Compile Data Set for Download or QSAR
Found 36 Enz. Inhib. hit(s) with all data for entry = 50017361
TargetDihydrofolate reductase(Homo sapiens (Human))TBA
LigandPNGBDBM50457437(CHEBI:71223 | Folotyn | PDX | Pralatrexate)copy SMILEScopy InChI
Affinity DataKi:  0.0130nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN99PGPubMed
TargetThymidylate synthase(Homo sapiens (Human))TBA
LigandPNGBDBM50027656(CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...)copy SMILEScopy InChI
Affinity DataKi:  1.30nMMore data for this Ligand-Target Pair
TargetDihydrofolate reductase(Homo sapiens (Human))TBA
LigandPNGBDBM50027656(CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...)copy SMILEScopy InChI
Affinity DataKi:  7.20nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN99PGPubMed
LigandPNGBDBM50027656(CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...)copy SMILEScopy InChI
Affinity DataKi:  65nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN99PGPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50322823((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)copy SMILEScopy InChI
Affinity DataIC50: 0.400nMMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))TBA
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)copy SMILEScopy InChI
Affinity DataIC50: 0.5nMMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50322823((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)copy SMILEScopy InChI
Affinity DataIC50: 0.5nMMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)copy SMILEScopy InChI
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)copy SMILEScopy InChI
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM136597(US10005783, 14 | US10047097, 14 | US10774085, Exam...)copy SMILEScopy InChI
Affinity DataIC50: 6.5nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN99PGPubMed
TargetBDNF/NT-3 growth factors receptor(Homo sapiens (Human))TBA
LigandPNGBDBM136597(US10005783, 14 | US10047097, 14 | US10774085, Exam...)copy SMILEScopy InChI
Affinity DataIC50: 8.10nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN99PGPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50160871(BI 1482694 | HM61713 | Olmutinib)copy SMILEScopy InChI
Affinity DataIC50: 9.20nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN99PGPubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))TBA
LigandPNGBDBM5445(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)copy SMILEScopy InChI
Affinity DataIC50: 9.80nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN99PGPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM5445(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)copy SMILEScopy InChI
Affinity DataIC50: 10nMMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50160871(BI 1482694 | HM61713 | Olmutinib)copy SMILEScopy InChI
Affinity DataIC50: 10nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN99PGPubMed
TargetCyclin-dependent kinase 4(Homo sapiens (Human))TBA
LigandPNGBDBM148264(7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)p...)copy SMILEScopy InChI
Affinity DataIC50: 10nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN99PGPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50322823((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)copy SMILEScopy InChI
Affinity DataIC50: 10nMMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4(Homo sapiens (Human))TBA
LigandPNGBDBM6309(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)copy SMILEScopy InChI
Affinity DataIC50: 11nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN99PGPubMedDrugBank
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))TBA
LigandPNGBDBM50357312(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)copy SMILEScopy InChI
Affinity DataIC50: 11nMMore data for this Ligand-Target Pair
TargetNT-3 growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM136597(US10005783, 14 | US10047097, 14 | US10774085, Exam...)copy SMILEScopy InChI
Affinity DataIC50: 11nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN99PGPubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))TBA
LigandPNGBDBM471617(US10822334, Compound ONT380 | US20230382923, Compo...)copy SMILEScopy InChI
Affinity DataIC50: 14nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN99PGPubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))TBA
LigandPNGBDBM50322823((S)-N-(4-(3-chloro-4-fluorophenylamino)-7-(tetrahy...)copy SMILEScopy InChI
Affinity DataIC50: 14nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN99PGPubMed
TargetCyclin-dependent kinase 6(Homo sapiens (Human))TBA
LigandPNGBDBM6309(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)copy SMILEScopy InChI
Affinity DataIC50: 16nMMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM5446(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)copy SMILEScopy InChI
Affinity DataIC50: 20nMMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM5447(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)copy SMILEScopy InChI
Affinity DataIC50: 33nMMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 6(Homo sapiens (Human))TBA
LigandPNGBDBM148264(7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)p...)copy SMILEScopy InChI
Affinity DataIC50: 39nMMore data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 2(Homo sapiens (Human))TBA
LigandPNGBDBM50595124(CHEBI:49960 | Caprelsa | GNF-PF-2188 | NSC-744325 ...)copy SMILES
Affinity DataIC50: 40nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN99PGPubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))TBA
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)copy SMILEScopy InChI
Affinity DataIC50: 46nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN99PGPubMed
TargetReceptor tyrosine-protein kinase erbB-4(Homo sapiens (Human))TBA
LigandPNGBDBM112499(DACOMITINIB | US8623883, No. 2 | WO2022090481, Exa...)copy SMILEScopy InChI
Affinity DataIC50: 74nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN99PGPubMed
TargetVascular endothelial growth factor receptor 3(Homo sapiens (Human))TBA
LigandPNGBDBM50595124(CHEBI:49960 | Caprelsa | GNF-PF-2188 | NSC-744325 ...)copy SMILES
Affinity DataIC50: 110nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN99PGPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50595124(CHEBI:49960 | Caprelsa | GNF-PF-2188 | NSC-744325 ...)copy SMILES
Affinity DataIC50: 500nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN99PGPubMed
TargetActivated CDC42 kinase 1(Homo sapiens (Human))TBA
LigandPNGBDBM136597(US10005783, 14 | US10047097, 14 | US10774085, Exam...)copy SMILEScopy InChI
Affinity DataIC50: 576nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN99PGPubMed