Compile Data Set for Download or QSAR
Report error Found 36 Enz. Inhib. hit(s) with all data for entry = 50017361
LigandPNGBDBM50403068(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)
Affinity DataEC50:  8nMAssay Description:Inhibition of p110delta (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50322823((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Affinity DataIC50: 0.400nMAssay Description:Inhibition of EGFR L858R mutant (unknown origin) using pEY (4:1) as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | US9181263, 1 | US9108973, Ref 1 | US92...)
Affinity DataIC50: 0.5nMAssay Description:Inhibition of BTK in human DOHH-2 cells preincubated for 1 hr followed by compound washout and anti-IgG stimulation for 2 mins by chemiluminescence b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50322823((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Affinity DataIC50: 0.5nMAssay Description:Inhibition of human wild type EGFR using pEY (4:1) as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM5446(Erlotinib | OSI-774 | N-(3-ethynylphenyl)-6,7-bis(...)
Affinity DataIC50: 2nMAssay Description:Inhibition of EGFR in human A-431 cells membrane incubated for 8 mins in presence of ATP by colorimetry assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50403068(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)
Affinity DataIC50: 2.5nMAssay Description:Inhibition of p110delta (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50193013(Duvelisib | INK-1147 | INK-1197 | IPI-145)
Affinity DataIC50: 2.5nMAssay Description:Inhibition of p110delta (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50: 6nMAssay Description:Inhibition of GST-tagged EGFR (unknown origin) expressed in insect cells by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetHigh affinity nerve growth factor receptor(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM136597(US8865698, 14 | US10047097, 14 | US9676783, 14 | U...)
Affinity DataIC50: 6.5nMAssay Description:Inhibition of TRKA (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetBDNF/NT-3 growth factors receptor(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM136597(US8865698, 14 | US10047097, 14 | US9676783, 14 | U...)
Affinity DataIC50: 8.10nMAssay Description:Inhibition of TRKB (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50160871(BI 1482694 | HM61713 | Olmutinib)
Affinity DataIC50: 9.20nMAssay Description:Inhibition of EGFR DEL19 mutant in human HCC827 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetReceptor tyrosine-protein kinase erbB-2(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM5445(N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(...)
Affinity DataIC50: 9.80nMAssay Description:Inhibition of HER2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50160871(BI 1482694 | HM61713 | Olmutinib)
Affinity DataIC50: 10nMAssay Description:Inhibition of EGFR L858R/T790M double mutant in human NCI-H1975 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCyclin-dependent kinase 4(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM148264(US8962630, 74 | Ribociclib | LEE011 | Kisqali | 7-...)
Affinity DataIC50: 10nMAssay Description:Inhibition of CDK4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50322823((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Affinity DataIC50: 10nMAssay Description:Inhibition of human GST-tagged EGFR L858R/T790M double mutant using pEY (4:1) as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM5445(N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(...)
Affinity DataIC50: 10nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetNT-3 growth factor receptor(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM136597(US8865698, 14 | US10047097, 14 | US9676783, 14 | U...)
Affinity DataIC50: 11nMAssay Description:Inhibition of TRKC (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetTyrosine-protein kinase BTK(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50357312(IBRUTINIB | US9181263, 1 | US9108973, Ref 1 | US92...)
Affinity DataIC50: 11nMAssay Description:Inhibition of BTK autophosphorylation in anti-IgG stimulated human DOHH-2 cells preincubated for 1 hr followed by compound washout and anti-IgG stimu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCyclin-dependent kinase 4(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM6309(8-cyclopentyl-6-acetyl-5-methyl-2-{[5-(piperazin-1...)
Affinity DataIC50: 11nMAssay Description:Inhibition of CDK4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetReceptor tyrosine-protein kinase erbB-2(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM471617(US10822334, Compound ONT380 | US20230382923, Compo...)
Affinity DataIC50: 14nMAssay Description:Inhibition of HER2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetReceptor tyrosine-protein kinase erbB-2(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50322823((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)
Affinity DataIC50: 14nMAssay Description:Inhibition of HER2 (unknown origin) using pEY (4:1) as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetCyclin-dependent kinase 6(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM6309(8-cyclopentyl-6-acetyl-5-methyl-2-{[5-(piperazin-1...)
Affinity DataIC50: 16nMAssay Description:Inhibition of CDK6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM5446(Erlotinib | OSI-774 | N-(3-ethynylphenyl)-6,7-bis(...)
Affinity DataIC50: 20nMAssay Description:Inhibition of EGF stimulated EGFR autophosphorylation in human HN5 cells incubated for 24 hrs by Western blotting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50193013(Duvelisib | INK-1147 | INK-1197 | IPI-145)
Affinity DataIC50: 27nMAssay Description:Inhibition of p110gamma (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM5447(ZD1839 | N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[...)
Affinity DataIC50: 33nMAssay Description:Inhibition of EGFR in human A-431 cells membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 6(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM148264(US8962630, 74 | Ribociclib | LEE011 | Kisqali | 7-...)
Affinity DataIC50: 39nMAssay Description:Inhibition of CDK6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetVascular endothelial growth factor receptor 2(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50595124(VANDETANIB | CHEBI:49960 | Vandetanib | GNF-PF-218...)
Affinity DataIC50: 40nMAssay Description:Inhibition of VEGFR2 (unknown origin) by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetReceptor tyrosine-protein kinase erbB-2(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50: 46nMAssay Description:Inhibition of GST-tagged ERBB2 (unknown origin) expressed in insect cells by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetReceptor tyrosine-protein kinase erbB-4(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)
Affinity DataIC50: 74nMAssay Description:Inhibition of GST-tagged ERBB4 (unknown origin) expressed in insect cells by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetVascular endothelial growth factor receptor 3(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50595124(VANDETANIB | CHEBI:49960 | Vandetanib | GNF-PF-218...)
Affinity DataIC50: 110nMAssay Description:Inhibition of VEGFR3 (unknown origin) by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetEpidermal growth factor receptor(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50595124(VANDETANIB | CHEBI:49960 | Vandetanib | GNF-PF-218...)
Affinity DataIC50: 500nMAssay Description:Inhibition of HER1 (unknown origin) by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetActivated CDC42 kinase 1(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM136597(US8865698, 14 | US10047097, 14 | US9676783, 14 | U...)
Affinity DataIC50: 576nMAssay Description:Inhibition of TNK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetDihydrofolate reductase(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50457437(CHEBI:71223 | Folotyn | PDX | Pralatrexate)
Affinity DataKi:  0.0130nMAssay Description:Inhibition of DHFR (unknown origin) at pH 6.7More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetThymidylate synthase(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50027656(CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...)
Affinity DataKi:  1.30nMAssay Description:Inhibition of thymidylate synthase (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetDihydrofolate reductase(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50027656(CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...)
Affinity DataKi:  7.20nMAssay Description:Inhibition of DHFR (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetTrifunctional purine biosynthetic protein adenosine-3(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50027656(CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...)
Affinity DataKi:  65nMAssay Description:Inhibition of GARFT (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed