetamides;
anilide		2013201311.0low000010
gw843682x
1
(trifluoromethyl)benzenes2013201311.0low000010
pd 0325901
2
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		201320188.5low000020
midostaurin
1
benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound		antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor		2013201311.0low000010
ag 14361
1
benzimidazoles2013201311.0low000010
sb 265610
1
2013201311.0low000010
fr 148083
1
aromatic ether;
macrolide;
phenols;
secondary alcohol;
secondary alpha-hydroxy ketone		antibacterial agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor		2013201311.0low000010
mocetinostat
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		2013201311.0low000010
osi 930
1
aromatic amide2013201311.0low000010
ki 20227
1
2013201311.0low000010
scio-469
1
aromatic amide;
aromatic ketone;
chloroindole;
dicarboxylic acid diamide;
indolecarboxamide;
monofluorobenzenes;
N-acylpiperazine;
N-alkylpiperazine		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		2013201311.0low000010
ssr 69071
1
pyridopyrimidine2013201311.0low000010
pi103
1
aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		2013201311.0low000010
sb 210313
1
2013201311.0high000010
gw 4064
1
stilbenoid2013201311.0low000010
sa 4503
1
2013201311.0low000010
ic 87114
1
6-aminopurines;
biaryl;
quinazolines		EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor2013201311.0low000010
zibotentan
1
phenylpyridine2013201311.0low000010
tivozanib
1
aromatic ether2013201311.0low000010
hki 272
1
nitrile;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor		2013201311.0low000010
tofacitinib
1
N-acylpiperidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound		antirheumatic drug;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		2013201311.0low000010
bibr 1532
1
2013201311.0low000010
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide
1
2013201311.0low000010
rucaparib
1
azepinoindole;
caprolactams;
organofluorine compound;
secondary amino compound		antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor		2013201311.0low000010
cediranib
1
aromatic ether2013201311.0low000010
gw0742
1
monocarboxylic acid2013201311.0low000010
ps1145
1
beta-carbolines2013201311.0low000010
bay 41-8543
1
pyrazolopyridine2013201311.0low000010
chir 99021
1
aminopyridine;
aminopyrimidine;
cyanopyridine;
diamine;
dichlorobenzene;
imidazoles;
secondary amino compound		EC 2.7.11.26 (tau-protein kinase) inhibitor2013201311.0low000010
sb 525334
1
quinoxaline derivative2013201311.0low000010
way-362450
1
indoles2013201311.0low000010
masitinib
1
1,3-thiazoles;
benzamides;
N-alkylpiperazine;
pyridines		antineoplastic agent;
antirheumatic drug;
tyrosine kinase inhibitor		2013201311.0low000010
bx795
1
ureas2013201311.0low000010
pazopanib
1
aminopyrimidine;
indazoles;
sulfonamide		angiogenesis modulating agent;
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist		2013201311.0low000010
sepantronium
1
organic cation2013201311.0low000010
azd 6244
1
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		2013201311.0low000010
1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea
1
2013201311.0low000010
N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide
1
1,3,4-oxadiazoles;
benzamides;
biphenyls;
nitrile		EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor2013201311.0medium000010
ar c155858
1
2013201311.0low000010
aee 788
1
6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amineangiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist;
trypanocidal drug		2013201311.0low000010
saracatinib
1
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		2013201311.0low000010
sd-208
1
2013201311.0low000010
vx 702
1
phenylpyridine2013201311.0low000010
volasertib
2
201320217.0low000011
PB28
1
aromatic ether;
piperazines;
tetralins		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist		2013201311.0low000010
azd 7762
1
aromatic amide;
thiophenes		2013201311.0low000010
krp-203
1
2013201311.0low000010
mk 0354
1
2013201311.0low000010
regorafenib
1
(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide		antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor		2013201311.0low000010
acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl ester
1
pyrroloquinoline2013201311.0low000010
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
1
methoxybenzenes;
substituted aniline		2013201311.0low000010
brivanib
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		2013201311.0low000010
icg 001
1
peptide2013201311.0low000010
mp470
1
N-arylpiperazine2013201311.0low000010
nu 7441
1
dibenzothiophenes2013201311.0low000010
at 7519
1
dichlorobenzene;
piperidines;
pyrazoles;
secondary carboxamide		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor		2013201311.0low000010
bi 2536
2
201320217.0low000011
danusertib
1
piperazines2013201311.0low000010
N-[4-(2-tert-butylphenyl)sulfonylphenyl]-2,3,4-trihydroxy-5-[(2-propan-2-ylphenyl)methyl]benzamide
1
benzamides2013201311.0low000010
N-[5-[[5-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamide
1
benzamides2013201311.0low000010
abt 869
1
aromatic amine;
indazoles;
phenylureas		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		2013201311.0low000010
dorsomorphin
1
aromatic ether;
piperidines;
pyrazolopyrimidine;
pyridines		bone morphogenetic protein receptor antagonist;
EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor		2013201311.0low000010
ac 261066
1
2013201311.0low000010
carfilzomib
1
epoxide;
morpholines;
tetrapeptide		antineoplastic agent;
proteasome inhibitor		2013201311.0low000010
gw9508
1
aromatic amine2013201311.0low000010
jnj 26854165
1
2013201311.0low000010
pf 573228
1
quinolines2013201311.0low000010
gw 2580
1
2013201311.0low000010
idelalisib
1
aromatic amine;
organofluorine compound;
purines;
quinazolines;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor		2013201311.0low000010
crizotinib
1
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amineantineoplastic agent;
biomarker;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor		2013201311.0low000010
5-(5,6-dimethoxy-1-benzimidazolyl)-3-[(2-methylsulfonylphenyl)methoxy]-2-thiophenecarbonitrile
1
benzimidazoles2013201311.0low000010
4-[2-(2-chloro-4-fluoroanilino)-5-methyl-4-pyrimidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
1
aromatic amide;
heteroarene		2013201311.0low000010
osi 906
1
cyclobutanes;
quinolines		2013201311.0low000010
ly2109761
1
2013201311.0low000010
chir-265
1
aromatic ether2013201311.0low000010
motesanib
1
pyridinecarboxamide2013201311.0low000010
az-628
1
benzamides2013201311.0low000010
trametinib
1
acetamides;
aromatic amine;
cyclopropanes;
organofluorine compound;
organoiodine compound;
pyridopyrimidine;
ring assembly		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector		2013201311.0low000010
pf-562,271
1
indoles2013201311.0low000010
veliparib
1
benzimidazolesEC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor2013201311.0low000010
ku-0060648
1
dibenzothiophenes2013201311.0low000010
dactolisib
1
imidazoquinoline;
nitrile;
quinolines;
ring assembly;
ureas		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor		2013201311.0low000010
palomid 529
1
2013201311.0low000010
tosedostat
1
carboxylic ester;
hydroxamic acid;
secondary carboxamide		2013201311.0low000010
mdv 3100
1
(trifluoromethyl)benzenes;
benzamides;
imidazolidinone;
monofluorobenzenes;
nitrile;
thiocarbonyl compound		androgen antagonist;
antineoplastic agent		2013201311.0low000010
ku 60019
1
2013201311.0low000010
gsk 461364
2
(trifluoromethyl)benzenes201320217.0low000011
n-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide
1
2013201311.0low000010
nvp-tae684
1
piperidines2013201311.0low000010
4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-n-(3-(trifluoromethyl)phenyl)benzamide
1
2013201311.0medium000010
gsk 269962a
1
2013201311.0low000010
a-83-01
1
2013201311.0low000010
3-[(1-methyl-3-indolyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one
1
indoles2013201311.0medium000010
vx-770
1
aromatic amide;
monocarboxylic acid amide;
phenols;
quinolone		CFTR potentiator;
orphan drug		2013201311.0low000010
buparlisib
1
aminopyridine;
aminopyrimidine;
morpholines;
organofluorine compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor		2013201311.0low000010
azd 1480
1
2013201311.0low000010
fedratinib
1
sulfonamide2013201311.0low000010
gsk690693
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		2013201311.0low000010
cnf 2024
1
2-aminopurines;
aromatic ether;
organochlorine compound;
pyridines		antineoplastic agent;
Hsp90 inhibitor		2013201311.0low000010
ku 0063794
1
benzyl alcohols;
monomethoxybenzene;
morpholines;
pyridopyrimidine;
tertiary amino compound		antineoplastic agent;
mTOR inhibitor		2013201311.0low000010
azd 7545
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		2013201311.0low000010
nutlin-3b
1
Nutlin;
piperazinone		anticoronaviral agent2013201311.0low000010
pf 04217903
1
quinolines2013201311.0low000010
gdc 0941
1
indazoles;
morpholines;
piperazines;
sulfonamide;
thienopyrimidine		EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor2013201311.0low000010
sm 164
1
benzenes;
organic heterobicyclic compound;
secondary carboxamide;
triazoles		antineoplastic agent;
apoptosis inducer;
radiosensitizing agent		2013201311.0low000010
ph 797804
1
aromatic ether;
benzamides;
organobromine compound;
organofluorine compound;
pyridone		anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		2013201311.0low000010
pha 408
1
2013201311.0low000010
gsk 1016790a
1
1-benzothiophenes;
aromatic primary alcohol;
dichlorobenzene;
N-acylpiperazine;
sulfonamide;
tertiary carboxamide		TRPV4 agonist2013201311.0low000010
olaparib
1
cyclopropanes;
monofluorobenzenes;
N-acylpiperazine;
phthalazines		antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor		2013201311.0low000010
srt1720
1
2013201311.0low000010
plx 4720
1
aromatic ketone;
difluorobenzene;
organochlorine compound;
pyrrolopyridine;
sulfonamide		antineoplastic agent;
B-Raf inhibitor		2013201311.0low000010
cx 4945
1
2013201311.0low000010
cudc 101
1
2013201311.0low000010
mln 8237
1
benzazepine2013201311.0low000010
lde225
1
aminopyridine;
aromatic ether;
benzamides;
biphenyls;
morpholines;
organofluorine compound;
tertiary amino compound		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist		2013201311.0low000010
gdc 0449
1
benzamides;
monochlorobenzenes;
pyridines;
sulfone		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist;
teratogenic agent		2013201311.0low000010
sgx 523
1
aryl sulfide;
biaryl;
pyrazoles;
quinolines;
triazolopyridazine		c-Met tyrosine kinase inhibitor;
nephrotoxic agent		2013201311.0low000010
bms 777607
1
aromatic amide2013201311.0low000010
sgi 1776
1
imidazoles2013201311.0low000010
pci 32765
1
acrylamides;
aromatic amine;
aromatic ether;
N-acylpiperidine;
pyrazolopyrimidine;
tertiary carboxamide		antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		2013201311.0low000010
ponatinib
1
(trifluoromethyl)benzenes;
acetylenic compound;
benzamides;
imidazopyridazine;
N-methylpiperazine		antineoplastic agent;
tyrosine kinase inhibitor		2013201311.0low000010
amg 900
1
2013201311.0low000010
mk-1775
1
piperazines2013201311.0low000010
sch772984
1
biaryl;
indazoles;
N-acylpiperazine;
N-alkylpyrrolidine;
N-arylpiperazine;
pyridines;
pyrimidines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary amino compound;
tertiary carboxamide		analgesic;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		202020204.0low000010
bag956
1
2013201311.0low000010
quizartinib
1
benzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor		2013201311.0low000010
N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl ester
1
carbamate ester2013201311.0low000010
tak 733
1
2013201311.0low000010
mk 2206
1
organic heterotricyclic compoundEC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor2013201311.0low000010
navitoclax
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		2013201311.0low000010
sns 314
1
ureas2013201311.0low000010
ro3280
1
202120213.0medium000001
jzl 184
1
benzodioxoles2013201311.0low000010
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide
1
aminopyrimidine;
benzamides;
morpholines;
nitrile;
secondary amino compound;
tertiary amino compound		anti-anaemic agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		2013201311.0low000010
dcc-2036
1
organofluorine compound;
phenylureas;
pyrazoles;
pyridinecarboxamide;
quinolines		tyrosine kinase inhibitor2013201311.0low000010
cabozantinib
1
aromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor		2013201311.0low000010
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
1
benzamides2013201311.0low000010
incb-018424
1
nitrile;
pyrazoles;
pyrrolopyrimidine		antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor		2013201311.0low000010
bix 01294
1
piperidines2013201311.0low000010
pf 3845
1
piperidines2013201311.0low000010
gsk 2126458
1
aromatic ether;
difluorobenzene;
pyridazines;
pyridines;
quinolines;
sulfonamide		anticoronaviral agent;
antineoplastic agent;
autophagy inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor;
radiosensitizing agent		2013201311.0low000010
ixazomib
1
benzamides;
boronic acids;
dichlorobenzene;
glycine derivative		antineoplastic agent;
apoptosis inducer;
drug metabolite;
orphan drug;
proteasome inhibitor		2013201311.0low000010
ldn 193189
1
pyrimidines2013201311.0low000010
plx4032
1
aromatic ketone;
difluorobenzene;
monochlorobenzenes;
pyrrolopyridine;
sulfonamide		antineoplastic agent;
B-Raf inhibitor		2013201311.0low000010
(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yloxy)-9-[(4-phenylphenyl)methyl]-6-purinyl]amino]-3-phenyl-1-propanol
1
biphenyls2013201311.0low000010
gsk 1363089
1
aromatic ether2013201311.0low000010
kin-193
1
pyridopyrimidine2013201311.0low000010
bay 869766
1
2013201311.0low000010
4-[6-[4-(methoxycarbonylamino)phenyl]-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid methyl ester
1
carbamate ester2013201311.0low000010
6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone
1
organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound		2013201311.0low000010
3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]aniline
1
benzenes;
sulfonamide		2013201311.0low000010
cp 466722
1
quinazolines2013201311.0low000010
CAY10626
1
ureas2013201311.0medium000010
thiopental sodium
1
organochlorine compound;
piperazines;
pyrimidines		antineoplastic agent;
tyrosine kinase inhibitor		2013201311.0low000010
Mps1-IN-2
1
piperidines2011201113.0high000010
pha 793887
1
piperidinecarboxamide2013201311.0low000010
nvp-bsk805
1
2013201311.0low000010
lrrk2-in1
1
aromatic amine;
aromatic ether;
N-acylpiperidine;
N-alkylpiperazine;
pyrimidobenzodiazepine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		202120213.0low000001
jq1 compound
2
carboxylic ester;
organochlorine compound;
tert-butyl ester;
thienotriazolodiazepine		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bromodomain-containing protein 4 inhibitor;
cardioprotective agent;
ferroptosis inducer		201320217.0low000011
jnj38877605
1
quinolines2013201311.0low000010
N-[3-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl]acetamide
1
benzothiazoles2013201311.0medium000010
torin 1
1
N-acylpiperazine;
N-arylpiperazine;
organofluorine compound;
pyridoquinoline;
quinolines		antineoplastic agent;
mTOR inhibitor		2013201311.0low000010
ly2940680
1
2013201311.0low000010
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
1
ureas2013201311.0low000010
ro 4929097
1
dibenzoazepine;
dicarboxylic acid diamide;
lactam;
organofluorine compound		EC 3.4.23.46 (memapsin 2) inhibitor2013201311.0medium000010
gsk4112
1
2013201311.0low000010
torin 2
1
aminopyridine;
organofluorine compound;
primary amino compound;
pyridoquinoline		antineoplastic agent;
mTOR inhibitor		2013201311.0low000010
pf-4708671
1
2013201311.0low000010
N-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide
1
benzamides;
N-acylpiperidine		2013201311.0medium000010
2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide
1
aromatic ether;
methylpyridines;
olefinic compound;
quinazolines;
secondary amino compound;
secondary carboxamide;
toluenes		2013201311.0medium000010
belinostat
1
olefinic compound2013201311.0medium000010
ethyl 1-benzyl-3-hydroxy-2(5h)-oxopyrrole-4-carboxylate
1
carboxylic acid;
pyrroline		2013201311.0low000010
a 769662
1
biphenyls2013201311.0low000010
LimKi 3
1
1,3-thiazoles;
dichlorobenzene;
organofluorine compound;
pyrazoles;
secondary carboxamide		LIM kinase inhibitor2013201311.0low000010
1-[4-amino-7-[3-(2-methoxyethylamino)propyl]-5-(4-methylphenyl)-6-pyrrolo[2,3-d]pyrimidinyl]-2-fluoroethanone
1
pyrroles2013201311.0medium000010
2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxy-2-pyrrolylidene]indole
1
dipyrrins2013201311.0medium000010
N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-2-propenamide
1
tryptamines2013201311.0medium000010
3-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]-6-(phenylmethylene)piperazine-2,5-dione
1
pyrazines2013201311.0medium000010
gsk837149a
1
2013201311.0low000010
N-[4-(3-chloro-4-fluoroanilino)-7-[[(3S)-3-oxolanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide
1
quinazolines2013201311.0medium000010
N-[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide
1
quinazolines2013201311.0medium000010
wnt-c59
1
2013201311.0low000010
5-[1-(2-hydroxyethyl)-3-pyridin-4-yl-4-pyrazolyl]-2,3-dihydroinden-1-one oxime
1
indanes2013201311.0medium000010
chir 258
1
2013201311.0low000010
osi 027
1
2013201311.0low000010
hli 373
1
2013201311.0medium000010
pemetrexed
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		2013201311.0low000010
sildenafil citrate
1
citrate saltEC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent		2013201311.0low000010
aprepitant
1
(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles		antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist		2013201311.0low000010
xav939
1
(trifluoromethyl)benzenes;
thiopyranopyrimidine		tankyrase inhibitor2013201311.0low000010
2-carboxyarabinitol 1-phosphate
1
2013201311.0low000010
nintedanib
1
2013201311.0low000010
ver 52296
1
aromatic amide;
isoxazoles;
monocarboxylic acid amide;
morpholines;
resorcinols		angiogenesis inhibitor;
antineoplastic agent;
Hsp90 inhibitor		2013201311.0low000010
sb-590885
1
aromatic ether;
imidazoles;
ketoxime;
pyridines;
tertiary amino compound		2013201311.0medium000010
pf-477736
1
2013201311.0low000010
bix 02189
2
201920223.5low000011
fenobam
1
ureas2013201311.0low000010
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
fluorouracil
1
nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic		201620168.0low000010
cytarabine
1
beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside		antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent		201720177.0low000010
benzidine
1
biphenyls;
substituted aniline		carcinogenic agent201720177.0low000010
catechin
1
catechinantioxidant;
plant metabolite		201620168.0low000010
epigallocatechin gallate
1
flavans;
gallate ester;
polyphenol		antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite		201620168.0low000010
imatinib mesylate
1
methanesulfonate saltanticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor		201820186.0low000010
curcumin
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		201720177.0low000010
trametinib
1
acetamides;
aromatic amine;
cyclopropanes;
organofluorine compound;
organoiodine compound;
pyridopyrimidine;
ring assembly		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector		202020204.0low000010
acid phosphatase
1
201520159.0low000010
nvp-tae684
1
piperidines201620168.0low000010
gdc-0068
1
N-arylpiperazine202020204.0low000010
lrrk2-in1
1
aromatic amine;
aromatic ether;
N-acylpiperidine;
N-alkylpiperazine;
pyrimidobenzodiazepine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		201620168.0low000010
cyclosporine
1
201920195.0low000010
bix 02189
3
201420178.7medium000030
pyrimidinones
1
202020204.0low000010
ConditionIndicatedStudiesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
Acute Myelogenous Leukemia0
1
201720177.0low000010
Angiogenesis, Pathologic0
1
2011201113.0low000010
Benign Neoplasms0
2
2010201113.5low000110
Bladder Cancer0
1
201720177.0low000010
Cancer of Colon0
1
201620168.0low000010
Cancer of Pancreas0
1
2014201410.0low000010
Cancer of Stomach0
2
201620168.0low000020
Carcinogenesis0
2
201620177.5low000020
Carcinoma, Ductal, Pancreatic0
1
2014201410.0low000010
Carcinoma, Pancreatic Ductal0
1
2014201410.0low000010
Cell Transformation, Neoplastic0
1
201520159.0low000010
Colonic Neoplasms0
1
201620168.0low000010
Congenital Zika Syndrome0
1
202020204.0low000010
Disease Models, Animal0
2
201620206.0low000020
ER-Negative PR-Negative HER2-Negative Breast Cancer0
1
202020204.0low000010
Experimental Neoplasms0
1
201920195.0low000010
Granulocytic Leukemia0
1
2014201410.0low000010
Granulocytic Leukemia, Chronic0
1
201820186.0low000010
Leukemia, Myelogenous, Chronic, BCR-ABL Positive0
1
201820186.0low000010
Leukemia, Myeloid0
1
2014201410.0low000010
Leukemia, Myeloid, Acute0
1
201720177.0low000010
Metastase0
1
2011201113.0low000010
Neoplasm Metastasis0
1
2011201113.0low000010
Neoplasms0
2
2010201113.5low000110
Pancreatic Neoplasms0
1
2014201410.0low000010
Stomach Neoplasms0
2
201620168.0low000020
Triple Negative Breast Neoplasms0
1
202020204.0low000010
Urinary Bladder Neoplasms0
1
201720177.0low000010
Zika Virus Infection0
1
202020204.0low000010

Safety/Toxicity (1)

ArticleYear
Optimal AraC-Cytotoxicity to AML Cells Requires ERK5 Activity.
Journal of cellular biochemistry, , Volume: 118, Issue:6		2017

Bioavailability (3)

ArticleYear
Parallel Optimization of Potency and Pharmacokinetics Leading to the Discovery of a Pyrrole Carboxamide ERK5 Kinase Domain Inhibitor.
Journal of medicinal chemistry, , 05-12, Volume: 65, Issue:9		2022
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology, , Volume: 96, Issue:5		2019
Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38α and BRD4.
European journal of medicinal chemistry, , Sep-15, Volume: 178		2019