Compile Data Set for Download or QSAR

Found 140 hits with Last Name = 'bison' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50416771 (CHEMBL1241641) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2nc(cn-32)C(F)(F)F)CC1 Show InChI InChI=1S/C27H26F3N5O/c1-18-8-9-20-21(31-18)5-3-6-22(20)34-14-12-33(13-15-34)11-10-19-4-2-7-23-26(19)36-17-25-32-24(16-35(23)25)27(28,29)30/h2-9,16H,10-15,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50417543 (CHEMBL1632210) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(NC(=O)c3ccccc3)c2)CC1 Show InChI InChI=1S/C29H30N4O/c1-22-13-14-26-27(30-22)11-6-12-28(26)33-19-17-32(18-20-33)16-15-23-7-5-10-25(21-23)31-29(34)24-8-3-2-4-9-24/h2-14,21H,15-20H2,1H3,(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG by SPA				J Med Chem 53: 8228-8240 (2010) Article DOI: 10.1021/jm100714c BindingDB Entry DOI: 10.7270/Q2SF2WD4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50412441 (CHEMBL490417 | SB-744185) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1 Show InChI InChI=1S/C24H26N4O2/c1-17-5-7-19-20(25-17)3-2-4-22(19)28-13-11-27(12-14-28)10-9-18-6-8-23-21(15-18)26-24(29)16-30-23/h2-8,15H,9-14,16H2,1H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50416772 (CHEMBL1242257) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)NC2CCCC2)CC1 Show InChI InChI=1S/C32H36N6O2/c1-22-12-13-25-26(34-22)9-5-10-27(25)37-18-16-36(17-19-37)15-14-23-6-4-11-28-31(23)40-20-29-30(33-21-38(28)29)32(39)35-24-7-2-3-8-24/h4-6,9-13,21,24H,2-3,7-8,14-20H2,1H3,(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50326147 (CHEMBL1242345 | N-(cyclopropylmethyl)-6-(2-(4-(2-m...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)NCC2CC2)CC1 Show InChI InChI=1S/C31H34N6O2/c1-21-8-11-24-25(34-21)5-3-6-26(24)36-16-14-35(15-17-36)13-12-23-4-2-7-27-30(23)39-19-28-29(33-20-37(27)28)31(38)32-18-22-9-10-22/h2-8,11,20,22H,9-10,12-19H2,1H3,(H,32,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50417544 (CHEMBL1632218) Show SMILES Cc1nc(cs1)C(=O)Nc1cccc(CCN2CCN(CC2)c2cccc3nc(C)ccc23)c1 Show InChI InChI=1S/C27H29N5OS/c1-19-9-10-23-24(28-19)7-4-8-26(23)32-15-13-31(14-16-32)12-11-21-5-3-6-22(17-21)30-27(33)25-18-34-20(2)29-25/h3-10,17-18H,11-16H2,1-2H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG by SPA				J Med Chem 53: 8228-8240 (2010) Article DOI: 10.1021/jm100714c BindingDB Entry DOI: 10.7270/Q2SF2WD4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50417549 (CHEMBL1632223) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(NC(=O)Nc3ccccc3)c2)CC1 Show InChI InChI=1S/C29H31N5O/c1-22-13-14-26-27(30-22)11-6-12-28(26)34-19-17-33(18-20-34)16-15-23-7-5-10-25(21-23)32-29(35)31-24-8-3-2-4-9-24/h2-14,21H,15-20H2,1H3,(H2,31,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG by SPA				J Med Chem 53: 8228-8240 (2010) Article DOI: 10.1021/jm100714c BindingDB Entry DOI: 10.7270/Q2SF2WD4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50416770 (CHEMBL1241548) Show SMILES Cc1nc2COc3c(CCN4CCN(CC4)c4cccc5nc(C)ccc45)cccc3-n2c1C Show InChI InChI=1S/C28H31N5O/c1-19-10-11-23-24(29-19)7-5-8-25(23)32-16-14-31(15-17-32)13-12-22-6-4-9-26-28(22)34-18-27-30-20(2)21(3)33(26)27/h4-11H,12-18H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50416769 (CHEMBL1241547) Show SMILES Cc1cn-2c(COc3c(CCN4CCN(CC4)c4cccc5nc(C)ccc45)cccc-23)n1 Show InChI InChI=1S/C27H29N5O/c1-19-9-10-22-23(28-19)6-4-7-24(22)31-15-13-30(14-16-31)12-11-21-5-3-8-25-27(21)33-18-26-29-20(2)17-32(25)26/h3-10,17H,11-16,18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50326139 (6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethy...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2nnnn-32)CC1 Show InChI InChI=1S/C24H25N7O/c1-17-8-9-19-20(25-17)5-3-6-21(19)30-14-12-29(13-15-30)11-10-18-4-2-7-22-24(18)32-16-23-26-27-28-31(22)23/h2-9H,10-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50326135 (CHEMBL1242436 | azetidin-1-yl(6-(2-(4-(2-methylqui...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)N2CCC2)CC1 Show InChI InChI=1S/C30H32N6O2/c1-21-9-10-23-24(32-21)6-3-7-25(23)34-17-15-33(16-18-34)14-11-22-5-2-8-26-29(22)38-19-27-28(31-20-36(26)27)30(37)35-12-4-13-35/h2-3,5-10,20H,4,11-19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50326134 (CHEMBL1242167 | N-cyclobutyl-6-(2-(4-(2-methylquin...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)NC2CCC2)CC1 Show InChI InChI=1S/C31H34N6O2/c1-21-11-12-24-25(33-21)8-4-9-26(24)36-17-15-35(16-18-36)14-13-22-5-2-10-27-30(22)39-19-28-29(32-20-37(27)28)31(38)34-23-6-3-7-23/h2,4-5,8-12,20,23H,3,6-7,13-19H2,1H3,(H,34,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50417545 (CHEMBL1631535) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(NS(C)(=O)=O)c2)CC1 Show InChI InChI=1S/C23H28N4O2S/c1-18-9-10-21-22(24-18)7-4-8-23(21)27-15-13-26(14-16-27)12-11-19-5-3-6-20(17-19)25-30(2,28)29/h3-10,17,25H,11-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG by SPA				J Med Chem 53: 8228-8240 (2010) Article DOI: 10.1021/jm100714c BindingDB Entry DOI: 10.7270/Q2SF2WD4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50417546 (CHEMBL1632220) Show SMILES CCNC(=O)Nc1cccc(CCN2CCN(CC2)c2cccc3nc(C)ccc23)c1 Show InChI InChI=1S/C25H31N5O/c1-3-26-25(31)28-21-7-4-6-20(18-21)12-13-29-14-16-30(17-15-29)24-9-5-8-23-22(24)11-10-19(2)27-23/h4-11,18H,3,12-17H2,1-2H3,(H2,26,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG by SPA				J Med Chem 53: 8228-8240 (2010) Article DOI: 10.1021/jm100714c BindingDB Entry DOI: 10.7270/Q2SF2WD4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50326146 (CHEMBL1242081 | N-cyclopropyl-6-(2-(4-(2-methylqui...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)NC2CC2)CC1 Show InChI InChI=1S/C30H32N6O2/c1-20-8-11-23-24(32-20)5-3-6-25(23)35-16-14-34(15-17-35)13-12-21-4-2-7-26-29(21)38-18-27-28(31-19-36(26)27)30(37)33-22-9-10-22/h2-8,11,19,22H,9-10,12-18H2,1H3,(H,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50413077 (CHEMBL522257) Show SMILES CN1C(=O)COc2ccc(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cc12 Show InChI InChI=1S/C25H28N4O2/c1-18-6-8-20-21(26-18)4-3-5-22(20)29-14-12-28(13-15-29)11-10-19-7-9-24-23(16-19)27(2)25(30)17-31-24/h3-9,16H,10-15,17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50326140 (6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethy...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2cncn-32)CC1 Show InChI InChI=1S/C26H27N5O/c1-19-8-9-22-23(28-19)5-3-6-24(22)30-14-12-29(13-15-30)11-10-20-4-2-7-25-26(20)32-17-21-16-27-18-31(21)25/h2-9,16,18H,10-15,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50326149 ((6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)eth...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)N2CCCCC2)CC1 Show InChI InChI=1S/C32H36N6O2/c1-23-11-12-25-26(34-23)8-6-9-27(25)36-19-17-35(18-20-36)16-13-24-7-5-10-28-31(24)40-21-29-30(33-22-38(28)29)32(39)37-14-3-2-4-15-37/h5-12,22H,2-4,13-21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50326137 (6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethy...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C#N)CC1 Show InChI InChI=1S/C27H26N6O/c1-19-8-9-21-22(30-19)5-3-6-24(21)32-14-12-31(13-15-32)11-10-20-4-2-7-25-27(20)34-17-26-23(16-28)29-18-33(25)26/h2-9,18H,10-15,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50326148 ((6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)eth...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)N2CCCC2)CC1 Show InChI InChI=1S/C31H34N6O2/c1-22-10-11-24-25(33-22)7-5-8-26(24)35-18-16-34(17-19-35)15-12-23-6-4-9-27-30(23)39-20-28-29(32-21-37(27)28)31(38)36-13-2-3-14-36/h4-11,21H,2-3,12-20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50326133 (6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethy...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2nccn-32)CC1 Show InChI InChI=1S/C26H27N5O/c1-19-8-9-21-22(28-19)5-3-6-23(21)30-16-14-29(15-17-30)12-10-20-4-2-7-24-26(20)32-18-25-27-11-13-31(24)25/h2-9,11,13H,10,12,14-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50417548 (CHEMBL1631542) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCOC2=O)CC1 Show InChI InChI=1S/C25H28N4O2/c1-19-8-9-22-23(26-19)6-3-7-24(22)28-14-12-27(13-15-28)11-10-20-4-2-5-21(18-20)29-16-17-31-25(29)30/h2-9,18H,10-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG by SPA				J Med Chem 53: 8228-8240 (2010) Article DOI: 10.1021/jm100714c BindingDB Entry DOI: 10.7270/Q2SF2WD4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50326142 (3-methyl-6-(2-(4-(2-methylquinolin-5-yl)piperazin-...) Show SMILES Cc1nnn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21 Show InChI InChI=1S/C26H28N6O/c1-18-9-10-21-22(27-18)6-4-7-23(21)31-15-13-30(14-16-31)12-11-20-5-3-8-24-26(20)33-17-25-19(2)28-29-32(24)25/h3-10H,11-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50326145 (CHEMBL1241998 | N-isopropyl-6-(2-(4-(2-methylquino...) Show SMILES CC(C)NC(=O)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21 Show InChI InChI=1S/C30H34N6O2/c1-20(2)32-30(37)28-27-18-38-29-22(6-4-9-26(29)36(27)19-31-28)12-13-34-14-16-35(17-15-34)25-8-5-7-24-23(25)11-10-21(3)33-24/h4-11,19-20H,12-18H2,1-3H3,(H,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50326136 (1-(6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)e...) Show SMILES CO\N=C(/C)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21 Show InChI InChI=1S/C29H32N6O2/c1-20-10-11-23-24(31-20)7-5-8-25(23)34-16-14-33(15-17-34)13-12-22-6-4-9-26-29(22)37-18-27-28(21(2)32-36-3)30-19-35(26)27/h4-11,19H,12-18H2,1-3H3/b32-21+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50413549 (CHEMBL513715) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3NC(=O)COc23)CC1 Show InChI InChI=1S/C24H26N4O2/c1-17-8-9-19-20(25-17)5-3-7-22(19)28-14-12-27(13-15-28)11-10-18-4-2-6-21-24(18)30-16-23(29)26-21/h2-9H,10-16H2,1H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50417547 (CHEMBL1632206) Show SMILES CC(=O)Nc1cccc(CCN2CCN(CC2)c2cccc3nc(C)ccc23)c1 Show InChI InChI=1S/C24H28N4O/c1-18-9-10-22-23(25-18)7-4-8-24(22)28-15-13-27(14-16-28)12-11-20-5-3-6-21(17-20)26-19(2)29/h3-10,17H,11-16H2,1-2H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG by SPA				J Med Chem 53: 8228-8240 (2010) Article DOI: 10.1021/jm100714c BindingDB Entry DOI: 10.7270/Q2SF2WD4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50326144 (CHEMBL1241824 | N,N-dimethyl-6-(2-(4-(2-methylquin...) Show SMILES CN(C)C(=O)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21 Show InChI InChI=1S/C29H32N6O2/c1-20-10-11-22-23(31-20)7-5-8-24(22)34-16-14-33(15-17-34)13-12-21-6-4-9-25-28(21)37-18-26-27(29(36)32(2)3)30-19-35(25)26/h4-11,19H,12-18H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50413550 (CHEMBL469345) Show SMILES CN1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12 Show InChI InChI=1S/C25H28N4O2/c1-18-9-10-20-21(26-18)6-4-7-22(20)29-15-13-28(14-16-29)12-11-19-5-3-8-23-25(19)31-17-24(30)27(23)2/h3-10H,11-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50326143 (1-(6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)e...) Show SMILES CC(=O)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21 Show InChI InChI=1S/C28H29N5O2/c1-19-9-10-22-23(30-19)6-4-7-24(22)32-15-13-31(14-16-32)12-11-21-5-3-8-25-28(21)35-17-26-27(20(2)34)29-18-33(25)26/h3-10,18H,11-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50326138 (CHEMBL1241640 | ethyl 6-(2-(4-(2-methylquinolin-5-...) Show SMILES CCOC(=O)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21 Show InChI InChI=1S/C29H31N5O3/c1-3-36-29(35)27-26-18-37-28-21(6-4-9-25(28)34(26)19-30-27)12-13-32-14-16-33(17-15-32)24-8-5-7-23-22(24)11-10-20(2)31-23/h4-11,19H,3,12-18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50326132 (CHEMBL1241912 | N-methyl-6-(2-(4-(2-methylquinolin...) Show SMILES CNC(=O)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21 Show InChI InChI=1S/C28H30N6O2/c1-19-9-10-21-22(31-19)6-4-7-23(21)33-15-13-32(14-16-33)12-11-20-5-3-8-24-27(20)36-17-25-26(28(35)29-2)30-18-34(24)25/h3-10,18H,11-17H2,1-2H3,(H,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50326141 (1-methyl-6-(2-(4-(2-methylquinolin-5-yl)piperazin-...) Show SMILES Cc1nnc2COc3c(CCN4CCN(CC4)c4cccc5nc(C)ccc45)cccc3-n12 Show InChI InChI=1S/C26H28N6O/c1-18-9-10-21-22(27-18)6-4-7-23(21)31-15-13-30(14-16-31)12-11-20-5-3-8-24-26(20)33-17-25-29-28-19(2)32(24)25/h3-10H,11-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50333015 (1-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]e...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc(c2)N2CCNC2=O)CC1 Show InChI InChI=1S/C25H29N5O/c1-19-8-9-22-23(27-19)6-3-7-24(22)29-16-14-28(15-17-29)12-10-20-4-2-5-21(18-20)30-13-11-26-25(30)31/h2-9,18H,10-17H2,1H3,(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG by SPA				J Med Chem 53: 8228-8240 (2010) Article DOI: 10.1021/jm100714c BindingDB Entry DOI: 10.7270/Q2SF2WD4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50326131 (6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethy...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(N)=O)CC1 Show InChI InChI=1S/C27H28N6O2/c1-18-8-9-20-21(30-18)5-3-6-22(20)32-14-12-31(13-15-32)11-10-19-4-2-7-23-26(19)35-16-24-25(27(28)34)29-17-33(23)24/h2-9,17H,10-16H2,1H3,(H2,28,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50326150 ((6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)eth...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)N2CCOCC2)CC1 Show InChI InChI=1S/C31H34N6O3/c1-22-8-9-24-25(33-22)5-3-6-26(24)35-14-12-34(13-15-35)11-10-23-4-2-7-27-30(23)40-20-28-29(32-21-37(27)28)31(38)36-16-18-39-19-17-36/h2-9,21H,10-20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50326140 (6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethy...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2cncn-32)CC1 Show InChI InChI=1S/C26H27N5O/c1-19-8-9-22-23(28-19)5-3-6-24(22)30-14-12-29(13-15-30)11-10-20-4-2-7-25-26(20)32-17-21-16-27-18-31(21)25/h2-9,16,18H,10-15,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using diethoxyflourescein/7-benzyloxyquinoline as substrate				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50326150 ((6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)eth...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)N2CCOCC2)CC1 Show InChI InChI=1S/C31H34N6O3/c1-22-8-9-24-25(33-22)5-3-6-26(24)35-14-12-34(13-15-35)11-10-23-4-2-7-27-30(23)40-20-28-29(32-21-37(27)28)31(38)36-16-18-39-19-17-36/h2-9,21H,10-20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ERG tail current by patch clamp electrophysiology assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50326139 (6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethy...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2nnnn-32)CC1 Show InChI InChI=1S/C24H25N7O/c1-17-8-9-19-20(25-17)5-3-6-21(19)30-14-12-29(13-15-30)11-10-18-4-2-7-22-24(18)32-16-23-26-27-28-31(22)23/h2-9H,10-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2 preincubated for 10 mins				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50326132 (CHEMBL1241912 | N-methyl-6-(2-(4-(2-methylquinolin...) Show SMILES CNC(=O)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21 Show InChI InChI=1S/C28H30N6O2/c1-19-9-10-21-22(31-19)6-4-7-23(21)33-15-13-32(14-16-33)12-11-20-5-3-8-24-27(20)36-17-25-26(28(35)29-2)30-18-34(24)25/h3-10,18H,11-17H2,1-2H3,(H,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human ERG tail current by patch clamp electrophysiology assay				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50326137 (6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethy...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C#N)CC1 Show InChI InChI=1S/C27H26N6O/c1-19-8-9-21-22(30-19)5-3-6-24(21)32-14-12-31(13-15-32)11-10-20-4-2-7-25-27(20)34-17-26-23(16-28)29-18-33(25)26/h2-9,18H,10-15,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9 preincubated for 10 mins				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50326134 (CHEMBL1242167 | N-cyclobutyl-6-(2-(4-(2-methylquin...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)NC2CCC2)CC1 Show InChI InChI=1S/C31H34N6O2/c1-21-11-12-24-25(33-21)8-4-9-26(24)36-17-15-35(16-18-36)14-13-22-5-2-10-27-30(22)39-19-28-29(32-20-37(27)28)31(38)34-23-6-3-7-23/h2,4-5,8-12,20,23H,3,6-7,13-19H2,1H3,(H,34,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C19 preincubated for 10 mins				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50326132 (CHEMBL1241912 | N-methyl-6-(2-(4-(2-methylquinolin...) Show SMILES CNC(=O)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21 Show InChI InChI=1S/C28H30N6O2/c1-19-9-10-21-22(31-19)6-4-7-23(21)33-15-13-32(14-16-33)12-11-20-5-3-8-24-27(20)36-17-25-26(28(35)29-2)30-18-34(24)25/h3-10,18H,11-17H2,1-2H3,(H,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes measured after incubation				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50326133 (6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethy...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2nccn-32)CC1 Show InChI InChI=1S/C26H27N5O/c1-19-8-9-21-22(28-19)5-3-6-23(21)30-16-14-29(15-17-30)12-10-20-4-2-7-24-26(20)32-18-25-27-11-13-31(24)25/h2-9,11,13H,10,12,14-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9 preincubated for 10 mins				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50326133 (6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethy...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2nccn-32)CC1 Show InChI InChI=1S/C26H27N5O/c1-19-8-9-21-22(28-19)5-3-6-23(21)30-16-14-29(15-17-30)12-10-20-4-2-7-24-26(20)32-18-25-27-11-13-31(24)25/h2-9,11,13H,10,12,14-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C19 preincubated for 10 mins				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50326135 (CHEMBL1242436 | azetidin-1-yl(6-(2-(4-(2-methylqui...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)N2CCC2)CC1 Show InChI InChI=1S/C30H32N6O2/c1-21-9-10-23-24(32-21)6-3-7-25(23)34-17-15-33(16-18-34)14-11-22-5-2-8-26-29(22)38-19-27-28(31-20-36(26)27)30(37)35-12-4-13-35/h2-3,5-10,20H,4,11-19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C19 preincubated for 10 mins				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50326136 (1-(6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)e...) Show SMILES CO\N=C(/C)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21 Show InChI InChI=1S/C29H32N6O2/c1-20-10-11-23-24(31-20)7-5-8-25(23)34-16-14-33(15-17-34)13-12-22-6-4-9-26-29(22)37-18-27-28(21(2)32-36-3)30-19-35(26)27/h4-11,19H,12-18H2,1-3H3/b32-21+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2 preincubated for 10 mins				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50326136 (1-(6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)e...) Show SMILES CO\N=C(/C)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21 Show InChI InChI=1S/C29H32N6O2/c1-20-10-11-23-24(31-20)7-5-8-25(23)34-16-14-33(15-17-34)13-12-22-6-4-9-26-29(22)37-18-27-28(21(2)32-36-3)30-19-35(26)27/h4-11,19H,12-18H2,1-3H3/b32-21+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9 preincubated for 10 mins				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50326138 (CHEMBL1241640 | ethyl 6-(2-(4-(2-methylquinolin-5-...) Show SMILES CCOC(=O)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21 Show InChI InChI=1S/C29H31N5O3/c1-3-36-29(35)27-26-18-37-28-21(6-4-9-25(28)34(26)19-30-27)12-13-32-14-16-33(17-15-32)24-8-5-7-23-22(24)11-10-20(2)31-23/h4-11,19H,3,12-18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9 preincubated for 10 mins				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50326137 (6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethy...) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C#N)CC1 Show InChI InChI=1S/C27H26N6O/c1-19-8-9-21-22(30-19)5-3-6-24(21)32-14-12-31(13-15-32)11-10-20-4-2-7-25-27(20)34-17-26-23(16-28)29-18-33(25)26/h2-9,18H,10-15,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using diethoxyflourescein/7-benzyloxyquinoline as substrate				J Med Chem 53: 5827-43 (2010) Article DOI: 10.1021/jm100482n BindingDB Entry DOI: 10.7270/Q2D50N6M
					More data for this Ligand-Target Pair

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