Compile Data Set for Download or QSAR
Found 205 with Last Name = 'wan' and Initial = 'sq'
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
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))TBA
LigandPNGBDBM50259682(CHEMBL4082527)copy SMILEScopy InChI
Affinity DataIC50: 4.80nMAssay Description:Inhibition of ABCB1 in multidrug-resistant human KB-C2 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity by mea...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2D5FPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))TBA
LigandPNGBDBM50259682(CHEMBL4082527)copy SMILEScopy InChI
Affinity DataIC50: 5nMAssay Description:Inhibition of ABCB1 (unknown origin) expressed in HEK293 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity by m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2D5FPubMed
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
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))TBA
LigandPNGBDBM81939(CAS_52-53-9 | NSC_62969 | VERAPAMIL)copy SMILEScopy InChI
Affinity DataIC50: 7.10nMAssay Description:Inhibition of ABCB1 in multidrug-resistant human KB-C2 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity by mea...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2D5FPubMed
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
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
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
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
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))TBA
LigandPNGBDBM50259682(CHEMBL4082527)copy SMILEScopy InChI
Affinity DataIC50: 10nMAssay Description:Inhibition of ABCB1 (unknown origin) expressed in HEK293 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity by m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2D5FPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))TBA
LigandPNGBDBM81939(CAS_52-53-9 | NSC_62969 | VERAPAMIL)copy SMILEScopy InChI
Affinity DataIC50: 10nMAssay Description:Inhibition of ABCB1 (unknown origin) expressed in HEK293 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity by m...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2D5FPubMed
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
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM81939(CAS_52-53-9 | NSC_62969 | VERAPAMIL)copy SMILEScopy InChI
Affinity DataIC50: 11nMAssay Description:Inhibition of human CYP3A4 preincubated for 10 mins followed by substrate and NADP addition measured after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29027P1PubMedDrugBank
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
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM8610(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)copy SMILEScopy InChI
Affinity DataIC50: 11nMAssay Description:Inhibition of CYP3A4 in in human liver microsomes at incubated for 10 mins in presence of CYP3A4 substrate/NADP+ by fluorescence based assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2D5FPubMed
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
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
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
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
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))TBA
LigandPNGBDBM50259682(CHEMBL4082527)copy SMILEScopy InChI
Affinity DataIC50: 22nMAssay Description:Inhibition of ABCB1 in multidrug-resistant human KB-C2 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity by mea...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2D5FPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))TBA
LigandPNGBDBM50259682(CHEMBL4082527)copy SMILEScopy InChI
Affinity DataIC50: 22nMAssay Description:Inhibition of ABCB1 in multidrug-resistant human SW620/Ad300 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2D5FPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))TBA
LigandPNGBDBM50450079(CHEMBL4166976)copy SMILEScopy InChI
Affinity DataIC50: 30nMAssay Description:Inhibition of ABCB1 (unknown origin) expressed in HEK293T cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel I...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K93B3MPubMed
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
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))TBA
LigandPNGBDBM50450079(CHEMBL4166976)copy SMILEScopy InChI
Affinity DataIC50: 40nMAssay Description:Inhibition of ABCB1 (unknown origin) expressed in HEK293T cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel I...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K93B3MPubMed
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
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))TBA
LigandPNGBDBM50259681(CHEMBL4072052)copy SMILEScopy InChI
Affinity DataIC50: 46nMAssay Description:Inhibition of ABCB1 in multidrug-resistant human SW620/Ad300 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2D5FPubMed
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
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))TBA
LigandPNGBDBM50450079(CHEMBL4166976)copy SMILEScopy InChI
Affinity DataIC50: 50nMAssay Description:Inhibition of ABCB1 (unknown origin) expressed in HEK293T cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel I...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K93B3MPubMed
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
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))TBA
LigandPNGBDBM50549433(CHEMBL4795035)copy SMILES
Affinity DataIC50: 220nMAssay Description:Inhibition of ABCB1 in multidrug-resistant human SW620/Ad300 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2D5FPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))TBA
LigandPNGBDBM50259686(CHEMBL4060820)copy SMILEScopy InChI
Affinity DataIC50: 250nMAssay Description:Inhibition of ABCB1 in multidrug-resistant human SW620/Ad300 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2D5FPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))TBA
LigandPNGBDBM50549429(CHEMBL4798894)copy SMILES
Affinity DataIC50: 260nMAssay Description:Inhibition of ABCB1 in multidrug-resistant human SW620/Ad300 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2D5FPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))TBA
LigandPNGBDBM50259683(CHEMBL4099054)copy SMILEScopy InChI
Affinity DataIC50: 270nMAssay Description:Inhibition of ABCB1 in multidrug-resistant human SW620/Ad300 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2D5FPubMed
Displayed 1 to 50 (of 205 total ) | Next | Last >>
Jump to: