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Compile Data Set for Download or QSAR

Found 153 hits of ic50 for UniProtKB: P31214   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50025367
PNG
(4a,6a-Dimethyl-2-oxo-hexadecahydro-indeno[5,4-f]qu...)
Show SMILES CCCCCCCCNC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C19H30N2O2/c1-18-9-7-13-11(12(18)4-5-14(18)17(20)23)3-6-15-19(13,2)10-8-16(22)21-15/h11-15H,3-10H2,1-2H3,(H2,20,23)(H,21,22)
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n/an/a 0.130n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50216164
PNG
(CHEMBL133338)
Show SMILES CCCCCCCCNC(=O)[C@H]1CCC2C3CCC4NC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C27H46N2O2/c1-4-5-6-7-8-9-18-28-25(31)22-12-11-20-19-10-13-23-27(3,17-15-24(30)29-23)21(19)14-16-26(20,22)2/h19-23H,4-18H2,1-3H3,(H,28,31)(H,29,30)/t19?,20?,21?,22-,23?,26+,27-/m1/s1
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n/an/a 0.130n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against Steroid 5-alpha-reductase in rat


Bioorg Med Chem Lett 8: 409-14 (1999)


Article DOI: 10.1016/s0960-894x(98)00044-4
BindingDB Entry DOI: 10.7270/Q2JW8FDB
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50225985
PNG
(CHEMBL3349105)
Show SMILES CCCCCCCCNC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C28H48N2O2/c1-5-6-7-8-9-10-19-29-26(32)23-13-12-21-20-11-14-24-28(3,18-16-25(31)30(24)4)22(20)15-17-27(21,23)2/h20-24H,5-19H2,1-4H3,(H,29,32)/t20-,21-,22-,23+,24?,27-,28+/m0/s1
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n/an/a 0.210n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50334788
PNG
((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
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n/an/a 0.280n/an/an/an/an/an/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
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50025454
PNG
(1,4,4a,6a-Tetramethyl-2-oxo-hexadecahydro-indeno[5...)
Show SMILES CN1C2CC[C@H]3[C@@H]4CC[C@H](C(=O)NC(C)(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C25H42N2O2/c1-7-27(8-2)23(29)20-11-10-18-17-9-12-21-25(5,16(3)15-22(28)26(21)6)19(17)13-14-24(18,20)4/h16-21H,7-15H2,1-6H3/t16-,17?,18?,19?,20?,21+,24?,25?/m0/s1
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n/an/a 0.560n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50025341
PNG
(4a,6a-Dimethyl-7-(3-methyl-butyryl)-hexadecahydro-...)
Show SMILES CCC(C)C(=O)[C@H]1CC[C@H]2[C@@H]3CCC4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C23H37NO2/c1-14(2)13-19(25)18-7-6-16-15-5-8-20-23(4,12-10-21(26)24-20)17(15)9-11-22(16,18)3/h14-18,20H,5-13H2,1-4H3,(H,24,26)
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n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50215529
PNG
(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)
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n/an/a 1.5n/an/an/an/an/an/a



Zeria Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Steroid 5-alpha-reductase from Dawley rat prostate


Bioorg Med Chem Lett 9: 1553-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00230-9
BindingDB Entry DOI: 10.7270/Q2DB841X
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50215480
PNG
(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)
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n/an/a 1.5n/an/an/an/an/an/a



Zeria Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Steroid 5-alpha-reductase from Dawley rat prostate


Bioorg Med Chem Lett 9: 1553-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00230-9
BindingDB Entry DOI: 10.7270/Q2DB841X
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50025450
PNG
(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
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n/an/a 1.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50025332
PNG
(1,4a,6a-Trimethyl-7-(2-methyl-butyryl)-hexadecahyd...)
Show SMILES CCC(C)C(=O)[C@H]1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C24H39NO2/c1-6-15(2)22(27)19-9-8-17-16-7-10-20-24(4,14-12-21(26)25(20)5)18(16)11-13-23(17,19)3/h15-20H,6-14H2,1-5H3
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n/an/a 1.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50025415
PNG
(CHEMBL296766 | CHEMBL3349288 | N,N-Diethyl-2-(1,4a...)
Show SMILES CCN(CC)C(=O)\C=C1/CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C25H40N2O2/c1-6-27(7-2)23(29)16-17-8-10-19-18-9-11-21-25(4,15-13-22(28)26(21)5)20(18)12-14-24(17,19)3/h16,18-21H,6-15H2,1-5H3/b17-16+
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n/an/a 2.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50057482
PNG
(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
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n/an/a 2.60n/an/an/an/an/an/a



Zeria Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Steroid 5-alpha-reductase from Dawley rat prostate


Bioorg Med Chem Lett 9: 1553-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00230-9
BindingDB Entry DOI: 10.7270/Q2DB841X
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50025353
PNG
(7-(1-Hydroxy-ethyl)-1,4a,6a-trimethyl-hexadecahydr...)
Show SMILES CC(O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H35NO2/c1-13(23)15-6-7-16-14-5-8-18-21(3,12-10-19(24)22(18)4)17(14)9-11-20(15,16)2/h13-18,23H,5-12H2,1-4H3
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n/an/a 2.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50215478
PNG
(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)
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n/an/a 2.90n/an/an/an/an/an/a



Zeria Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Steroid 5-alpha-reductase from Dawley rat prostate


Bioorg Med Chem Lett 9: 1553-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00230-9
BindingDB Entry DOI: 10.7270/Q2DB841X
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50215474
PNG
(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)
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n/an/a 3n/an/an/an/an/an/a



Zeria Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Steroid 5-alpha-reductase from Dawley rat prostate


Bioorg Med Chem Lett 9: 1553-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00230-9
BindingDB Entry DOI: 10.7270/Q2DB841X
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50025413
PNG
(4-(1,4a,6a-Trimethyl-2-oxo-hexadecahydro-indeno[5,...)
Show SMILES CCN(CC)C(=O)CCC(C)[C@H]1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C28H48N2O2/c1-7-30(8-2)26(32)14-9-19(3)21-11-12-22-20-10-13-24-28(5,18-16-25(31)29(24)6)23(20)15-17-27(21,22)4/h19-24H,7-18H2,1-6H3
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n/an/a 3.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50025375
PNG
(7-Acetyl-1,4a,6a,8-tetramethyl-hexadecahydro-inden...)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O
Show InChI InChI=1S/C22H35NO2/c1-13-12-17-15-6-7-18-21(3,11-9-19(25)23(18)5)16(15)8-10-22(17,4)20(13)14(2)24/h13,15-18,20H,6-12H2,1-5H3/t13-,15?,16?,17?,18?,20?,21?,22?/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50215475
PNG
(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)
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Zeria Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Steroid 5-alpha-reductase from Dawley rat prostate


Bioorg Med Chem Lett 9: 1553-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00230-9
BindingDB Entry DOI: 10.7270/Q2DB841X
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50405303
PNG
(CHEMBL2021336)
Show SMILES CC(C)N(C(C)C)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/C26H44N2O2/c1-16(2)28(17(3)4)24(30)21-10-9-19-18-8-11-22-26(6,15-13-23(29)27(22)7)20(18)12-14-25(19,21)5/h16-22H,8-15H2,1-7H3/t18-,19-,20-,21+,22+,25-,26+/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50025399
PNG
(CHEMBL1790293 | Sodium; 4-(1,4a,6a-trimethyl-2-oxo...)
Show SMILES [Na+].CC(CCC([O-])=O)[C@H]1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C24H39NO3.Na/c1-15(5-10-22(27)28)17-7-8-18-16-6-9-20-24(3,14-12-21(26)25(20)4)19(16)11-13-23(17,18)2;/h15-20H,5-14H2,1-4H3,(H,27,28);/q;+1/p-1/t15?,16-,17+,18-,19-,20?,23+,24+;/m0./s1
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n/an/a 3.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50025337
PNG
(7-(2-Hydroxy-1-methyl-ethyl)-1,4a,6a-trimethyl-hex...)
Show SMILES CC(CO)[C@H]1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C22H37NO2/c1-14(13-24)16-6-7-17-15-5-8-19-22(3,12-10-20(25)23(19)4)18(15)9-11-21(16,17)2/h14-19,24H,5-13H2,1-4H3
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n/an/a 3.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50215461
PNG
(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)
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n/an/a 4n/an/an/an/an/an/a



Zeria Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Steroid 5-alpha-reductase from Dawley rat prostate


Bioorg Med Chem Lett 9: 1553-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00230-9
BindingDB Entry DOI: 10.7270/Q2DB841X
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50057477
PNG
(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)
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n/an/a 4.20n/an/an/an/an/an/a



Zeria Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Steroid 5-alpha-reductase from Dawley rat prostate


Bioorg Med Chem Lett 9: 1553-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00230-9
BindingDB Entry DOI: 10.7270/Q2DB841X
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50025330
PNG
(1',4a',6a'-trimethylspiro[tetrahydrofuran-2,7'-per...)
Show SMILES C[C@H]1CC2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCCO3)[C@H]12
Show InChI InChI=1S/C22H35NO2/c1-20-11-9-19(24)23(3)18(20)6-5-15-16(20)7-12-21(2)17(15)8-13-22(21)10-4-14-25-22/h15-18H,4-14H2,1-3H3/t15?,16?,17?,18?,20?,21?,22-/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50025379
PNG
(1,4a,6a-Trimethyl-2-oxo-hexadecahydro-indeno[5,4-f...)
Show SMILES COC(CNC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C)OC
Show InChI InChI=1S/C24H40N2O4/c1-23-12-10-17-15(6-9-19-24(17,2)13-11-20(27)26(19)3)16(23)7-8-18(23)22(28)25-14-21(29-4)30-5/h15-19,21H,6-14H2,1-5H3,(H,25,28)
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n/an/a 4.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50215530
PNG
(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)
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n/an/a 4.80n/an/an/an/an/an/a



Zeria Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Steroid 5-alpha-reductase from Dawley rat prostate


Bioorg Med Chem Lett 9: 1553-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00230-9
BindingDB Entry DOI: 10.7270/Q2DB841X
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50025455
PNG
(4a,6a-Dimethyl-2-oxo-hexadecahydro-indeno[5,4-f]qu...)
Show SMILES CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C23H38N2O2/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/h14-18H,6-13H2,1-5H3,(H,24,26)(H,25,27)
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n/an/a 6.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50216167
PNG
(CHEMBL134224)
Show SMILES CC(C)(C)NC(=O)[C@H]1CCC2C3CCC4NC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C23H38N2O2/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/h14-18H,6-13H2,1-5H3,(H,24,26)(H,25,27)/t14?,15?,16?,17-,18?,22+,23-/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibitory activity against Steroid 5-alpha-reductase in rat


Bioorg Med Chem Lett 8: 409-14 (1999)


Article DOI: 10.1016/s0960-894x(98)00044-4
BindingDB Entry DOI: 10.7270/Q2JW8FDB
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50334788
PNG
((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
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n/an/a 6.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50025395
PNG
((1,4a,6a-Trimethyl-2-oxo-hexadecahydro-indeno[5,4-...)
Show SMILES CCOC(=O)C[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/C23H37NO3/c1-5-27-21(26)14-15-6-8-17-16-7-9-19-23(3,13-11-20(25)24(19)4)18(16)10-12-22(15,17)2/h15-19H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,22-,23-/m1/s1
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n/an/a 6.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50367296
PNG
(CHEMBL1790284)
Show SMILES CC(O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H35NO3/c1-13(23)21(25)12-8-16-14-5-6-17-19(2,10-9-18(24)22(17)4)15(14)7-11-20(16,21)3/h13-17,23,25H,5-12H2,1-4H3/t13?,14-,15+,16+,17?,19-,20+,21+/m1/s1
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n/an/a 7.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50025364
PNG
(2-(1,4a,6a-Trimethyl-2-oxo-hexadecahydro-indeno[5,...)
Show SMILES CC(C#N)[C@H]1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C22H34N2O/c1-14(13-23)16-6-7-17-15-5-8-19-22(3,12-10-20(25)24(19)4)18(15)9-11-21(16,17)2/h14-19H,5-12H2,1-4H3
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n/an/a 7.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro antagonist activity against rat prostatic androgen receptor (AR)


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


(Rattus norvegicus)
BDBM50025359
PNG
(1,4a,6a-Trimethyl-2-oxo-hexadecahydro-indeno[5,4-f...)
Show SMILES COC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H33NO3/c1-20-11-9-15-13(14(20)6-7-16(20)19(24)25-4)5-8-17-21(15,2)12-10-18(23)22(17)3/h13-17H,5-12H2,1-4H3
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n/an/a 7.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50025447
PNG
(CHEMBL3085570 | N,N-Diethyl-2-(1,4a,6a-trimethyl-2...)
Show SMILES CCN(CC)C(=O)C[C@H]1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C25H42N2O2/c1-6-27(7-2)23(29)16-17-8-10-19-18-9-11-21-25(4,15-13-22(28)26(21)5)20(18)12-14-24(17,19)3/h17-21H,6-16H2,1-5H3/t17-,18+,19+,20+,21?,24-,25-/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50334788
PNG
((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
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n/an/a 11n/an/an/an/an/an/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)


Article DOI: 10.1021/jm0208471
BindingDB Entry DOI: 10.7270/Q2T43TT8
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50226049
PNG
(CHEMBL3349139)
Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CC[C@H]2[C@@H]3CCC4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C25H42N2O2/c1-15(2)27(16(3)4)23(29)20-9-8-18-17-7-10-21-25(6,14-12-22(28)26-21)19(17)11-13-24(18,20)5/h15-21H,7-14H2,1-6H3,(H,26,28)/t17-,18-,19-,20+,21?,24-,25+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50215473
PNG
(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)
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n/an/a 11n/an/an/an/an/an/a



Zeria Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Steroid 5-alpha-reductase from Dawley rat prostate


Bioorg Med Chem Lett 9: 1553-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00230-9
BindingDB Entry DOI: 10.7270/Q2DB841X
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50213061
PNG
(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
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50225983
PNG
(CHEMBL3349111)
Show SMILES CCNC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C22H36N2O2/c1-5-23-20(26)17-8-7-15-14-6-9-18-22(3,13-11-19(25)24(18)4)16(14)10-12-21(15,17)2/h14-18H,5-13H2,1-4H3,(H,23,26)/t14-,15-,16-,17+,18?,21-,22+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50025352
PNG
(CHEMBL3349083 | CHEMBL77882 | Sodium; 2-(1,4a,6a-t...)
Show SMILES [Na+].CC([C@H]1CC[C@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C([O-])=O
Show InChI InChI=1S/C22H33NO3/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/h8,13-17H,5-7,9-12H2,1-4H3,(H,25,26)/p-1
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50025388
PNG
(CHEMBL1790288 | N,N-Diethyl-2-(1,4a,6a-trimethyl-2...)
Show SMILES CCN(CC)C(=O)C(C)[C@H]1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C26H44N2O2/c1-7-28(8-2)24(30)17(3)19-10-11-20-18-9-12-22-26(5,16-14-23(29)27(22)6)21(18)13-15-25(19,20)4/h17-22H,7-16H2,1-6H3/t17?,18-,19+,20-,21-,22?,25+,26+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50025449
PNG
(1,4a,6a-Trimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b...)
Show SMILES CN1C2CC[C@H]3[C@@H]4CC[C@H](C(=O)NC(C)(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O
Show InChI InChI=1S/C20H30N2O2/c1-19-10-8-14-12(13(19)5-6-15(19)18(21)24)4-7-16-20(14,2)11-9-17(23)22(16)3/h9,11-16H,4-8,10H2,1-3H3,(H2,21,24)/t12?,13?,14?,15?,16-,19?,20?/m1/s1
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50025333
PNG
(7-Acetyl-1,4a,6a,8-tetramethyl-hexadecahydro-inden...)
Show SMILES C[C@H]1C[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O
Show InChI InChI=1S/C22H35NO2/c1-13-12-17-15-6-7-18-21(3,11-9-19(25)23(18)5)16(15)8-10-22(17,4)20(13)14(2)24/h13,15-18,20H,6-12H2,1-5H3/t13-,15?,16?,17?,18?,20?,21?,22?/m0/s1
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50225996
PNG
(CHEMBL3349104)
Show SMILES CN1C2CC[C@H]3[C@@H]4CC[C@H](C(N)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C20H32N2O2/c1-19-10-8-14-12(13(19)5-6-15(19)18(21)24)4-7-16-20(14,2)11-9-17(23)22(16)3/h12-16H,4-11H2,1-3H3,(H2,21,24)/t12-,13-,14-,15+,16?,19-,20+/m0/s1
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n/an/a 17n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50025371
PNG
(7-(1-Hydroxy-ethyl)-1,4a,6a,8-tetramethyl-hexadeca...)
Show SMILES CC(O)[C@H]1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C22H37NO2/c1-13-12-17-15-6-7-18-21(3,11-9-19(25)23(18)5)16(15)8-10-22(17,4)20(13)14(2)24/h13-18,20,24H,6-12H2,1-5H3/t13-,14?,15?,16?,17?,18?,20?,21?,22?/m1/s1
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Steroid 5-alpha-reductase from rat prostate


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


(Rattus norvegicus)
BDBM50225986
PNG
(CHEMBL2295868)
Show SMILES CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](C)C[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C25H42N2O2/c1-7-27(8-2)23(29)20-11-10-18-17-9-12-21-25(5,15-16(3)22(28)26(21)6)19(17)13-14-24(18,20)4/h16-21H,7-15H2,1-6H3/t16-,17-,18-,19-,20+,21+,24-,25+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50025372
PNG
(4,10,13-Trimethyl-3-oxo-octadecahydro-4-aza-cyclop...)
Show SMILES CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C25H40N2O2/c1-6-27(7-2)23(29)19-10-9-17-15-8-11-21-25(4,18(15)12-13-24(17,19)3)20-14-16(20)22(28)26(21)5/h15-21H,6-14H2,1-5H3/t15?,16-,17?,18?,19?,20?,21-,24?,25?/m1/s1
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50226048
PNG
(CHEMBL3349088)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C38H68N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-39-36(42)33-23-22-31-30-21-24-34-38(3,28-26-35(41)40(34)4)32(30)25-27-37(31,33)2/h30-34H,5-29H2,1-4H3,(H,39,42)/t30-,31-,32-,33+,34?,37-,38+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50025369
PNG
(2-(1,4a,6a-Trimethyl-2-oxo-hexadecahydro-indeno[5,...)
Show SMILES COC(=O)C(C)[C@H]1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C23H37NO3/c1-14(21(26)27-5)16-7-8-17-15-6-9-19-23(3,13-11-20(25)24(19)4)18(15)10-12-22(16,17)2/h14-19H,6-13H2,1-5H3
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


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


(Rattus norvegicus)
BDBM50025442
PNG
(7-Acetyl-1,4a,6a-trimethyl-hexadecahydro-indeno[5,...)
Show SMILES CN1C2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C21H33NO2/c1-13(23)15-6-7-16-14-5-8-18-21(3,12-10-19(24)22(18)4)17(14)9-11-20(15,16)2/h14-18H,5-12H2,1-4H3
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n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Steroid 5-alpha-reductase from rat prostate


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
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