Compile Data Set for Download or QSAR
Found 15 Enz. Inhib. hit(s) with all data for entry = 50048460
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1/2(Rattus norvegicus)
Zeria Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50215529(CHEMBL39419)
Show SMILES CCOc1ccccc1N1CCN(CCCOc2cc(ccc2OCc2ccc(C)cc2)C(=O)c2cn(CCCC(O)=O)c3ccccc23)CC1
Show InChI InChI=1S/C42H47N3O6/c1-3-49-38-13-7-6-12-37(38)44-25-23-43(24-26-44)21-9-27-50-40-28-33(19-20-39(40)51-30-32-17-15-31(2)16-18-32)42(48)35-29-45(22-8-14-41(46)47)36-11-5-4-10-34(35)36/h4-7,10-13,15-20,28-29H,3,8-9,14,21-27,30H2,1-2H3,(H,46,47)
Affinity DataIC50: 1.5nMAssay Description:Inhibition of Steroid 5-alpha-reductase from Dawley rat prostateMore data for this Ligand-Target Pair
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1/2(Rattus norvegicus)
Zeria Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50215480(CHEMBL289613)
Show SMILES COc1ccccc1N1CCN(CCCCOc2cc(ccc2OCc2ccc(C)cc2)C(=O)c2cn(CCCC(O)=O)c3ccccc23)CC1
Show InChI InChI=1S/C42H47N3O6/c1-31-15-17-32(18-16-31)30-51-39-20-19-33(42(48)35-29-45(22-9-14-41(46)47)36-11-4-3-10-34(35)36)28-40(39)50-27-8-7-21-43-23-25-44(26-24-43)37-12-5-6-13-38(37)49-2/h3-6,10-13,15-20,28-29H,7-9,14,21-27,30H2,1-2H3,(H,46,47)
Affinity DataIC50: 1.5nMAssay Description:Inhibition of Steroid 5-alpha-reductase from Dawley rat prostateMore data for this Ligand-Target Pair
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1/2(Rattus norvegicus)
Zeria Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50057482(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
Affinity DataIC50: 2.60nMAssay Description:Inhibition of Steroid 5-alpha-reductase from Dawley rat prostateMore data for this Ligand-Target Pair
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1/2(Rattus norvegicus)
Zeria Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50215478(CHEMBL289397)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCCOc2cc(ccc2OCc2ccc(C)cc2)C(=O)c2cn(CCCC(O)=O)c3ccccc23)CC1
Show InChI InChI=1S/C43H49N3O6/c1-31(2)52-39-13-7-6-12-38(39)45-25-23-44(24-26-45)21-9-27-50-41-28-34(19-20-40(41)51-30-33-17-15-32(3)16-18-33)43(49)36-29-46(22-8-14-42(47)48)37-11-5-4-10-35(36)37/h4-7,10-13,15-20,28-29,31H,8-9,14,21-27,30H2,1-3H3,(H,47,48)
Affinity DataIC50: 2.90nMAssay Description:Inhibition of Steroid 5-alpha-reductase from Dawley rat prostateMore data for this Ligand-Target Pair
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1/2(Rattus norvegicus)
Zeria Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50215474(CHEMBL41413)
Show SMILES CCCOc1ccccc1N1CCN(CCCOc2cc(ccc2OCc2ccc(C)cc2)C(=O)c2cn(CCCC(O)=O)c3ccccc23)CC1
Show InChI InChI=1S/C43H49N3O6/c1-3-27-50-39-13-7-6-12-38(39)45-25-23-44(24-26-45)21-9-28-51-41-29-34(19-20-40(41)52-31-33-17-15-32(2)16-18-33)43(49)36-30-46(22-8-14-42(47)48)37-11-5-4-10-35(36)37/h4-7,10-13,15-20,29-30H,3,8-9,14,21-28,31H2,1-2H3,(H,47,48)
Affinity DataIC50: 3nMAssay Description:Inhibition of Steroid 5-alpha-reductase from Dawley rat prostateMore data for this Ligand-Target Pair
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1/2(Rattus norvegicus)
Zeria Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50215475(CHEMBL287716)
Show SMILES COc1ccccc1N1CCN(CCCOc2cc(ccc2OCc2ccc(C)cc2)C(=O)c2cn(CCCC(O)=O)c3ccccc23)CC1
Show InChI InChI=1S/C41H45N3O6/c1-30-14-16-31(17-15-30)29-50-38-19-18-32(41(47)34-28-44(21-7-13-40(45)46)35-10-4-3-9-33(34)35)27-39(38)49-26-8-20-42-22-24-43(25-23-42)36-11-5-6-12-37(36)48-2/h3-6,9-12,14-19,27-28H,7-8,13,20-26,29H2,1-2H3,(H,45,46)
Affinity DataIC50: 3.5nMAssay Description:Inhibition of Steroid 5-alpha-reductase from Dawley rat prostateMore data for this Ligand-Target Pair
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1/2(Rattus norvegicus)
Zeria Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50215461(CHEMBL39559)
Show SMILES CCc1ccc(COc2ccc(cc2OCCCN2CCN(CC2)c2ccccc2OC)C(=O)c2cn(CCCC(O)=O)c3ccccc23)cc1
Show InChI InChI=1S/C42H47N3O6/c1-3-31-15-17-32(18-16-31)30-51-39-20-19-33(42(48)35-29-45(22-8-14-41(46)47)36-11-5-4-10-34(35)36)28-40(39)50-27-9-21-43-23-25-44(26-24-43)37-12-6-7-13-38(37)49-2/h4-7,10-13,15-20,28-29H,3,8-9,14,21-27,30H2,1-2H3,(H,46,47)
Affinity DataIC50: 4nMAssay Description:Inhibition of Steroid 5-alpha-reductase from Dawley rat prostateMore data for this Ligand-Target Pair
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1/2(Rattus norvegicus)
Zeria Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50057477(4-(3-{3-[(4-Isobutyl-benzyl)-(4-isobutyl-phenyl)-a...)
Show SMILES CC(C)Cc1ccc(cc1)C(Nc1cccc(c1)C(=O)c1cn(CCCC(O)=O)c2ccccc12)c1ccc(CC(C)C)cc1
Show InChI InChI=1S/C40H44N2O3/c1-27(2)23-29-14-18-31(19-15-29)39(32-20-16-30(17-21-32)24-28(3)4)41-34-10-7-9-33(25-34)40(45)36-26-42(22-8-13-38(43)44)37-12-6-5-11-35(36)37/h5-7,9-12,14-21,25-28,39,41H,8,13,22-24H2,1-4H3,(H,43,44)
Affinity DataIC50: 4.20nMAssay Description:Inhibition of Steroid 5-alpha-reductase from Dawley rat prostateMore data for this Ligand-Target Pair
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1/2(Rattus norvegicus)
Zeria Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50215530(CHEMBL40847)
Show SMILES COc1ccccc1N1CCN(CCOc2cc(ccc2OCc2ccc(C)cc2)C(=O)c2cn(CCCC(O)=O)c3ccccc23)CC1
Show InChI InChI=1S/C40H43N3O6/c1-29-13-15-30(16-14-29)28-49-37-18-17-31(40(46)33-27-43(19-7-12-39(44)45)34-9-4-3-8-32(33)34)26-38(37)48-25-24-41-20-22-42(23-21-41)35-10-5-6-11-36(35)47-2/h3-6,8-11,13-18,26-27H,7,12,19-25,28H2,1-2H3,(H,44,45)
Affinity DataIC50: 4.80nMAssay Description:Inhibition of Steroid 5-alpha-reductase from Dawley rat prostateMore data for this Ligand-Target Pair
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1/2(Rattus norvegicus)
Zeria Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50215473(CHEMBL36927)
Show SMILES COc1ccccc1N1CCN(CCCOc2cc(ccc2OCc2ccccc2)C(=O)c2cn(CCCC(O)=O)c3ccccc23)CC1
Show InChI InChI=1S/C40H43N3O6/c1-47-36-16-8-7-15-35(36)42-24-22-41(23-25-42)20-10-26-48-38-27-31(18-19-37(38)49-29-30-11-3-2-4-12-30)40(46)33-28-43(21-9-17-39(44)45)34-14-6-5-13-32(33)34/h2-8,11-16,18-19,27-28H,9-10,17,20-26,29H2,1H3,(H,44,45)
Affinity DataIC50: 11nMAssay Description:Inhibition of Steroid 5-alpha-reductase from Dawley rat prostateMore data for this Ligand-Target Pair
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1/2(Rattus norvegicus)
Zeria Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50214635(CHEMBL41685)
Show SMILES COc1ccccc1N1CCN(CCC(Oc2ccc(cc2)C(=O)Nc2ccccc2OCCCC(O)=O)c2ccc(C)cc2)CC1
Show InChI InChI=1S/C38H43N3O6/c1-28-13-15-29(16-14-28)34(21-22-40-23-25-41(26-24-40)33-9-4-6-11-36(33)45-2)47-31-19-17-30(18-20-31)38(44)39-32-8-3-5-10-35(32)46-27-7-12-37(42)43/h3-6,8-11,13-20,34H,7,12,21-27H2,1-2H3,(H,39,44)(H,42,43)
Affinity DataIC50: 67nMAssay Description:Inhibition of Steroid 5-alpha-reductase from Dawley rat prostateMore data for this Ligand-Target Pair
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1/2(Rattus norvegicus)
Zeria Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50215477(CHEMBL39842)
Show SMILES COc1ccccc1N1CCN(CCCOc2ccc(cc2OCc2ccccc2)C(=O)c2cn(CCCC(O)=O)c3ccccc23)CC1
Show InChI InChI=1S/C40H43N3O6/c1-47-36-16-8-7-15-35(36)42-24-22-41(23-25-42)20-10-26-48-37-19-18-31(27-38(37)49-29-30-11-3-2-4-12-30)40(46)33-28-43(21-9-17-39(44)45)34-14-6-5-13-32(33)34/h2-8,11-16,18-19,27-28H,9-10,17,20-26,29H2,1H3,(H,44,45)
Affinity DataIC50: 360nMAssay Description:Inhibition of Steroid 5-alpha-reductase from Dawley rat prostateMore data for this Ligand-Target Pair
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1/2(Rattus norvegicus)
Zeria Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50215476(CHEMBL288360)
Show SMILES COc1ccccc1N1CCN(CCCOc2cc(ccc2OCc2ccccc2)C(=O)Nc2ccccc2OCCCC(O)=O)CC1
Show InChI InChI=1S/C38H43N3O7/c1-45-34-16-8-6-14-32(34)41-23-21-40(22-24-41)20-10-26-47-36-27-30(18-19-35(36)48-28-29-11-3-2-4-12-29)38(44)39-31-13-5-7-15-33(31)46-25-9-17-37(42)43/h2-8,11-16,18-19,27H,9-10,17,20-26,28H2,1H3,(H,39,44)(H,42,43)
Affinity DataIC50: 490nMAssay Description:Inhibition of Steroid 5-alpha-reductase from Dawley rat prostateMore data for this Ligand-Target Pair
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1/2(Rattus norvegicus)
Zeria Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50214639(CHEMBL39209)
Show SMILES COc1ccccc1N1CCN(CCC(Oc2ccc(cc2)C(=O)Nc2ccccc2OCCCC(O)=O)c2ccccc2)CC1
Show InChI InChI=1S/C37H41N3O6/c1-44-35-15-8-6-13-32(35)40-25-23-39(24-26-40)22-21-33(28-10-3-2-4-11-28)46-30-19-17-29(18-20-30)37(43)38-31-12-5-7-14-34(31)45-27-9-16-36(41)42/h2-8,10-15,17-20,33H,9,16,21-27H2,1H3,(H,38,43)(H,41,42)
Affinity DataIC50: 920nMAssay Description:Inhibition of Steroid 5-alpha-reductase from Dawley rat prostateMore data for this Ligand-Target Pair
Target3-oxo-5-alpha-steroid 4-dehydrogenase 1/2(Rattus norvegicus)
Zeria Pharmaceutical Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50215532(CHEMBL41202)
Show SMILES COc1ccccc1N1CCN(CCCOc2ccc(cc2OCc2ccccc2)C(=O)Nc2ccccc2OCCCC(O)=O)CC1
Show InChI InChI=1S/C38H43N3O7/c1-45-34-16-8-6-14-32(34)41-23-21-40(22-24-41)20-10-26-47-35-19-18-30(27-36(35)48-28-29-11-3-2-4-12-29)38(44)39-31-13-5-7-15-33(31)46-25-9-17-37(42)43/h2-8,11-16,18-19,27H,9-10,17,20-26,28H2,1H3,(H,39,44)(H,42,43)
Affinity DataIC50: 3.50E+3nMAssay Description:Inhibition of Steroid 5-alpha-reductase from Dawley rat prostateMore data for this Ligand-Target Pair