Compile Data Set for Download or QSAR
Report error Found 48 Enz. Inhib. hit(s) with all data for entry = 50021950
TargetEpidermal growth factor receptor(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50338602((3-Chloro-4-fluoro-phenyl)-[7-methoxy-6-(2-morphol...)
Affinity DataKi:  0.400nMAssay Description:Binding affinity to EGFR (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50322823((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Affinity DataIC50: 0.5nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase PLK1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50402023(BI 6727 | VOLASERTIB)
Affinity DataIC50: 0.870nMAssay Description:Inhibition of PLK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50029668(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)
Affinity DataIC50: 1nMAssay Description:Inhibition of EGFR L858R/T790M double mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetHigh affinity nerve growth factor receptor(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM158154(US9029356, 11 | US9255087, 11 | US10081622, Compou...)
Affinity DataIC50: 1nMAssay Description:Inhibition of TRKA (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetReceptor tyrosine-protein kinase erbB-4(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50322823((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Affinity DataIC50: 1nMAssay Description:Inhibition of HER4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetRho-associated protein kinase 2(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50546247(Netarsudil | AR-11324 FREE BASE | AR-13324 | US114...)
Affinity DataKi:  1nMAssay Description:Binding affinity to ROCK2 (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetRho-associated protein kinase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50546247(Netarsudil | AR-11324 FREE BASE | AR-13324 | US114...)
Affinity DataKi:  1nMAssay Description:Binding affinity to ROCK1 (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetSerine/threonine-protein kinase B-raf(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50428286(GSK2118436A | DABRAFENIB)
Affinity DataIC50: 2nMAssay Description:Inhibition of BRAF V600E mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase JAK1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50193995(CP-690550 | 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrro...)
Affinity DataIC50: 3nMAssay Description:Inhibition of JAK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetBDNF/NT-3 growth factors receptor(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM158154(US9029356, 11 | US9255087, 11 | US10081622, Compou...)
Affinity DataIC50: 3nMAssay Description:Inhibition of TRKB (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetTyrosine-protein kinase JAK2(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50332294(N-tert-butyl-3-(5-methyl-2-(4-(2-(pyrrolidin-1-yl)...)
Affinity DataIC50: 3nMAssay Description:Inhibition of JAK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase B-raf(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50428286(GSK2118436A | DABRAFENIB)
Affinity DataIC50: 3.20nMAssay Description:Inhibition of wild type BRAF (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetProto-oncogene tyrosine-protein kinase receptor Ret(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50396483(PLX-4032 | RG 7204 | Ro 5185426 | VEMURAFENIB | US...)
Affinity DataIC50: 4.80nMAssay Description:Inhibition of RET (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCyclin-dependent kinase 9(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50139171(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Affinity DataIC50: 5nMAssay Description:Inhibition of CDK9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCyclin-dependent kinase 5(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50139171(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Affinity DataIC50: 5nMAssay Description:Inhibition of CDK5 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCyclin-dependent kinase 2(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50139171(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Affinity DataIC50: 5nMAssay Description:Inhibition of CDK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetNT-3 growth factor receptor(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM158154(US9029356, 11 | US9255087, 11 | US10081622, Compou...)
Affinity DataIC50: 5nMAssay Description:Inhibition of TRKC (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetVascular endothelial growth factor receptor 3(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM25117(AG-013736 | N-methyl-2-({3-[(E)-2-(pyridin-2-yl)et...)
Affinity DataIC50: 5nMAssay Description:Inhibition of VEGFR3 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetVascular endothelial growth factor receptor 2(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM25117(AG-013736 | N-methyl-2-({3-[(E)-2-(pyridin-2-yl)et...)
Affinity DataIC50: 5nMAssay Description:Inhibition of VEGFR2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetVascular endothelial growth factor receptor 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM25117(AG-013736 | N-methyl-2-({3-[(E)-2-(pyridin-2-yl)et...)
Affinity DataIC50: 5nMAssay Description:Inhibition of VEGFR1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetMast/stem cell growth factor receptor Kit(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM25117(AG-013736 | N-methyl-2-({3-[(E)-2-(pyridin-2-yl)et...)
Affinity DataIC50: 5nMAssay Description:Inhibition of c-Kit (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetTyrosine-protein kinase JAK2(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50021656(LY-3009104 | INCB-028050 | BARICITINIB | US1011290...)
Affinity DataIC50: 5.70nMAssay Description:Inhibition of JAK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetTyrosine-protein kinase JAK1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50021656(LY-3009104 | INCB-028050 | BARICITINIB | US1011290...)
Affinity DataIC50: 5.90nMAssay Description:Inhibition of JAK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetStimulator of interferon genes protein(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM6309(8-cyclopentyl-6-acetyl-5-methyl-2-{[5-(piperazin-1...)
Affinity DataKd:  6nMAssay Description:Binding affinity to human recombinant STING in assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetALK tyrosine kinase receptor(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM158154(US9029356, 11 | US9255087, 11 | US10081622, Compou...)
Affinity DataIC50: 7nMAssay Description:Inhibition of ALK (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Purdue University

Curated by ChEMBL
LigandPNGBDBM6309(8-cyclopentyl-6-acetyl-5-methyl-2-{[5-(piperazin-1...)
Affinity DataIC50: 11nMAssay Description:Inhibition of CDK4/cyclin D1 (unknown origin) extracted from baculovirus infected insect cells using GST-Rb as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50029668(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)
Affinity DataIC50: 12nMAssay Description:Inhibition of EGFR L858R mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetProto-oncogene tyrosine-protein kinase ROS(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM158154(US9029356, 11 | US9255087, 11 | US10081622, Compou...)
Affinity DataIC50: 12nMAssay Description:Inhibition ROS1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetReceptor tyrosine-protein kinase erbB-2(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50322823((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Affinity DataIC50: 14nMAssay Description:Inhibition of HER2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetG1/S-specific cyclin-D2(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM6309(8-cyclopentyl-6-acetyl-5-methyl-2-{[5-(piperazin-1...)
Affinity DataIC50: 15nMAssay Description:Inhibition of CDK6/cyclin D2 (unknown origin) extracted from baculovirus infected insect cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetAdenosine receptor A3(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM60665(US9145414, R406 | US9212178, R406 | BDBM50249542 |...)
Affinity DataIC50: 18nMAssay Description:Inhibition of adenosine A3 receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetTyrosine-protein kinase receptor TYRO3(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM60665(US9145414, R406 | US9212178, R406 | BDBM50249542 |...)
Affinity DataIC50: 41nMAssay Description:Inhibition of SKY (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCyclin-dependent kinase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50139171(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Affinity DataIC50: 50nMAssay Description:Inhibition of CDK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetAldo-keto reductase family 1 member C3(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50139171(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Affinity DataKd:  69nMAssay Description:Binding affinity to human recombinant AKR1C3 extracted from Escherichia coli assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetBromodomain-containing protein 4(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50402023(BI 6727 | VOLASERTIB)
Affinity DataKd:  79nMAssay Description:Binding affinity to BRD4 (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50428286(GSK2118436A | DABRAFENIB)
Affinity DataEC50:  82nMAssay Description:Agonist activity at human Pregnane X receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetBromodomain-containing protein 4(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50332294(N-tert-butyl-3-(5-methyl-2-(4-(2-(pyrrolidin-1-yl)...)
Affinity DataIC50: 130nMAssay Description:Inhibition of BRD4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50316226(MK-4827 | (S)-2-(4-(piperidin-3-yl)phenyl)-2H-inda...)
Affinity DataIC50: 254nMAssay Description:Inhibition of DYRK1B (unknown origin) by DiscoverX KINOMEscan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
LigandPNGBDBM50316226(MK-4827 | (S)-2-(4-(piperidin-3-yl)phenyl)-2H-inda...)
Affinity DataIC50: 297nMAssay Description:Inhibition of DYRK1A (unknown origin) by DiscoverX KINOMEscan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetRibosyldihydronicotinamide dehydrogenase [quinone](Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50237710(AMN 107 | AMN107 | 4-methyl-N-[3-(4-methyl-1H-imid...)
Affinity DataIC50: 380nMAssay Description:Inhibition of full length human recombinant NQO2 extracted from Escherichia coli BL21(DE3) Tuner cells by TR-FRET analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetCyclin-dependent kinase 16(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50446130(AG-014699 | AG-14447 | Rucaparib | RUCAPARIB CAMSY...)
Affinity DataIC50: 381nMAssay Description:Inhibition of CDK16 (unknown origin) by discoverX kinomescan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetSerine/threonine-protein kinase pim-3(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50446130(AG-014699 | AG-14447 | Rucaparib | RUCAPARIB CAMSY...)
Affinity DataIC50: 436nMAssay Description:Inhibition of PIM3 (unknown origin) by discoverX kinome scan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
LigandPNGBDBM50446130(AG-014699 | AG-14447 | Rucaparib | RUCAPARIB CAMSY...)
Affinity DataIC50: 747nMAssay Description:Inhibition of DYRK1B (unknown origin) by DiscoverX KINOMEscan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetADP-sugar pyrophosphatase(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | US9181263, 1 | US9108973, Ref 1 | US92...)
Affinity DataIC50: 830nMAssay Description:Antagonist activity at NUDT5 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetTyrosine-protein kinase BTK(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | US9181263, 1 | US9108973, Ref 1 | US92...)
Affinity DataIC50: 900nMAssay Description:Inhibition of BTK (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
LigandPNGBDBM16673(Xarelto | BAY439006 | CHEMBL1336 | BAY 43-9006 | 4...)
Affinity DataKd:  1.23E+3nMAssay Description:Binding affinity to PDE6D (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
LigandPNGBDBM50193995(CP-690550 | 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrro...)
Affinity DataKd:  7.00E+3nMAssay Description:Binding affinity to TRPM6 (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed