Compile Data Set for Download or QSAR

Found 81 hits with Last Name = 'payne' and Initial = 'ah'   

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
Histamine H1 receptor (Homo sapiens (Human))	BDBM50313618 (1-(3-chlorophenyl)-3-(piperidin-2-ylmethyl)imidazo...) Show SMILES Clc1cccc(c1)N1CCN(CC2CCCCN2)C1=O Show InChI InChI=1S/C15H20ClN3O/c16-12-4-3-6-14(10-12)19-9-8-18(15(19)20)11-13-5-1-2-7-17-13/h3-4,6,10,13,17H,1-2,5,7-9,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Activity at histamine H1 receptor				Bioorg Med Chem Lett 20: 2013-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.090 BindingDB Entry DOI: 10.7270/Q27P8ZJG
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50313619 (2-((3-phenylimidazolidin-1-yl)methyl)piperidine | ...) Show SMILES C(C1CCCCN1)N1CCN(C1)c1ccccc1 Show InChI InChI=1S/C15H23N3/c1-2-7-15(8-3-1)18-11-10-17(13-18)12-14-6-4-5-9-16-14/h1-3,7-8,14,16H,4-6,9-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 Activity at histamine H1 receptor				Bioorg Med Chem Lett 20: 2013-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.090 BindingDB Entry DOI: 10.7270/Q27P8ZJG
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50369335 (CHEMBL1201841) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2C3CCC4=CC(=O)CCN4C3=CC[C@]12C |r,c:23,t:14| Show InChI InChI=1S/C22H32N2O2/c1-21(2,3)23-20(26)18-8-7-17-16-6-5-14-13-15(25)10-12-24(14)19(16)9-11-22(17,18)4/h9,13,16-18H,5-8,10-12H2,1-4H3,(H,23,26)/t16?,17-,18+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition against 5 alpha R-2 in human prostate homogenate compared with finasteride in experiment 1				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50057290 ((5aS,7aS,10aS,10bS)-7a-Methyl-1,5a,6,7,7a,9,10,10a...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4CC(=O)C=CN34)[C@@H]1CCC2=O |c:12| Show InChI InChI=1S/C17H23NO2/c1-17-8-6-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)7-9-18(11)15/h7,9,11,13-15H,2-6,8,10H2,1H3/t11?,13-,14-,15-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition against 5 alpha R-2 in human prostate homogenate relative to finasteride				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50057297 ((5aS,7aS,8S,10aS,10bS)-8-Hydroxy-7a-methyl-3,4,6,7...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCN34)[C@@H]1CC[C@@H]2O |t:8| Show InChI InChI=1S/C17H25NO2/c1-17-8-6-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)7-9-18(11)15/h10,13-16,20H,2-9H2,1H3/t13-,14-,15-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition against 5 alpha R-2 in human prostate homogenate relative to finasteride				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50057289 ((5aS,7aS,10aS,10bS,12aS)-7a-Methyl-tetradecahydro-...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CCN34)[C@@H]1CCC2=O Show InChI InChI=1S/C17H25NO2/c1-17-8-6-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)7-9-18(11)15/h11,13-15H,2-10H2,1H3/t11-,13-,14-,15-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition against 5 alpha R-2 in human prostate homogenate relative to finasteride				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50369338 (CHEMBL1237294) Show SMILES C[C@]12CC=C3[C@@H](CCC4=CC(=O)CCN34)C1CC[C@@H]2O |r,c:3,t:8| Show InChI InChI=1S/C17H23NO2/c1-17-8-6-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)7-9-18(11)15/h6,10,13-14,16,20H,2-5,7-9H2,1H3/t13-,14?,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition against 5 alpha R-2 in human prostate homogenate relative to finasteride				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50334788 ((17beta-(N-tert-butylcarbamoyl)-4-aza-5alpha-andro...) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C |r,c:18| Show InChI InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against 5-alpha Reductase-2 on human prostate homogenates from surgically derived benign hyperplastic tissue				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50057292 ((5aS,7aS,10aS,10bS)-7a-Methyl-3,4,5a,6,7,7a,9,10,1...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCN34)[C@@H]1CCC2=O |t:8| Show InChI InChI=1S/C17H23NO2/c1-17-8-6-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)7-9-18(11)15/h10,13-15H,2-9H2,1H3/t13-,14-,15-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition against 5 alpha R-2 in human prostate homogenate relative to finasteride				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50369336 (CHEMBL1237306) Show SMILES C[C@]12CC=C3[C@@H](CCC4=CC(=O)CCN34)C1CCC2=O |r,c:3,t:8| Show InChI InChI=1S/C17H21NO2/c1-17-8-6-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)7-9-18(11)15/h6,10,13-14H,2-5,7-9H2,1H3/t13-,14?,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition against 5 alpha R-2 in human prostate homogenate relative to finasteride				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50369335 (CHEMBL1201841) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2C3CCC4=CC(=O)CCN4C3=CC[C@]12C |r,c:23,t:14| Show InChI InChI=1S/C22H32N2O2/c1-21(2,3)23-20(26)18-8-7-17-16-6-5-14-13-15(25)10-12-24(14)19(16)9-11-22(17,18)4/h9,13,16-18H,5-8,10-12H2,1-4H3,(H,23,26)/t16?,17-,18+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition against 5 alpha R-2 in human prostate homogenate compared with finasteride in experiment 3				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50057295 ((5aS,7aS,8S,10aS,10bS)-7a-Methyl-2-oxo-2,3,4,5a,6,...) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CCN4[C@H]3CC[C@]12C |t:14| Show InChI InChI=1S/C22H34N2O2/c1-21(2,3)23-20(26)18-8-7-17-16-6-5-14-13-15(25)10-12-24(14)19(16)9-11-22(17,18)4/h13,16-19H,5-12H2,1-4H3,(H,23,26)/t16-,17-,18+,19-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition against 5 alpha R-2 in human prostate homogenate relative to finasteride				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50369335 (CHEMBL1201841) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2C3CCC4=CC(=O)CCN4C3=CC[C@]12C |r,c:23,t:14| Show InChI InChI=1S/C22H32N2O2/c1-21(2,3)23-20(26)18-8-7-17-16-6-5-14-13-15(25)10-12-24(14)19(16)9-11-22(17,18)4/h9,13,16-18H,5-8,10-12H2,1-4H3,(H,23,26)/t16?,17-,18+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition against 5 alpha R-2 in human prostate homogenate compared with finasteride in experiment 2				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50369337 (CHEMBL1794821) Show SMILES C[C@]12CCC3=NC(CC(=O)C=C)=CCC3[C@@H]1CCC2=O |c:11,t:4| Show InChI InChI=1S/C17H21NO2/c1-3-12(19)10-11-4-5-13-14-6-7-16(20)17(14,2)9-8-15(13)18-11/h3-4,13-14H,1,5-10H2,2H3/t13?,14-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition against 5 alpha R-2 in human prostate homogenate relative to finasteride				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50369334 (CHEMBL1237307) Show SMILES C[C@]12CCC3=C4C(=O)CCN=C4CCC3[C@@H]1CCC2=O |r,c:4,10| Show InChI InChI=1S/C17H21NO2/c1-17-8-6-11-10(12(17)3-5-15(17)20)2-4-13-16(11)14(19)7-9-18-13/h10,12H,2-9H2,1H3/t10?,12-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition against 5 alpha R-2 in human prostate homogenate relative to finasteride				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50369335 (CHEMBL1201841) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2C3CCC4=CC(=O)CCN4C3=CC[C@]12C |r,c:23,t:14| Show InChI InChI=1S/C22H32N2O2/c1-21(2,3)23-20(26)18-8-7-17-16-6-5-14-13-15(25)10-12-24(14)19(16)9-11-22(17,18)4/h9,13,16-18H,5-8,10-12H2,1-4H3,(H,23,26)/t16?,17-,18+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Tested against 5 alpha R-2 on human prostate homogenate from surgically derived benign hyperplastic tissue in experiment 2				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50369335 (CHEMBL1201841) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2C3CCC4=CC(=O)CCN4C3=CC[C@]12C |r,c:23,t:14| Show InChI InChI=1S/C22H32N2O2/c1-21(2,3)23-20(26)18-8-7-17-16-6-5-14-13-15(25)10-12-24(14)19(16)9-11-22(17,18)4/h9,13,16-18H,5-8,10-12H2,1-4H3,(H,23,26)/t16?,17-,18+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Tested against 5 alpha R-2 on human prostate homogenate from surgically derived benign hyperplastic tissue in experiment 1				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50369335 (CHEMBL1201841) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2C3CCC4=CC(=O)CCN4C3=CC[C@]12C |r,c:23,t:14| Show InChI InChI=1S/C22H32N2O2/c1-21(2,3)23-20(26)18-8-7-17-16-6-5-14-13-15(25)10-12-24(14)19(16)9-11-22(17,18)4/h9,13,16-18H,5-8,10-12H2,1-4H3,(H,23,26)/t16?,17-,18+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against 5-alpha Reductase-2 on human prostate homogenates from surgically derived benign hyperplastic tissue in experiment 1				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50334788 ((17beta-(N-tert-butylcarbamoyl)-4-aza-5alpha-andro...) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C |r,c:18| Show InChI InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human 5-alpha Reductase-1 expressed in DU-145 cells				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50369335 (CHEMBL1201841) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2C3CCC4=CC(=O)CCN4C3=CC[C@]12C |r,c:23,t:14| Show InChI InChI=1S/C22H32N2O2/c1-21(2,3)23-20(26)18-8-7-17-16-6-5-14-13-15(25)10-12-24(14)19(16)9-11-22(17,18)4/h9,13,16-18H,5-8,10-12H2,1-4H3,(H,23,26)/t16?,17-,18+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description TInhibitory activity against 5-alpha Reductase-2 on human prostate homogenates from surgically derived benign hyperplastic tissue in experiment 2				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50369335 (CHEMBL1201841) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2C3CCC4=CC(=O)CCN4C3=CC[C@]12C |r,c:23,t:14| Show InChI InChI=1S/C22H32N2O2/c1-21(2,3)23-20(26)18-8-7-17-16-6-5-14-13-15(25)10-12-24(14)19(16)9-11-22(17,18)4/h9,13,16-18H,5-8,10-12H2,1-4H3,(H,23,26)/t16?,17-,18+,22-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human 5-alpha Reductase-1 expressed in DU-145 cells				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50369335 (CHEMBL1201841) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2C3CCC4=CC(=O)CCN4C3=CC[C@]12C |r,c:23,t:14| Show InChI InChI=1S/C22H32N2O2/c1-21(2,3)23-20(26)18-8-7-17-16-6-5-14-13-15(25)10-12-24(14)19(16)9-11-22(17,18)4/h9,13,16-18H,5-8,10-12H2,1-4H3,(H,23,26)/t16?,17-,18+,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Tested against 5 alpha R-2 on human prostate homogenate from surgically derived benign hyperplastic tissue in experiment 3				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50369336 (CHEMBL1237306) Show SMILES C[C@]12CC=C3[C@@H](CCC4=CC(=O)CCN34)C1CCC2=O |r,c:3,t:8| Show InChI InChI=1S/C17H21NO2/c1-17-8-6-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)7-9-18(11)15/h6,10,13-14H,2-5,7-9H2,1H3/t13-,14?,17-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	263	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human 5-alpha Reductase-1 expressed in DU-145 cells				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50057292 ((5aS,7aS,10aS,10bS)-7a-Methyl-3,4,5a,6,7,7a,9,10,1...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCN34)[C@@H]1CCC2=O |t:8| Show InChI InChI=1S/C17H23NO2/c1-17-8-6-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)7-9-18(11)15/h10,13-15H,2-9H2,1H3/t13-,14-,15-,17-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	299	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human 5-alpha Reductase-1 expressed in DU-145 cells				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50057297 ((5aS,7aS,8S,10aS,10bS)-8-Hydroxy-7a-methyl-3,4,6,7...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCN34)[C@@H]1CC[C@@H]2O |t:8| Show InChI InChI=1S/C17H25NO2/c1-17-8-6-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)7-9-18(11)15/h10,13-16,20H,2-9H2,1H3/t13-,14-,15-,16-,17-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	409	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human 5-alpha Reductase-1 expressed in DU-145 cells				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50057295 ((5aS,7aS,8S,10aS,10bS)-7a-Methyl-2-oxo-2,3,4,5a,6,...) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CCN4[C@H]3CC[C@]12C |t:14| Show InChI InChI=1S/C22H34N2O2/c1-21(2,3)23-20(26)18-8-7-17-16-6-5-14-13-15(25)10-12-24(14)19(16)9-11-22(17,18)4/h13,16-19H,5-12H2,1-4H3,(H,23,26)/t16-,17-,18+,19-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against 5-alpha Reductase-2 on human prostate homogenates from surgically derived benign hyperplastic tissue				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50197859 (4-butyl-N-(3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]...) Show SMILES CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(C)CCc2c1 Show InChI InChI=1S/C21H28N2O2S/c1-3-4-5-17-6-10-21(11-7-17)26(24,25)22-20-9-8-18-12-14-23(2)15-13-19(18)16-20/h6-11,16,22H,3-5,12-15H2,1-2H3	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	500	n/a	n/a	n/a	n/a	n/a	n/a
UK. Vinc Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 17: 400-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.036 BindingDB Entry DOI: 10.7270/Q2668CVB
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50313618 (1-(3-chlorophenyl)-3-(piperidin-2-ylmethyl)imidazo...) Show SMILES Clc1cccc(c1)N1CCN(CC2CCCCN2)C1=O Show InChI InChI=1S/C15H20ClN3O/c16-12-4-3-6-14(10-12)19-9-8-18(15(19)20)11-13-5-1-2-7-17-13/h3-4,6,10,13,17H,1-2,5,7-9,11H2	PDB UniProtKB/SwissProt 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 recombinant CYP2D6 by spectrafluorometry				Bioorg Med Chem Lett 20: 2013-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.090 BindingDB Entry DOI: 10.7270/Q27P8ZJG
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1 (Homo sapiens (Human))	BDBM50057295 ((5aS,7aS,8S,10aS,10bS)-7a-Methyl-2-oxo-2,3,4,5a,6,...) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CCN4[C@H]3CC[C@]12C |t:14| Show InChI InChI=1S/C22H34N2O2/c1-21(2,3)23-20(26)18-8-7-17-16-6-5-14-13-15(25)10-12-24(14)19(16)9-11-22(17,18)4/h13,16-19H,5-12H2,1-4H3,(H,23,26)/t16-,17-,18+,19-,22-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human 5-alpha Reductase-1 expressed in DU-145 cells				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50197858 (4'-chloro-biphenyl-4-sulfonic acid (3-methyl-2,3,4...) Show SMILES CN1CCc2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccc(Cl)cc3)cc2CC1 Show InChI InChI=1S/C23H23ClN2O2S/c1-26-14-12-19-4-9-22(16-20(19)13-15-26)25-29(27,28)23-10-5-18(6-11-23)17-2-7-21(24)8-3-17/h2-11,16,25H,12-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
UK. Vinc Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 17: 400-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.036 BindingDB Entry DOI: 10.7270/Q2668CVB
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50197859 (4-butyl-N-(3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]...) Show SMILES CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(C)CCc2c1 Show InChI InChI=1S/C21H28N2O2S/c1-3-4-5-17-6-10-21(11-7-17)26(24,25)22-20-9-8-18-12-14-23(2)15-13-19(18)16-20/h6-11,16,22H,3-5,12-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
UK. Vinc Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 17: 400-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.036 BindingDB Entry DOI: 10.7270/Q2668CVB
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50369338 (CHEMBL1237294) Show SMILES C[C@]12CC=C3[C@@H](CCC4=CC(=O)CCN34)C1CC[C@@H]2O |r,c:3,t:8| Show InChI InChI=1S/C17H23NO2/c1-17-8-6-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)7-9-18(11)15/h6,10,13-14,16,20H,2-5,7-9H2,1H3/t13-,14?,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against 5-alpha Reductase-2 on human prostate homogenates from surgically derived benign hyperplastic tissue				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50057297 ((5aS,7aS,8S,10aS,10bS)-8-Hydroxy-7a-methyl-3,4,6,7...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCN34)[C@@H]1CC[C@@H]2O |t:8| Show InChI InChI=1S/C17H25NO2/c1-17-8-6-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)7-9-18(11)15/h10,13-16,20H,2-9H2,1H3/t13-,14-,15-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against 5-alpha Reductase-2 on human prostate homogenates from surgically derived benign hyperplastic tissue				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50057292 ((5aS,7aS,10aS,10bS)-7a-Methyl-3,4,5a,6,7,7a,9,10,1...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCN34)[C@@H]1CCC2=O |t:8| Show InChI InChI=1S/C17H23NO2/c1-17-8-6-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)7-9-18(11)15/h10,13-15H,2-9H2,1H3/t13-,14-,15-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against 5-alpha Reductase-2 on human prostate homogenates from surgically derived benign hyperplastic tissue				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50369336 (CHEMBL1237306) Show SMILES C[C@]12CC=C3[C@@H](CCC4=CC(=O)CCN34)C1CCC2=O |r,c:3,t:8| Show InChI InChI=1S/C17H21NO2/c1-17-8-6-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)7-9-18(11)15/h6,10,13-14H,2-5,7-9H2,1H3/t13-,14?,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against 5-alpha Reductase-2 on human prostate homogenates from surgically derived benign hyperplastic tissue				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50369336 (CHEMBL1237306) Show SMILES C[C@]12CC=C3[C@@H](CCC4=CC(=O)CCN34)C1CCC2=O |r,c:3,t:8| Show InChI InChI=1S/C17H21NO2/c1-17-8-6-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)7-9-18(11)15/h6,10,13-14H,2-5,7-9H2,1H3/t13-,14?,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against 5-alpha Reductase-2 on human prostate homogenates from surgically derived benign hyperplastic tissue				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50499216 (CHEMBL3736345) Show SMILES CC(C)(C)n1nnc2CC(CCc12)n1cnc(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C18H21FN6/c1-18(2,3)25-16-9-8-14(10-15(16)21-23-25)24-11-20-17(22-24)12-4-6-13(19)7-5-12/h4-7,11,14H,8-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Limited Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 25: 5792-6 (2015) Article DOI: 10.1016/j.bmcl.2015.10.050 BindingDB Entry DOI: 10.7270/Q22B920X
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50197860 (4'-chloro-biphenyl-4-sulfonic acid (8-isopropylami...) Show SMILES CC(C)Nc1cc2CCN(C)CCc2cc1NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H30ClN3O2S/c1-18(2)28-25-16-21-12-14-30(3)15-13-22(21)17-26(25)29-33(31,32)24-10-6-20(7-11-24)19-4-8-23(27)9-5-19/h4-11,16-18,28-29H,12-15H2,1-3H3	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	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
UK. Vinc Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 17: 400-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.036 BindingDB Entry DOI: 10.7270/Q2668CVB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50313618 (1-(3-chlorophenyl)-3-(piperidin-2-ylmethyl)imidazo...) Show SMILES Clc1cccc(c1)N1CCN(CC2CCCCN2)C1=O Show InChI InChI=1S/C15H20ClN3O/c16-12-4-3-6-14(10-12)19-9-8-18(15(19)20)11-13-5-1-2-7-17-13/h3-4,6,10,13,17H,1-2,5,7-9,11H2	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	7.94E+3	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				Bioorg Med Chem Lett 20: 2013-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.090 BindingDB Entry DOI: 10.7270/Q27P8ZJG
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50313619 (2-((3-phenylimidazolidin-1-yl)methyl)piperidine | ...) Show SMILES C(C1CCCCN1)N1CCN(C1)c1ccccc1 Show InChI InChI=1S/C15H23N3/c1-2-7-15(8-3-1)18-11-10-17(13-18)12-14-6-4-5-9-16-14/h1-3,7-8,14,16H,4-6,9-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6 by spectrafluorometry				Bioorg Med Chem Lett 20: 2013-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.090 BindingDB Entry DOI: 10.7270/Q27P8ZJG
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50197859 (4-butyl-N-(3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]...) Show SMILES CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(C)CCc2c1 Show InChI InChI=1S/C21H28N2O2S/c1-3-4-5-17-6-10-21(11-7-17)26(24,25)22-20-9-8-18-12-14-23(2)15-13-19(18)16-20/h6-11,16,22H,3-5,12-15H2,1-2H3	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	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
UK. Vinc Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 17: 400-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.036 BindingDB Entry DOI: 10.7270/Q2668CVB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50313619 (2-((3-phenylimidazolidin-1-yl)methyl)piperidine | ...) Show SMILES C(C1CCCCN1)N1CCN(C1)c1ccccc1 Show InChI InChI=1S/C15H23N3/c1-2-7-15(8-3-1)18-11-10-17(13-18)12-14-6-4-5-9-16-14/h1-3,7-8,14,16H,4-6,9-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+4	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				Bioorg Med Chem Lett 20: 2013-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.090 BindingDB Entry DOI: 10.7270/Q27P8ZJG
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50197858 (4'-chloro-biphenyl-4-sulfonic acid (3-methyl-2,3,4...) Show SMILES CN1CCc2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccc(Cl)cc3)cc2CC1 Show InChI InChI=1S/C23H23ClN2O2S/c1-26-14-12-19-4-9-22(16-20(19)13-15-26)25-29(27,28)23-10-5-18(6-11-23)17-2-7-21(24)8-3-17/h2-11,16,25H,12-15H2,1H3	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	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
UK. Vinc Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 17: 400-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.036 BindingDB Entry DOI: 10.7270/Q2668CVB
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50197860 (4'-chloro-biphenyl-4-sulfonic acid (8-isopropylami...) Show SMILES CC(C)Nc1cc2CCN(C)CCc2cc1NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H30ClN3O2S/c1-18(2)28-25-16-21-12-14-30(3)15-13-22(21)17-26(25)29-33(31,32)24-10-6-20(7-11-24)19-4-8-23(27)9-5-19/h4-11,16-18,28-29H,12-15H2,1-3H3	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	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
UK. Vinc Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 17: 400-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.036 BindingDB Entry DOI: 10.7270/Q2668CVB
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50197860 (4'-chloro-biphenyl-4-sulfonic acid (8-isopropylami...) Show SMILES CC(C)Nc1cc2CCN(C)CCc2cc1NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H30ClN3O2S/c1-18(2)28-25-16-21-12-14-30(3)15-13-22(21)17-26(25)29-33(31,32)24-10-6-20(7-11-24)19-4-8-23(27)9-5-19/h4-11,16-18,28-29H,12-15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
UK. Vinc Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 17: 400-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.036 BindingDB Entry DOI: 10.7270/Q2668CVB
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50197859 (4-butyl-N-(3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]...) Show SMILES CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(C)CCc2c1 Show InChI InChI=1S/C21H28N2O2S/c1-3-4-5-17-6-10-21(11-7-17)26(24,25)22-20-9-8-18-12-14-23(2)15-13-19(18)16-20/h6-11,16,22H,3-5,12-15H2,1-2H3	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	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
UK. Vinc Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem Lett 17: 400-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.036 BindingDB Entry DOI: 10.7270/Q2668CVB
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50197858 (4'-chloro-biphenyl-4-sulfonic acid (3-methyl-2,3,4...) Show SMILES CN1CCc2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccc(Cl)cc3)cc2CC1 Show InChI InChI=1S/C23H23ClN2O2S/c1-26-14-12-19-4-9-22(16-20(19)13-15-26)25-29(27,28)23-10-5-18(6-11-23)17-2-7-21(24)8-3-17/h2-11,16,25H,12-15H2,1H3	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	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
UK. Vinc Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem Lett 17: 400-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.036 BindingDB Entry DOI: 10.7270/Q2668CVB
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50197860 (4'-chloro-biphenyl-4-sulfonic acid (8-isopropylami...) Show SMILES CC(C)Nc1cc2CCN(C)CCc2cc1NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H30ClN3O2S/c1-18(2)28-25-16-21-12-14-30(3)15-13-22(21)17-26(25)29-33(31,32)24-10-6-20(7-11-24)19-4-8-23(27)9-5-19/h4-11,16-18,28-29H,12-15H2,1-3H3	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	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
UK. Vinc Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 17: 400-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.036 BindingDB Entry DOI: 10.7270/Q2668CVB
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50197858 (4'-chloro-biphenyl-4-sulfonic acid (3-methyl-2,3,4...) Show SMILES CN1CCc2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccc(Cl)cc3)cc2CC1 Show InChI InChI=1S/C23H23ClN2O2S/c1-26-14-12-19-4-9-22(16-20(19)13-15-26)25-29(27,28)23-10-5-18(6-11-23)17-2-7-21(24)8-3-17/h2-11,16,25H,12-15H2,1H3	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	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
UK. Vinc Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 17: 400-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.036 BindingDB Entry DOI: 10.7270/Q2668CVB
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Homo sapiens (Human))	BDBM50057290 ((5aS,7aS,10aS,10bS)-7a-Methyl-1,5a,6,7,7a,9,10,10a...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4CC(=O)C=CN34)[C@@H]1CCC2=O |c:12| Show InChI InChI=1S/C17H23NO2/c1-17-8-6-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)7-9-18(11)15/h7,9,11,13-15H,2-6,8,10H2,1H3/t11?,13-,14-,15-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against 5-alpha Reductase-2 on human prostate homogenates from surgically derived benign hyperplastic tissue				J Med Chem 40: 1112-29 (1997) Article DOI: 10.1021/jm960807v BindingDB Entry DOI: 10.7270/Q2D21Z8K
					More data for this Ligand-Target Pair

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