Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with Target = '3-oxo-5-alpha-steroid 4-dehydrogenase 2' AND taxid = 10116   

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
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (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 |t:7| 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	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) BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (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 |t:20| 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	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) BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (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 |t:7| 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	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) BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Rattus norvegicus)	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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	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 on rat 5-alpha reductase-2 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
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Rattus norvegicus)	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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	0.280	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) BindingDB Entry DOI: 10.7270/Q2C829XC
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Rattus norvegicus)	BDBM50589275 (CHEMBL5190333) Show SMILES [H][C@@]12CC(C=O)=C(n3cnc4ccccc34)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OC(=O)C1CC1 |r,t:5,29| Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116882 BindingDB Entry DOI: 10.7270/Q2FR01JT
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Rattus norvegicus)	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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of Steroid 5-alpha-reductase type 2 of rat ventral prostate (RVP)				J Med Chem 45: 3406-17 (2002) BindingDB Entry DOI: 10.7270/Q2T43TT8
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Rattus norvegicus)	BDBM50517901 (CHEMBL4540042) Show SMILES [H][C@@]12CC[C@H](C(=O)NC(C)(c3ccccc3)C(F)(F)F)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C |r,c:38| Show InChI InChI=1S/C28H35F3N2O2/c1-25-15-13-20-18(9-12-22-26(20,2)16-14-23(34)32-22)19(25)10-11-21(25)24(35)33-27(3,28(29,30)31)17-7-5-4-6-8-17/h4-8,14,16,18-22H,9-13,15H2,1-3H3,(H,32,34)(H,33,35)/t18-,19-,20-,21+,22+,25-,26+,27?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of type 2 5alpha reductase in rat prostate				J Med Chem 61: 5822-5880 (2018) Article DOI: 10.1021/acs.jmedchem.7b01788 BindingDB Entry DOI: 10.7270/Q232008T
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Rattus norvegicus)	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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of type 2 5alpha reductase in rat prostate				J Med Chem 61: 5822-5880 (2018) Article DOI: 10.1021/acs.jmedchem.7b01788 BindingDB Entry DOI: 10.7270/Q232008T
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Rattus norvegicus)	BDBM50517880 (CHEMBL4569322) Show SMILES [H][C@@]12CC[C@H](C(=O)NC(c3ccccc3)(C(F)(F)F)C(F)(F)F)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C |r,c:41| Show InChI InChI=1S/C28H32F6N2O2/c1-24-14-12-19-17(8-11-21-25(19,2)15-13-22(37)35-21)18(24)9-10-20(24)23(38)36-26(27(29,30)31,28(32,33)34)16-6-4-3-5-7-16/h3-7,13,15,17-21H,8-12,14H2,1-2H3,(H,35,37)(H,36,38)/t17-,18-,19-,20+,21+,24-,25+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of type 2 5alpha reductase in rat prostate				J Med Chem 61: 5822-5880 (2018) Article DOI: 10.1021/acs.jmedchem.7b01788 BindingDB Entry DOI: 10.7270/Q232008T
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Rattus norvegicus)	BDBM50116424 (CHEMBL115438 | {4-[1-(2,2-Dicyclohexyl-acetyl)-pip...) Show SMILES [#8]-[#6](=O)-[#6]-c1ccc(\[#6]=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6](-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)c(F)c1 Show InChI InChI=1S/C28H38FNO3/c29-25-18-21(19-26(31)32)11-12-24(25)17-20-13-15-30(16-14-20)28(33)27(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h11-12,17-18,22-23,27H,1-10,13-16,19H2,(H,31,32)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of Steroid 5-alpha-reductase type 2 of rat ventral prostate (RVP)				J Med Chem 45: 3406-17 (2002) BindingDB Entry DOI: 10.7270/Q2T43TT8
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Rattus norvegicus)	BDBM50116429 (4-[1-(2,2-Dicyclohexyl-acetyl)-piperidin-4-ylidene...) Show SMILES [#8]-[#6](=O)-c1ccc(\[#6]=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6](-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C27H37NO3/c29-26(25(22-7-3-1-4-8-22)23-9-5-2-6-10-23)28-17-15-21(16-18-28)19-20-11-13-24(14-12-20)27(30)31/h11-14,19,22-23,25H,1-10,15-18H2,(H,30,31)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of Steroid 5-alpha-reductase type 2 of rat ventral prostate (RVP)				J Med Chem 45: 3406-17 (2002) BindingDB Entry DOI: 10.7270/Q2T43TT8
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Rattus norvegicus)	BDBM50344122 ((N-tert-butyl-N-((4aR,4bS,6aS,7S,9aS,9bS)-4a,6a-di...) Show SMILES CC(C)(C)N(C(=O)C1CSCN1C(=O)C1CCC(=O)N1)C(=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:35| Show InChI InChI=1S/C32H46N4O5S/c1-30(2,3)36(29(41)23-16-42-17-35(23)28(40)22-9-11-25(37)33-22)27(39)21-8-7-19-18-6-10-24-32(5,15-13-26(38)34-24)20(18)12-14-31(19,21)4/h13,15,18-24H,6-12,14,16-17H2,1-5H3,(H,33,37)(H,34,38)/t18-,19-,20-,21+,22?,23?,24+,31-,32+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	88.0	n/a	n/a	n/a	n/a	n/a	n/a
Jilin University Curated by ChEMBL					Assay Description Inhibition of rat 5-alpha-reductase type 2 by Lineweaver-Burk plot				Bioorg Med Chem Lett 21: 3439-42 (2011) Article DOI: 10.1016/j.bmcl.2011.03.102 BindingDB Entry DOI: 10.7270/Q2B56K2N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Rattus norvegicus)	BDBM50462940 (CHEMBL4244937) Show SMILES [H][C@@]12CC(C=O)=C(n3cnc4ccccc34)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:5,29| Show InChI InChI=1S/C27H32N2O2/c1-26-11-9-19(31)14-18(26)7-8-20-21(26)10-12-27(2)22(20)13-17(15-30)25(27)29-16-28-23-5-3-4-6-24(23)29/h3-7,15-16,19-22,31H,8-14H2,1-2H3/t19-,20+,21-,22-,26-,27-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116882 BindingDB Entry DOI: 10.7270/Q2FR01JT
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Rattus norvegicus)	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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
Jilin University Curated by ChEMBL					Assay Description Inhibition of rat 5-alpha-reductase type 2 by Lineweaver-Burk plot				Bioorg Med Chem Lett 21: 3439-42 (2011) Article DOI: 10.1016/j.bmcl.2011.03.102 BindingDB Entry DOI: 10.7270/Q2B56K2N
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Rattus norvegicus)	BDBM50057482 (4-(2-{4-[(S)-1-(4-Isobutyl-phenyl)-ethoxy]-2,3-dim...) Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)Oc1ccc(C(=O)Nc2ccccc2OCCCC(O)=O)c(C)c1C Show InChI InChI=1S/C31H37NO5/c1-20(2)19-24-12-14-25(15-13-24)23(5)37-28-17-16-26(21(3)22(28)4)31(35)32-27-9-6-7-10-29(27)36-18-8-11-30(33)34/h6-7,9-10,12-17,20,23H,8,11,18-19H2,1-5H3,(H,32,35)(H,33,34)/t23-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibitory activity against type 1 5-alpha reductase Isozyme homogenated from rat epididymis				J Med Chem 39: 5047-52 (1997) Article DOI: 10.1021/jm9601819 BindingDB Entry DOI: 10.7270/Q2TQ6263
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Rattus norvegicus)	BDBM50032297 (4-[2-((E)-3-{1-[Bis-(4-fluoro-phenyl)-methyl]-1H-i...) Show SMILES C\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(ccc2c1)C(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C35H30F2N2O4/c1-23(21-33(40)38-30-5-2-3-6-32(30)43-20-4-7-34(41)42)26-12-17-31-27(22-26)18-19-39(31)35(24-8-13-28(36)14-9-24)25-10-15-29(37)16-11-25/h2-3,5-6,8-19,21-22,35H,4,7,20H2,1H3,(H,38,40)(H,41,42)/b23-21+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibitory activity against type 2 5-alpha reductase isozyme homogenated from rat epididymis				J Med Chem 39: 5047-52 (1997) Article DOI: 10.1021/jm9601819 BindingDB Entry DOI: 10.7270/Q2TQ6263
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Rattus norvegicus)	BDBM50055150 (4-[2-((E)-3-{1-[Bis-(4-fluoro-phenyl)-methyl]-1H-i...) Show SMILES CC\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(ccc2c1)C(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C36H32F2N2O4/c1-2-24(23-34(41)39-31-6-3-4-7-33(31)44-21-5-8-35(42)43)27-13-18-32-28(22-27)19-20-40(32)36(25-9-14-29(37)15-10-25)26-11-16-30(38)17-12-26/h3-4,6-7,9-20,22-23,36H,2,5,8,21H2,1H3,(H,39,41)(H,42,43)/b24-23+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibitory activity against type 2 5-alpha reductase Isozyme homogenated from rat epididymis				J Med Chem 39: 5047-52 (1997) Article DOI: 10.1021/jm9601819 BindingDB Entry DOI: 10.7270/Q2TQ6263
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Rattus norvegicus)	BDBM50116423 (4-(1-Diphenylacetyl-piperidin-4-ylidenemethyl)-ben...) Show SMILES [#8]-[#6](=O)-c1ccc(\[#6]=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6](-c2ccccc2)-c2ccccc2)cc1 Show InChI InChI=1S/C27H25NO3/c29-26(25(22-7-3-1-4-8-22)23-9-5-2-6-10-23)28-17-15-21(16-18-28)19-20-11-13-24(14-12-20)27(30)31/h1-14,19,25H,15-18H2,(H,30,31)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of Steroid 5-alpha-reductase type 2 of rat ventral prostate (RVP)				J Med Chem 45: 3406-17 (2002) BindingDB Entry DOI: 10.7270/Q2T43TT8
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Rattus norvegicus)	BDBM50116417 (4-(1-Diphenylcarbamoyl-piperidin-4-ylidenemethyl)-...) Show SMILES [#8]-[#6](=O)-c1ccc(\[#6]=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7](-c2ccccc2)-c2ccccc2)cc1 Show InChI InChI=1S/C26H24N2O3/c29-25(30)22-13-11-20(12-14-22)19-21-15-17-27(18-16-21)26(31)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,19H,15-18H2,(H,29,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of Steroid 5-alpha-reductase type 2 of rat ventral prostate (RVP)				J Med Chem 45: 3406-17 (2002) BindingDB Entry DOI: 10.7270/Q2T43TT8
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Rattus norvegicus)	BDBM50055148 (4-(2-{(E)-3-[1-(1-Propyl-butyl)-1H-indol-5-yl]-pen...) Show SMILES CCCC(CCC)n1ccc2cc(ccc12)C(\CC)=C\C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C30H38N2O4/c1-4-10-25(11-5-2)32-18-17-24-20-23(15-16-27(24)32)22(6-3)21-29(33)31-26-12-7-8-13-28(26)36-19-9-14-30(34)35/h7-8,12-13,15-18,20-21,25H,4-6,9-11,14,19H2,1-3H3,(H,31,33)(H,34,35)/b22-21+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibitory activity against type 2 5-alpha reductase Isozyme homogenated from rat epididymis				J Med Chem 39: 5047-52 (1997) Article DOI: 10.1021/jm9601819 BindingDB Entry DOI: 10.7270/Q2TQ6263
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Rattus norvegicus)	BDBM50116422 (4-[1-(3,3-Diphenyl-propionyl)-piperidin-4-ylidenem...) Show SMILES [#8]-[#6](=O)-c1ccc(\[#6]=[#6]-2/[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6](-c2ccccc2)-c2ccccc2)cc1 Show InChI InChI=1S/C28H27NO3/c30-27(20-26(23-7-3-1-4-8-23)24-9-5-2-6-10-24)29-17-15-22(16-18-29)19-21-11-13-25(14-12-21)28(31)32/h1-14,19,26H,15-18,20H2,(H,31,32)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of Steroid 5-alpha-reductase type 2 of rat ventral prostate (RVP)				J Med Chem 45: 3406-17 (2002) BindingDB Entry DOI: 10.7270/Q2T43TT8
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Rattus norvegicus)	BDBM50116428 (4-(1-Diphenylacetyl-piperidin-4-ylidenemethyl)-3-m...) Show SMILES [#6]-[#8]-c1cc(ccc1\[#6]=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](-[#8])=O Show InChI InChI=1S/C28H27NO4/c1-33-25-19-24(28(31)32)13-12-23(25)18-20-14-16-29(17-15-20)27(30)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18-19,26H,14-17H2,1H3,(H,31,32)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of Steroid 5-alpha-reductase type 2 of rat ventral prostate (RVP)				J Med Chem 45: 3406-17 (2002) BindingDB Entry DOI: 10.7270/Q2T43TT8
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Rattus norvegicus)	BDBM50116432 (4-(1-Diphenylacetyl-piperidin-4-ylidenemethyl)-3-f...) Show SMILES [#8]-[#6](=O)-c1ccc(\[#6]=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6](-c2ccccc2)-c2ccccc2)c(F)c1 Show InChI InChI=1S/C27H24FNO3/c28-24-18-23(27(31)32)12-11-22(24)17-19-13-15-29(16-14-19)26(30)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,17-18,25H,13-16H2,(H,31,32)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of Steroid 5-alpha-reductase type 2 of rat ventral prostate (RVP)				J Med Chem 45: 3406-17 (2002) BindingDB Entry DOI: 10.7270/Q2T43TT8
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Rattus norvegicus)	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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibitory activity against type 2 5-alpha reductase Isozyme homogenated from rat epididymis				J Med Chem 39: 5047-52 (1997) Article DOI: 10.1021/jm9601819 BindingDB Entry DOI: 10.7270/Q2TQ6263
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Rattus norvegicus)	BDBM50116426 (4-[1-(Adamantane-1-carbonyl)-piperidin-4-ylideneme...) Show SMILES [#8]-[#6](=O)-c1ccc(\[#6]=[#6]-2/[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)C23[#6]-[#6]-4-[#6]-[#6](-[#6]-[#6](-[#6]-4)-[#6]2)-[#6]3)cc1 |TLB:19:20:24:17.18.23,23:22:25:17.18.19,23:18:25:24.22.21,THB:19:18:24:25.20.21| Show InChI InChI=1S/C24H29NO3/c26-22(27)21-3-1-16(2-4-21)9-17-5-7-25(8-6-17)23(28)24-13-18-10-19(14-24)12-20(11-18)15-24/h1-4,9,18-20H,5-8,10-15H2,(H,26,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of Steroid 5-alpha-reductase type 2 of rat ventral prostate (RVP)				J Med Chem 45: 3406-17 (2002) BindingDB Entry DOI: 10.7270/Q2T43TT8
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Rattus norvegicus)	BDBM50116419 (4-[1-(2,2-Dicyclohexyl-acetyl)-piperidin-4-ylidene...) Show SMILES [#8]-[#6](=O)-c1ccc(\[#6]=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6](-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)c(F)c1 Show InChI InChI=1S/C27H36FNO3/c28-24-18-23(27(31)32)12-11-22(24)17-19-13-15-29(16-14-19)26(30)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h11-12,17-18,20-21,25H,1-10,13-16H2,(H,31,32)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of Steroid 5-alpha-reductase type 2 of rat ventral prostate (RVP)				J Med Chem 45: 3406-17 (2002) BindingDB Entry DOI: 10.7270/Q2T43TT8
					More data for this Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 2 (Rattus norvegicus)	BDBM50116416 (4-[1-(Adamantane-1-carbonyl)-piperidin-4-ylideneme...) Show SMILES [#8]-[#6](=O)-c1ccc(\[#6]=[#6]-2/[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)C23[#6]-[#6]-4-[#6]-[#6](-[#6]-[#6](-[#6]-4)-[#6]2)-[#6]3)c(F)c1 |TLB:23:18:25:24.22.21,23:22:25:17.18.19,THB:21:20:17:24.22.23,21:22:17:25.20.19| Show InChI InChI=1S/C24H28FNO3/c25-21-11-20(22(27)28)2-1-19(21)10-15-3-5-26(6-4-15)23(29)24-12-16-7-17(13-24)9-18(8-16)14-24/h1-2,10-11,16-18H,3-9,12-14H2,(H,27,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of Steroid 5-alpha-reductase type 2 of rat ventral prostate (RVP)				J Med Chem 45: 3406-17 (2002) BindingDB Entry DOI: 10.7270/Q2T43TT8
					More data for this Ligand-Target Pair