Compile Data Set for Download or QSAR

Found 1283 hits Enz. Inhib. hit(s) with Target = 'Steroid 5-alpha-reductase'   

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
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM92326 (Finasteride, 3) Show SMILES CC(C)(C)NC(=O)[C@H]1CCC2C3CCC4NC(=O)C=C[C@]4(C)C3CC[C@]12C 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-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	6.5	37
National University of Mexico City					Assay Description The IC50 values for the synthesized steroids with human prostate 5alpha-reductase enzyme.				J Enzyme Inhib Med Chem 24: 655-62 (2009) Article DOI: 10.1080/14756360802323720 BindingDB Entry DOI: 10.7270/Q2ZK5F9G
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM92327 (Steroid, 9a) Show SMILES CC(=O)[C@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)OC(=O)c1ccccc1 Show InChI InChI=1S/C28H34O4/c1-18(29)28(32-25(31)19-7-5-4-6-8-19)16-13-24-22-10-9-20-17-21(30)11-14-26(20,2)23(22)12-15-27(24,28)3/h4-8,17,22-24H,9-16H2,1-3H3/t22?,23?,24?,26-,27-,28-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	6.5	37
National University of Mexico City					Assay Description The IC50 values for the synthesized steroids with human prostate 5alpha-reductase enzyme.				J Enzyme Inhib Med Chem 24: 655-62 (2009) Article DOI: 10.1080/14756360802323720 BindingDB Entry DOI: 10.7270/Q2ZK5F9G
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM92330 (Steroid, 10b) Show SMILES CC(=O)[C@]1(CCC2C3CC[C@@]45O[C@@H]4C(=O)CC[C@]5(C)C3CC[C@]12C)OC(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C28H33BrO5/c1-16(30)27(34-24(32)17-4-6-18(29)7-5-17)15-10-21-19-8-14-28-23(33-28)22(31)11-13-26(28,3)20(19)9-12-25(21,27)2/h4-7,19-21,23H,8-15H2,1-3H3/t19?,20?,21?,23-,25+,26-,27+,28-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	6.5	37
National University of Mexico City					Assay Description The IC50 values for the synthesized steroids with human prostate 5alpha-reductase enzyme.				J Enzyme Inhib Med Chem 24: 655-62 (2009) Article DOI: 10.1080/14756360802323720 BindingDB Entry DOI: 10.7270/Q2ZK5F9G
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM92329 (Steroid, 10a) Show SMILES CC(=O)[C@]1(CCC2C3CC[C@@]45O[C@@H]4C(=O)CC[C@]5(C)C3CC[C@]12C)OC(=O)c1ccccc1 Show InChI InChI=1S/C28H34O5/c1-17(29)27(33-24(31)18-7-5-4-6-8-18)16-11-21-19-9-15-28-23(32-28)22(30)12-14-26(28,3)20(19)10-13-25(21,27)2/h4-8,19-21,23H,9-16H2,1-3H3/t19?,20?,21?,23-,25+,26-,27+,28-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	6.5	37
National University of Mexico City					Assay Description The IC50 values for the synthesized steroids with human prostate 5alpha-reductase enzyme.				J Enzyme Inhib Med Chem 24: 655-62 (2009) Article DOI: 10.1080/14756360802323720 BindingDB Entry DOI: 10.7270/Q2ZK5F9G
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM92328 (Steroid, 9b) Show SMILES CC(=O)[C@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)OC(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C28H33BrO4/c1-17(30)28(33-25(32)18-4-7-20(29)8-5-18)15-12-24-22-9-6-19-16-21(31)10-13-26(19,2)23(22)11-14-27(24,28)3/h4-5,7-8,16,22-24H,6,9-15H2,1-3H3/t22?,23?,24?,26-,27-,28-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	6.5	37
National University of Mexico City					Assay Description The IC50 values for the synthesized steroids with human prostate 5alpha-reductase enzyme.				J Enzyme Inhib Med Chem 24: 655-62 (2009) Article DOI: 10.1080/14756360802323720 BindingDB Entry DOI: 10.7270/Q2ZK5F9G
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Rattus norvegicus)	BDBM50031895 ((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...) Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC1(CCCC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H39ClN2O2/c1-28-16-12-24-22(18-32-26-17-21(34)11-15-29(24,26)2)23(28)9-10-25(28)27(35)33-30(13-3-4-14-30)19-5-7-20(31)8-6-19/h5-8,22-25H,3-4,9-18H2,1-2H3,(H,33,35)/t22?,23?,24?,25-,28+,29-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant Steroid 5-alpha-reductase type I was evaluated as binding affinity (in vitro)				J Med Chem 38: 2621-7 (1995) Article DOI: 10.1021/jm00014a015 BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50039257 ((1S,9aR,11aS)-9a,11a-Dimethyl-1-(3-methyl-butyryl)...) Show SMILES CC(C)CC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C23H35NO2/c1-14(2)11-20(26)19-6-5-17-16-13-24-21-12-15(25)7-9-23(21,4)18(16)8-10-22(17,19)3/h14,16-19H,5-13H2,1-4H3/t16?,17?,18?,19-,22+,23-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of type-2 human steroid 5-alpha-reductase.				Bioorg Med Chem Lett 6: 481-484 (1996) Article DOI: 10.1016/0960-894X(96)00054-6 BindingDB Entry DOI: 10.7270/Q2BZ661K
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Rattus norvegicus)	BDBM50031877 ((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...) Show SMILES CC(C)(C)c1ccc(cc1NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C)C(F)(F)F Show InChI InChI=1S/C30H39F3N2O2/c1-27(2,3)22-7-6-17(30(31,32)33)14-24(22)35-26(37)23-9-8-20-19-16-34-25-15-18(36)10-12-29(25,5)21(19)11-13-28(20,23)4/h6-7,14,19-21,23H,8-13,15-16H2,1-5H3,(H,35,37)/t19?,20?,21?,23-,28+,29-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant Steroid 5-alpha-reductase type I was evaluated as binding affinity of the compound				J Med Chem 38: 2621-7 (1995) Article DOI: 10.1021/jm00014a015 BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Rattus norvegicus)	BDBM50031895 ((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...) Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC1(CCCC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H39ClN2O2/c1-28-16-12-24-22(18-32-26-17-21(34)11-15-29(24,26)2)23(28)9-10-25(28)27(35)33-30(13-3-4-14-30)19-5-7-20(31)8-6-19/h5-8,22-25H,3-4,9-18H2,1-2H3,(H,33,35)/t22?,23?,24?,25-,28+,29-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibitory activity was measured on rat Steroid 5-alpha-reductase type 2				J Med Chem 38: 2621-7 (1995) Article DOI: 10.1021/jm00014a015 BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50031874 ((4aR,6aS,7S)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7...) Show SMILES C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CC[C@@H]2C(=O)Nc1c(Cl)cccc1C(F)(F)F Show InChI InChI=1S/C26H30ClF3N2O2/c1-24-12-10-16-14(6-9-20-25(16,2)13-11-21(33)31-20)15(24)7-8-18(24)23(34)32-22-17(26(28,29)30)4-3-5-19(22)27/h3-5,11,13-16,18,20H,6-10,12H2,1-2H3,(H,31,33)(H,32,34)/t14?,15?,16?,18-,20?,24+,25-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Binding affinity to recombinant human Steroid 5-alpha-reductase type I was evaluated				J Med Chem 38: 2621-7 (1995) Article DOI: 10.1021/jm00014a015 BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Rattus norvegicus)	BDBM50031877 ((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...) Show SMILES CC(C)(C)c1ccc(cc1NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C)C(F)(F)F Show InChI InChI=1S/C30H39F3N2O2/c1-27(2,3)22-7-6-17(30(31,32)33)14-24(22)35-26(37)23-9-8-20-19-16-34-25-15-18(36)10-12-29(25,5)21(19)11-13-28(20,23)4/h6-7,14,19-21,23H,8-13,15-16H2,1-5H3,(H,35,37)/t19?,20?,21?,23-,28+,29-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibitory activity was measured on rat Steroid 5-alpha-reductase type 2				J Med Chem 38: 2621-7 (1995) Article DOI: 10.1021/jm00014a015 BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50057500 ((1S,9aR,11aS)-6-Chloro-9a,11a-dimethyl-7-oxo-2,3,3...) Show SMILES C[C@]12CCC3C(CN=C4C(Cl)C(=O)CC[C@]34C)C1CC[C@@H]2C(=O)Nc1cc(ccc1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H29ClF6N2O2/c1-24-9-7-16-14(12-35-22-21(28)20(37)8-10-25(16,22)2)15(24)5-6-18(24)23(38)36-19-11-13(26(29,30)31)3-4-17(19)27(32,33)34/h3-4,11,14-16,18,21H,5-10,12H2,1-2H3,(H,36,38)/t14?,15?,16?,18-,21?,24+,25-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Binding affinity for human 5 alpha reductase 1 isozyme				J Med Chem 40: 1293-315 (1997) Article DOI: 10.1021/jm960697s BindingDB Entry DOI: 10.7270/Q2W096MN
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50057484 ((1S,9aR,11aS)-6,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4...) Show SMILES CC1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(=O)Nc4cc(ccc4C(F)(F)F)C(F)(F)F)C3CN=C12 Show InChI InChI=1S/C28H32F6N2O2/c1-14-22(37)9-11-26(3)18-8-10-25(2)17(16(18)13-35-23(14)26)6-7-20(25)24(38)36-21-12-15(27(29,30)31)4-5-19(21)28(32,33)34/h4-5,12,14,16-18,20H,6-11,13H2,1-3H3,(H,36,38)/t14?,16?,17?,18?,20-,25+,26-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Binding affinity for human 5 alpha reductase 1 isozyme				J Med Chem 40: 1293-315 (1997) Article DOI: 10.1021/jm960697s BindingDB Entry DOI: 10.7270/Q2W096MN
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50407405 (CHEMBL2115222) Show SMILES C[C@]12CC[C@H]3[C@@H](CN=C4C(Cl)C(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1c(cccc1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H29ClF6N2O2/c1-24-10-8-15-13(12-35-22-20(28)19(37)9-11-25(15,22)2)14(24)6-7-18(24)23(38)36-21-16(26(29,30)31)4-3-5-17(21)27(32,33)34/h3-5,13-15,18,20H,6-12H2,1-2H3,(H,36,38)/t13-,14-,15-,18+,20?,24-,25+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant steroid 5-alpha-reductase type I				J Med Chem 38: 2621-7 (1995) Article DOI: 10.1021/jm00014a015 BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50031883 ((1S,9aR,11aS)-6,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4...) Show SMILES CC1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(=O)Nc4c(cccc4C(F)(F)F)C(F)(F)F)C3CN=C12 Show InChI InChI=1S/C28H32F6N2O2/c1-14-21(37)10-12-26(3)17-9-11-25(2)16(15(17)13-35-23(14)26)7-8-20(25)24(38)36-22-18(27(29,30)31)5-4-6-19(22)28(32,33)34/h4-6,14-17,20H,7-13H2,1-3H3,(H,36,38)/t14?,15?,16?,17?,20-,25+,26-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant steroid 5-alpha-reductase type I				J Med Chem 38: 2621-7 (1995) Article DOI: 10.1021/jm00014a015 BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50407405 (CHEMBL2115222) Show SMILES C[C@]12CC[C@H]3[C@@H](CN=C4C(Cl)C(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1c(cccc1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H29ClF6N2O2/c1-24-10-8-15-13(12-35-22-20(28)19(37)9-11-25(15,22)2)14(24)6-7-18(24)23(38)36-21-16(26(29,30)31)4-3-5-17(21)27(32,33)34/h3-5,13-15,18,20H,6-12H2,1-2H3,(H,36,38)/t13-,14-,15-,18+,20?,24-,25+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant steroid 5-alpha-reductase type I				J Med Chem 38: 2621-7 (1995) Article DOI: 10.1021/jm00014a015 BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50043604 ((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(CC[C@]4(C)[C@H]3CC[C@]12C)C(O)=O Show InChI InChI=1S/C25H37NO3/c1-23(2,3)26-21(27)20-9-8-18-17-7-6-16-14-15(22(28)29)10-12-24(16,4)19(17)11-13-25(18,20)5/h6,14,17-20H,7-13H2,1-5H3,(H,26,27)(H,28,29)/t17-,18-,19-,20+,24-,25-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of type-2 human steroid 5-alpha-reductase.				Bioorg Med Chem Lett 6: 481-484 (1996) Article DOI: 10.1016/0960-894X(96)00054-6 BindingDB Entry DOI: 10.7270/Q2BZ661K
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50043604 ((8S,9S,10R,13S,14S,17S)-17-(tert-butylcarbamoyl)-1...) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(CC[C@]4(C)[C@H]3CC[C@]12C)C(O)=O Show InChI InChI=1S/C25H37NO3/c1-23(2,3)26-21(27)20-9-8-18-17-7-6-16-14-15(22(28)29)10-12-24(16,4)19(17)11-13-25(18,20)5/h6,14,17-20H,7-13H2,1-5H3,(H,26,27)(H,28,29)/t17-,18-,19-,20+,24-,25-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent inhibition constant towards human Steroid 5-alpha-reductase type 2				Bioorg Med Chem Lett 4: 2327-2330 (1994) Article DOI: 10.1016/0960-894X(94)85034-8 BindingDB Entry DOI: 10.7270/Q25Q4X8P
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Rattus norvegicus)	BDBM50031896 ((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...) Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)Nc1cc(ccc1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H30F6N2O2/c1-24-10-8-18-16(13-34-22-12-15(36)7-9-25(18,22)2)17(24)5-6-20(24)23(37)35-21-11-14(26(28,29)30)3-4-19(21)27(31,32)33/h3-4,11,16-18,20H,5-10,12-13H2,1-2H3,(H,35,37)/t16?,17?,18?,20-,24+,25-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant Steroid 5-alpha-reductase type I was evaluated as binding affinity of the compound				J Med Chem 38: 2621-7 (1995) Article DOI: 10.1021/jm00014a015 BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50031889 ((1S,9aR,11aS)-6,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4...) Show SMILES CC1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(=O)N(C4CCCC4)c4ccc(Cl)cc4)C3CN=C12 Show InChI InChI=1S/C31H41ClN2O2/c1-19-27(35)15-17-31(3)25-14-16-30(2)24(23(25)18-33-28(19)31)12-13-26(30)29(36)34(21-6-4-5-7-21)22-10-8-20(32)9-11-22/h8-11,19,21,23-26H,4-7,12-18H2,1-3H3/t19?,23?,24?,25?,26-,30+,31-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Binding affinity for human 5 alpha reductase 1 isozyme				J Med Chem 40: 1293-315 (1997) Article DOI: 10.1021/jm960697s BindingDB Entry DOI: 10.7270/Q2W096MN
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50031889 ((1S,9aR,11aS)-6,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4...) Show SMILES CC1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(=O)N(C4CCCC4)c4ccc(Cl)cc4)C3CN=C12 Show InChI InChI=1S/C31H41ClN2O2/c1-19-27(35)15-17-31(3)25-14-16-30(2)24(23(25)18-33-28(19)31)12-13-26(30)29(36)34(21-6-4-5-7-21)22-10-8-20(32)9-11-22/h8-11,19,21,23-26H,4-7,12-18H2,1-3H3/t19?,23?,24?,25?,26-,30+,31-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant steroid 5-alpha-reductase type I				J Med Chem 38: 2621-7 (1995) Article DOI: 10.1021/jm00014a015 BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50368883 (CHEMBL1159458) Show SMILES COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@](C)(CO)[C@@](C)(O)[C@](C)(O)[C@@]3(C)O[C@]3(C)OC(C)(C)[C@](C)(O)[C@@](C)(O)[C@H]3O)cc2O)cc1O Show InChI InChI=1S/C36H52O15/c1-29(2)34(7,44)31(4,43)27(42)33(6,50-29)51-32(5)28(49-30(3,18-37)35(8,45)36(32,9)46)48-20-16-23(40)26(24(41)17-20)21(38)13-11-19-12-14-25(47-10)22(39)15-19/h12,14-17,27-28,37,39-46H,11,13,18H2,1-10H3/t27-,28-,30-,31+,32+,33+,34+,35-,36-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against human type 1 5-alpha reductase				J Med Chem 37: 2352-60 (1994) Article DOI: 10.1021/jm00041a014 BindingDB Entry DOI: 10.7270/Q228088W
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50403606 (CHEMBL1627951) Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CCc4cc(ccc4[C@H]3CC[C@]12C)C(O)=O Show InChI InChI=1S/C24H33NO3/c1-23(2,3)25-21(26)20-10-9-19-18-8-5-14-13-15(22(27)28)6-7-16(14)17(18)11-12-24(19,20)4/h6-7,13,17-20H,5,8-12H2,1-4H3,(H,25,26)(H,27,28)/t17-,18-,19+,20-,24+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of type-2 human steroid 5-alpha-reductase.				Bioorg Med Chem Lett 6: 481-484 (1996) Article DOI: 10.1016/0960-894X(96)00054-6 BindingDB Entry DOI: 10.7270/Q2BZ661K
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50031878 ((1S,9aR,11aS)-6,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4...) Show SMILES CC1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(=O)Nc4c(cccc4C(F)(F)F)C(C)(C)C)C3CN=C12 Show InChI InChI=1S/C31H41F3N2O2/c1-17-24(37)13-15-30(6)20-12-14-29(5)19(18(20)16-35-26(17)30)10-11-23(29)27(38)36-25-21(28(2,3)4)8-7-9-22(25)31(32,33)34/h7-9,17-20,23H,10-16H2,1-6H3,(H,36,38)/t17?,18?,19?,20?,23-,29+,30-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant steroid 5-alpha-reductase type I				J Med Chem 38: 2621-7 (1995) Article DOI: 10.1021/jm00014a015 BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50031897 ((1S,9aR,11aS)-6-Chloro-9a,11a-dimethyl-7-oxo-2,3,3...) Show SMILES C[C@]12CCC3C(CN=C4C(Cl)C(=O)CC[C@]34C)C1CC[C@@H]2C(=O)N(C1CCCC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H38Cl2N2O2/c1-29-15-13-23-21(17-33-27-26(32)25(35)14-16-30(23,27)2)22(29)11-12-24(29)28(36)34(19-5-3-4-6-19)20-9-7-18(31)8-10-20/h7-10,19,21-24,26H,3-6,11-17H2,1-2H3/t21?,22?,23?,24-,26?,29+,30-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant steroid 5-alpha-reductase type I				J Med Chem 38: 2621-7 (1995) Article DOI: 10.1021/jm00014a015 BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50031897 ((1S,9aR,11aS)-6-Chloro-9a,11a-dimethyl-7-oxo-2,3,3...) Show SMILES C[C@]12CCC3C(CN=C4C(Cl)C(=O)CC[C@]34C)C1CC[C@@H]2C(=O)N(C1CCCC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C30H38Cl2N2O2/c1-29-15-13-23-21(17-33-27-26(32)25(35)14-16-30(23,27)2)22(29)11-12-24(29)28(36)34(19-5-3-4-6-19)20-9-7-18(31)8-10-20/h7-10,19,21-24,26H,3-6,11-17H2,1-2H3/t21?,22?,23?,24-,26?,29+,30-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Binding affinity for human 5 alpha reductase 1 isozyme				J Med Chem 40: 1293-315 (1997) Article DOI: 10.1021/jm960697s BindingDB Entry DOI: 10.7270/Q2W096MN
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50403324 (CHEMBL78060) Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CC=C4C=C(CC[C@]4(C)C3CC[C@]12C)P(O)O Show InChI InChI=1S/C26H42NO3P/c1-16(2)27(17(3)4)24(28)23-10-9-21-20-8-7-18-15-19(31(29)30)11-13-25(18,5)22(20)12-14-26(21,23)6/h7,15-17,20-23,29-30H,8-14H2,1-6H3/t20?,21?,22?,23-,25+,26+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent inhibition constant towards human Steroid 5-alpha-reductase type 2				Bioorg Med Chem Lett 4: 2327-2330 (1994) Article DOI: 10.1016/0960-894X(94)85034-8 BindingDB Entry DOI: 10.7270/Q25Q4X8P
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50039285 ((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...) Show SMILES CC(C)(C)NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)18-7-6-16-15-13-24-19-12-14(26)8-10-23(19,5)17(15)9-11-22(16,18)4/h15-18H,6-13H2,1-5H3,(H,25,27)/t15?,16?,17?,18-,22+,23-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of type-2 human steroid 5-alpha-reductase.				Bioorg Med Chem Lett 6: 481-484 (1996) Article DOI: 10.1016/0960-894X(96)00054-6 BindingDB Entry DOI: 10.7270/Q2BZ661K
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50039276 ((1S,9aR,11aS)-9a,11a-Dimethyl-1-nonanoyl-1,2,3,3a,...) Show SMILES CCCCCCCCC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C27H43NO2/c1-4-5-6-7-8-9-10-24(30)23-12-11-21-20-18-28-25-17-19(29)13-15-27(25,3)22(20)14-16-26(21,23)2/h20-23H,4-18H2,1-3H3/t20?,21?,22?,23-,26+,27-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against human type 1 5-alpha reductase				J Med Chem 37: 2352-60 (1994) Article DOI: 10.1021/jm00041a014 BindingDB Entry DOI: 10.7270/Q228088W
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Rattus norvegicus)	BDBM50031896 ((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...) Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)Nc1cc(ccc1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H30F6N2O2/c1-24-10-8-18-16(13-34-22-12-15(36)7-9-25(18,22)2)17(24)5-6-20(24)23(37)35-21-11-14(26(28,29)30)3-4-19(21)27(31,32)33/h3-4,11,16-18,20H,5-10,12-13H2,1-2H3,(H,35,37)/t16?,17?,18?,20-,24+,25-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibitory activity was measured on rat Steroid 5-alpha-reductase type 2				J Med Chem 38: 2621-7 (1995) Article DOI: 10.1021/jm00014a015 BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50039277 ((1S,9aR,11aS)-6,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4...) Show SMILES CC1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(=O)NC45CC6CC(CC(C6)C4)C5)C3CN=C12 Show InChI InChI=1S/C30H44N2O2/c1-17-25(33)7-9-29(3)23-6-8-28(2)22(21(23)16-31-26(17)29)4-5-24(28)27(34)32-30-13-18-10-19(14-30)12-20(11-18)15-30/h17-24H,4-16H2,1-3H3,(H,32,34)/t17?,18?,19?,20?,21?,22?,23?,24-,28+,29-,30?/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against human type 1 5-alpha reductase				J Med Chem 37: 2352-60 (1994) Article DOI: 10.1021/jm00041a014 BindingDB Entry DOI: 10.7270/Q228088W
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50403610 (CHEMBL143220) Show SMILES CC(C)(C)NC(=O)[C@H]1CCC2C3CCC4C=C(CC[C@]4(C)C3CC[C@]12C)P(=O)=O Show InChI InChI=1S/C24H38NO3P/c1-22(2,3)25-21(26)20-9-8-18-17-7-6-15-14-16(29(27)28)10-12-23(15,4)19(17)11-13-24(18,20)5/h14-15,17-20H,6-13H2,1-5H3,(H,25,26)/t15?,17?,18?,19?,20-,23+,24+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of type-2 human steroid 5-alpha-reductase.				Bioorg Med Chem Lett 6: 481-484 (1996) Article DOI: 10.1016/0960-894X(96)00054-6 BindingDB Entry DOI: 10.7270/Q2BZ661K
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50031903 ((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...) Show SMILES CC(C)(C)c1ccc(cc1)-c1ccc(c(NC(=O)[C@H]2CCC3C4CN=C5CC(=O)CC[C@]5(C)C4CC[C@]23C)c1)C(C)(C)C Show InChI InChI=1S/C39H52N2O2/c1-36(2,3)26-12-9-24(10-13-26)25-11-14-31(37(4,5)6)33(21-25)41-35(43)32-16-15-29-28-23-40-34-22-27(42)17-19-39(34,8)30(28)18-20-38(29,32)7/h9-14,21,28-30,32H,15-20,22-23H2,1-8H3,(H,41,43)/t28?,29?,30?,32-,38+,39-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant steroid 5-alpha-reductase type I				J Med Chem 38: 2621-7 (1995) Article DOI: 10.1021/jm00014a015 BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50031879 ((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...) Show SMILES CC(C)(C)c1ccc(cc1)C1(CCCCC1)NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C35H50N2O2/c1-32(2,3)23-9-11-24(12-10-23)35(17-7-6-8-18-35)37-31(39)29-14-13-27-26-22-36-30-21-25(38)15-19-34(30,5)28(26)16-20-33(27,29)4/h9-12,26-29H,6-8,13-22H2,1-5H3,(H,37,39)/t26?,27?,28?,29-,33+,34-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant steroid 5-alpha-reductase type I				J Med Chem 38: 2621-7 (1995) Article DOI: 10.1021/jm00014a015 BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Rattus norvegicus)	BDBM50025450 (CHEMBL1790294 | Sodium; 1,4a,6a-trimethyl-2-oxo-he...) Show SMILES [Na+].CC([C@H]1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C([O-])=O Show InChI InChI=1S/C22H35NO3.Na/c1-13(20(25)26)15-6-7-16-14-5-8-18-22(3,12-10-19(24)23(18)4)17(14)9-11-21(15,16)2;/h13-18H,5-12H2,1-4H3,(H,25,26);/q;+1/p-1/t13?,14-,15+,16-,17-,18?,21+,22+;/m0./s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent inhibitory constant value for rat prostatic steroid 5-alpha reductase was determined				J Med Chem 29: 2298-315 (1986) Article DOI: 10.1021/jm00161a028 BindingDB Entry DOI: 10.7270/Q2XG9RQR
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (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 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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank Article	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent inhibition constant towards human Steroid 5-alpha-reductase type 2				Bioorg Med Chem Lett 4: 2327-2330 (1994) Article DOI: 10.1016/0960-894X(94)85034-8 BindingDB Entry DOI: 10.7270/Q25Q4X8P
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50213061 (CHEMBL2298601) Show SMILES CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C Show InChI InChI=1S/C24H40N2O2/c1-6-26(7-2)22(28)19-10-9-17-16-8-11-20-24(4,15-13-21(27)25(20)5)18(16)12-14-23(17,19)3/h16-20H,6-15H2,1-5H3/t16-,17-,18-,19+,20+,23-,24+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of type-2 human steroid 5-alpha-reductase.				Bioorg Med Chem Lett 6: 481-484 (1996) Article DOI: 10.1016/0960-894X(96)00054-6 BindingDB Entry DOI: 10.7270/Q2BZ661K
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50092485 (4-methyl-8-chloro-1,2,5,6-tetrahydro pyrido[1,2-a]...) Show SMILES CC1=C2CCc3cc(Cl)ccc3N2CCC1=O Show InChI InChI=1S/C14H14ClNO/c1-9-12-4-2-10-8-11(15)3-5-13(10)16(12)7-6-14(9)17/h3,5,8H,2,4,6-7H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Inhibition constant against recombinant Steroid 5-alpha-reductase type I expressed in CHO cells				J Med Chem 43: 3718-35 (2000) Article DOI: 10.1021/jm000945r BindingDB Entry DOI: 10.7270/Q25B036J
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50031875 ((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...) Show SMILES CC(C)(C)c1ccc(cc1)C1(CCCC1)NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C34H48N2O2/c1-31(2,3)22-8-10-23(11-9-22)34(16-6-7-17-34)36-30(38)28-13-12-26-25-21-35-29-20-24(37)14-18-33(29,5)27(25)15-19-32(26,28)4/h8-11,25-28H,6-7,12-21H2,1-5H3,(H,36,38)/t25?,26?,27?,28-,32+,33-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant steroid 5-alpha-reductase type I				J Med Chem 38: 2621-7 (1995) Article DOI: 10.1021/jm00014a015 BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50213061 (CHEMBL2298601) Show SMILES CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C Show InChI InChI=1S/C24H40N2O2/c1-6-26(7-2)22(28)19-10-9-17-16-8-11-20-24(4,15-13-21(27)25(20)5)18(16)12-14-23(17,19)3/h16-20H,6-15H2,1-5H3/t16-,17-,18-,19+,20+,23-,24+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of type-1 human steroid 5-alpha-reductase				Bioorg Med Chem Lett 6: 481-484 (1996) Article DOI: 10.1016/0960-894X(96)00054-6 BindingDB Entry DOI: 10.7270/Q2BZ661K
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50031893 ((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...) Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)NC1(CCCCC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C31H41ClN2O2/c1-29-17-13-25-23(19-33-27-18-22(35)12-16-30(25,27)2)24(29)10-11-26(29)28(36)34-31(14-4-3-5-15-31)20-6-8-21(32)9-7-20/h6-9,23-26H,3-5,10-19H2,1-2H3,(H,34,36)/t23?,24?,25?,26-,29+,30-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant steroid 5-alpha-reductase type I				J Med Chem 38: 2621-7 (1995) Article DOI: 10.1021/jm00014a015 BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50039315 ((1S,9aR,11aS)-5,9a,11a-Trimethyl-1-(3-methyl-butyr...) Show SMILES CC(C)CC(=O)[C@H]1CCC2C3CN(C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C24H37NO2/c1-15(2)12-21(27)20-7-6-18-17-14-25(5)22-13-16(26)8-10-24(22,4)19(17)9-11-23(18,20)3/h13,15,17-20H,6-12,14H2,1-5H3/t17?,18?,19?,20-,23+,24-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against human type 1 5-alpha reductase				J Med Chem 37: 2352-60 (1994) Article DOI: 10.1021/jm00041a014 BindingDB Entry DOI: 10.7270/Q228088W
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50039273 ((1S,9aR,11aS)-6-Bromo-9a,11a-dimethyl-1-(3-methyl-...) Show SMILES CC(C)CC(=O)[C@H]1CCC2C3CN=C4C(Br)C(=O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C23H34BrNO2/c1-13(2)11-19(27)17-6-5-15-14-12-25-21-20(24)18(26)8-10-23(21,4)16(14)7-9-22(15,17)3/h13-17,20H,5-12H2,1-4H3/t14?,15?,16?,17-,20?,22+,23-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against human type 1 5-alpha reductase				J Med Chem 37: 2352-60 (1994) Article DOI: 10.1021/jm00041a014 BindingDB Entry DOI: 10.7270/Q228088W
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50031887 ((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...) Show SMILES CC(C)(C)c1ccc(cc1NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C)-c1ccc(Cl)cc1 Show InChI InChI=1S/C35H43ClN2O2/c1-33(2,3)28-11-8-22(21-6-9-23(36)10-7-21)18-30(28)38-32(40)29-13-12-26-25-20-37-31-19-24(39)14-16-35(31,5)27(25)15-17-34(26,29)4/h6-11,18,25-27,29H,12-17,19-20H2,1-5H3,(H,38,40)/t25?,26?,27?,29-,34+,35-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant steroid 5-alpha-reductase type I				J Med Chem 38: 2621-7 (1995) Article DOI: 10.1021/jm00014a015 BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50031898 ((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...) Show SMILES CC(C)(C)c1ccc(cc1)C1(CCCCCC1)NC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C36H52N2O2/c1-33(2,3)24-10-12-25(13-11-24)36(18-8-6-7-9-19-36)38-32(40)30-15-14-28-27-23-37-31-22-26(39)16-20-35(31,5)29(27)17-21-34(28,30)4/h10-13,27-30H,6-9,14-23H2,1-5H3,(H,38,40)/t27?,28?,29?,30-,34+,35-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant steroid 5-alpha-reductase type I				J Med Chem 38: 2621-7 (1995) Article DOI: 10.1021/jm00014a015 BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50039316 ((1S,9aR,11aS)-6,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4...) Show SMILES CC1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(=O)NC(c4ccccc4)c4ccccc4)C3CN=C12 Show InChI InChI=1S/C33H40N2O2/c1-21-28(36)17-19-33(3)26-16-18-32(2)25(24(26)20-34-30(21)33)14-15-27(32)31(37)35-29(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,21,24-27,29H,14-20H2,1-3H3,(H,35,37)/t21?,24?,25?,26?,27-,32+,33-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against human type 1 5-alpha reductase				J Med Chem 37: 2352-60 (1994) Article DOI: 10.1021/jm00041a014 BindingDB Entry DOI: 10.7270/Q228088W
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50368782 (Bexlosteride | CHEMBL24955 | LY-191704) Show SMILES CN1[C@@H]2CCc3cc(Cl)ccc3[C@H]2CCC1=O Show InChI InChI=1S/C14H16ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3/t12-,13-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of recombinant human Steroid 5-alpha-reductase type I				Bioorg Med Chem Lett 4: 1365-1368 (1994) Article DOI: 10.1016/S0960-894X(01)80363-2 BindingDB Entry DOI: 10.7270/Q26M381K
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50368782 (Bexlosteride | CHEMBL24955 | LY-191704) Show SMILES CN1[C@@H]2CCc3cc(Cl)ccc3[C@H]2CCC1=O Show InChI InChI=1S/C14H16ClNO/c1-16-13-6-2-9-8-10(15)3-4-11(9)12(13)5-7-14(16)17/h3-4,8,12-13H,2,5-7H2,1H3/t12-,13-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of recombinant human Steroid 5-alpha-reductase type I				Bioorg Med Chem Lett 4: 1365-1368 (1994) Article DOI: 10.1016/S0960-894X(01)80363-2 BindingDB Entry DOI: 10.7270/Q26M381K
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50031896 ((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...) Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)Nc1cc(ccc1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H30F6N2O2/c1-24-10-8-18-16(13-34-22-12-15(36)7-9-25(18,22)2)17(24)5-6-20(24)23(37)35-21-11-14(26(28,29)30)3-4-19(21)27(31,32)33/h3-4,11,16-18,20H,5-10,12-13H2,1-2H3,(H,35,37)/t16?,17?,18?,20-,24+,25-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant steroid 5-alpha-reductase type I				J Med Chem 38: 2621-7 (1995) Article DOI: 10.1021/jm00014a015 BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50039299 ((1S,9aR,11aS)-1-(2-Cyclohexyl-acetyl)-9a,11a-dimet...) Show SMILES C[C@]12CCC3C(CN=C4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)CC1CCCCC1 Show InChI InChI=1S/C26H39NO2/c1-25-13-11-21-19(16-27-24-15-18(28)10-12-26(21,24)2)20(25)8-9-22(25)23(29)14-17-6-4-3-5-7-17/h17,19-22H,3-16H2,1-2H3/t19?,20?,21?,22-,25+,26-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against human type 1 5-alpha reductase				J Med Chem 37: 2352-60 (1994) Article DOI: 10.1021/jm00041a014 BindingDB Entry DOI: 10.7270/Q228088W
					More data for this Ligand-Target Pair

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