Compile Data Set for Download or QSAR
Report error Found 48 Enz. Inhib. hit(s) with all data for entry = 50021950
TargetBromodomain-containing protein 4(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50402023(BI 6727 | VOLASERTIB)
Affinity DataKd:  79nMMore 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:  69nMMore 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...)
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+3nMMore 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:  82nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM16673(Xarelto | BAY439006 | CHEMBL1336 | BAY 43-9006 | 4...)
Affinity DataKd:  1.23E+3nMMore 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
LigandPNGBDBM50322823((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Affinity DataIC50: 0.5nMMore 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: 0.870nMMore 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...)
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...)
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-...)
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)
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...)
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)...)
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetBDNF/NT-3 growth factors receptor(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM158154(US9029356, 11 | US9255087, 11 | US10081622, Compou...)
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: 3.20nMMore 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: 4.80nMMore 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...)
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...)
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...)
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...)
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...)
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...)
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...)
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...)
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: 5.70nMMore 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: 5.90nMMore 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...)
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: 11nMMore 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: 12nMMore 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: 12nMMore 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: 14nMMore 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: 15nMMore 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: 18nMMore 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: 41nMMore 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: 50nMMore 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
LigandPNGBDBM50332294(N-tert-butyl-3-(5-methyl-2-(4-(2-(pyrrolidin-1-yl)...)
Affinity DataIC50: 130nMMore 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: 254nMMore 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: 297nMMore 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: 380nMMore 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: 381nMMore 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: 436nMMore 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: 747nMMore 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: 830nMMore 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: 900nMMore 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
LigandPNGBDBM50338602((3-Chloro-4-fluoro-phenyl)-[7-methoxy-6-(2-morphol...)
Affinity DataKi:  0.400nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetRho-associated protein kinase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50546247(Netarsudil | AR-11324 FREE BASE | AR-13324 | US114...)
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...)
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed