Found 61 hits of ki for UniProtKB: P24008 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
3-oxo-5-alpha-steroid 4-dehydrogenase 1
(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 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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)
BindingDB Entry DOI: 10.7270/Q2C829XC |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1
(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 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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| 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)
BindingDB Entry DOI: 10.7270/Q2C829XC |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1
(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 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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UniChem
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| 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)
BindingDB Entry DOI: 10.7270/Q2C829XC |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50025450
(CHEMBL1790294 | Sodium; 1,4a,6a-trimethyl-2-oxo-he...)Show SMILES [Na+].[H][C@@]12CC[C@H](C(C)C([O-])=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C 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
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| 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)
BindingDB Entry DOI: 10.7270/Q2XG9RQR |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | 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 |r| 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 | MMDB
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| 5 | 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 5alpha reductase was determined |
J Med Chem 29: 2298-315 (1986)
BindingDB Entry DOI: 10.7270/Q2XG9RQR |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50367296
(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 | MMDB
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| 6 | 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)
BindingDB Entry DOI: 10.7270/Q2XG9RQR |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1
(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 | Reactome pathway
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| 6.80 | 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)
BindingDB Entry DOI: 10.7270/Q2C829XC |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1
(Rattus norvegicus) | BDBM50368782
(Bexlosteride | CHEMBL24955 | LY-191704)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 | Reactome pathway
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| 8 | 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-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 | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50452771
(CHEMBL2311126)Show SMILES [H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2(C)C=C(CC[C@]12C)C(O)=O |c:26| Show InChI InChI=1S/C26H41NO3/c1-23(2,3)27-21(28)20-8-7-18-17-10-12-24(4)15-16(22(29)30)9-14-26(24,6)19(17)11-13-25(18,20)5/h15,17-20H,7-14H2,1-6H3,(H,27,28)(H,29,30)/t17-,18-,19-,20+,24-,25-,26+/m0/s1 | MMDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline & French Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of Steroid 5-alpha-reductase in rat ventral prostates. |
J Med Chem 33: 943-50 (1990)
BindingDB Entry DOI: 10.7270/Q25D8QSB |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50226049
(CHEMBL3349139)Show SMILES [H][C@@]12CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)CC[C@]12C |r| 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 | MMDB
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| 13 | 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)
BindingDB Entry DOI: 10.7270/Q2XG9RQR |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50216093
(CHEMBL431134)Show SMILES CCOP(=O)(OCC)C1=CC2=CCC3C4CC[C@H](C(=O)NC(C)(C)C)[C@@]4(C)CCC3[C@@]2(C)CC1 |t:8,10| Show InChI InChI=1S/C28H46NO4P/c1-8-32-34(31,33-9-2)20-14-16-27(6)19(18-20)10-11-21-22-12-13-24(25(30)29-26(3,4)5)28(22,7)17-15-23(21)27/h10,18,21-24H,8-9,11-17H2,1-7H3,(H,29,30)/t21?,22?,23?,24-,27+,28+/m1/s1 | MMDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Science
Curated by ChEMBL
| Assay Description
Ability to inhibit Steroid 5-alpha-reductase in rat using Enzyme kinetics method. |
Bioorg Med Chem Lett 8: 1949-52 (1998)
BindingDB Entry DOI: 10.7270/Q20867GT |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | 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 |c:15,t:13| 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 | MMDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline & French Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Steroid 5-alpha-reductase was determined in rat ventral prostates expressed as apparent inhibition constant; Ran... |
J Med Chem 33: 943-50 (1990)
BindingDB Entry DOI: 10.7270/Q25D8QSB |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50025400
(1'-ethyl-4a',6a'-dimethylspiro[tetrahydrofuran-2,7...)Show SMILES [H][C@@]12CC[C@@]3(CCCO3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C Show InChI InChI=1S/C23H37NO2/c1-4-24-19-7-6-16-17(21(19,2)12-10-20(24)25)8-13-22(3)18(16)9-14-23(22)11-5-15-26-23/h16-19H,4-15H2,1-3H3/t16?,17?,18?,19?,21?,22?,23-/m0/s1 | MMDB
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| 24 | 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)
BindingDB Entry DOI: 10.7270/Q2XG9RQR |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50216166
(CHEMBL3349181)Show SMILES [H][C@@]12CC[C@H](C(=O)N(CC)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])NC(=O)CC[C@]12C |r| Show InChI InChI=1S/C23H38N2O2/c1-5-25(6-2)21(27)18-9-8-16-15-7-10-19-23(4,14-12-20(26)24-19)17(15)11-13-22(16,18)3/h15-19H,5-14H2,1-4H3,(H,24,26)/t15-,16-,17-,18+,19-,22-,23+/m0/s1 | MMDB
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| 29 | 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)
BindingDB Entry DOI: 10.7270/Q2XG9RQR |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50406357
(CHEMBL172595)Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CC(F)=C4C=C(CC[C@]4(C)C3CC[C@]12C)C(O)=O |c:18,t:16| Show InChI InChI=1S/C27H40FNO3/c1-15(2)29(16(3)4)24(30)21-8-7-19-18-14-23(28)22-13-17(25(31)32)9-11-27(22,6)20(18)10-12-26(19,21)5/h13,15-16,18-21H,7-12,14H2,1-6H3,(H,31,32)/t18?,19?,20?,21-,26+,27-/m1/s1 | MMDB
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| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline & French Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of Steroid 5-alpha-reductase in rat ventral prostates. |
J Med Chem 33: 943-50 (1990)
BindingDB Entry DOI: 10.7270/Q25D8QSB |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50452770
(CHEMBL2311127)Show SMILES [H][C@@]12CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C(F)=C(CC[C@]12C)C(O)=O |c:29| Show InChI InChI=1S/C27H42FNO3/c1-15(2)29(16(3)4)24(30)22-10-9-19-17-7-8-21-23(28)18(25(31)32)11-13-26(21,5)20(17)12-14-27(19,22)6/h15-17,19-22H,7-14H2,1-6H3,(H,31,32)/t17-,19-,20-,21-,22+,26+,27-/m0/s1 | MMDB
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline & French Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of Steroid 5-alpha-reductase in rat ventral prostates. |
J Med Chem 33: 943-50 (1990)
BindingDB Entry DOI: 10.7270/Q25D8QSB |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50057448
((10R,13S,17S)-17-Diisopropylcarbamoyl-10,13-dimeth...)Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CC=C4C=C(CC[C@]4(C)C3CC[C@]12C)C(O)=O |c:17,t:15| Show InChI InChI=1S/C27H41NO3/c1-16(2)28(17(3)4)24(29)23-10-9-21-20-8-7-19-15-18(25(30)31)11-13-26(19,5)22(20)12-14-27(21,23)6/h7,15-17,20-23H,8-14H2,1-6H3,(H,30,31)/t20?,21?,22?,23-,26+,27+/m1/s1 | MMDB
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline & French Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against Steroid 5-alpha-reductase was determined in rat ventral prostates expressed as apparent inhibition constant; Ran... |
J Med Chem 33: 943-50 (1990)
BindingDB Entry DOI: 10.7270/Q25D8QSB |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1
(Rattus norvegicus) | BDBM50289143
((5R,10R,14S)-17-(2-Hydroxy-1-methyl-ethyl)-10-meth...)Show SMILES [H][C@@]12CC[C@H](C(C)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C(=[N+]=[N-])C(=O)CC[C@]12C Show InChI InChI=1S/C22H34N2O2/c1-13(12-25)15-6-7-16-14-4-5-18-20(24-23)19(26)9-11-22(18,3)17(14)8-10-21(15,16)2/h13-18,25H,4-12H2,1-3H3/t13?,14-,15+,16-,17-,18-,21+,22+/m0/s1 | Reactome pathway
KEGG
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibitory activity of the compound was determined against rat prostatic Steroid 5-alpha-reductase type I |
Bioorg Med Chem Lett 6: 883-884 (1996)
Article DOI: 10.1016/0960-894X(96)00136-9
BindingDB Entry DOI: 10.7270/Q24B319W |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50216092
(CHEMBL57922)Show SMILES CC(C)(C)NC(=O)[C@H]1CCC2C3CC=C4C=C(CC[C@]4(C)C3CC[C@]12C)C#Cc1ccccc1 |c:15,t:13| Show InChI InChI=1S/C32H41NO/c1-30(2,3)33-29(34)28-16-15-26-25-14-13-24-21-23(12-11-22-9-7-6-8-10-22)17-19-31(24,4)27(25)18-20-32(26,28)5/h6-10,13,21,25-28H,14-20H2,1-5H3,(H,33,34)/t25?,26?,27?,28-,31+,32+/m1/s1 | MMDB
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| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Science
Curated by ChEMBL
| Assay Description
Ability to inhibit Steroid 5-alpha-reductase in rat using Enzyme kinetics method. |
Bioorg Med Chem Lett 8: 1949-52 (1998)
BindingDB Entry DOI: 10.7270/Q20867GT |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50406356
(CHEMBL426217)Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CC=C4C=C(CC[C@]4(C)C3C=C[C@]12C)C(O)=O |c:17,26,t:15| Show InChI InChI=1S/C27H39NO3/c1-16(2)28(17(3)4)24(29)23-10-9-21-20-8-7-19-15-18(25(30)31)11-13-26(19,5)22(20)12-14-27(21,23)6/h7,12,14-17,20-23H,8-11,13H2,1-6H3,(H,30,31)/t20?,21?,22?,23-,26+,27+/m1/s1 | MMDB
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| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline & French Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of Steroid 5-alpha-reductase in rat ventral prostates. |
J Med Chem 33: 943-50 (1990)
BindingDB Entry DOI: 10.7270/Q25D8QSB |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(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 | MMDB
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| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Science
Curated by ChEMBL
| Assay Description
Ability to inhibit Steroid 5-alpha-reductase in rat using Enzyme kinetics method. |
Bioorg Med Chem Lett 8: 1949-52 (1998)
BindingDB Entry DOI: 10.7270/Q20867GT |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50406359
(CHEMBL172025)Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CC[C@H]4C=C(C=C[C@]4(C)C3CC[C@]12C)C(O)=O |c:17,19| Show InChI InChI=1S/C27H41NO3/c1-16(2)28(17(3)4)24(29)23-10-9-21-20-8-7-19-15-18(25(30)31)11-13-26(19,5)22(20)12-14-27(21,23)6/h11,13,15-17,19-23H,7-10,12,14H2,1-6H3,(H,30,31)/t19-,20?,21?,22?,23+,26-,27-/m0/s1 | MMDB
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| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline & French Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of Steroid 5-alpha-reductase in rat ventral prostates. |
J Med Chem 33: 943-50 (1990)
BindingDB Entry DOI: 10.7270/Q25D8QSB |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50216093
(CHEMBL431134)Show SMILES CCOP(=O)(OCC)C1=CC2=CCC3C4CC[C@H](C(=O)NC(C)(C)C)[C@@]4(C)CCC3[C@@]2(C)CC1 |t:8,10| Show InChI InChI=1S/C28H46NO4P/c1-8-32-34(31,33-9-2)20-14-16-27(6)19(18-20)10-11-21-22-12-13-24(25(30)29-26(3,4)5)28(22,7)17-15-23(21)27/h10,18,21-24H,8-9,11-17H2,1-7H3,(H,29,30)/t21?,22?,23?,24-,27+,28+/m1/s1 | MMDB
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| 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Science
Curated by ChEMBL
| Assay Description
Ability to inhibit Steroid 5-alpha-reductase in rat using Isotope method [3H]T to [3H]-DHT] |
Bioorg Med Chem Lett 8: 1949-52 (1998)
BindingDB Entry DOI: 10.7270/Q20867GT |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50057469
((10R,13S,17S)-17-Diisopropylcarbamoyl-4,10,13-trim...)Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CC=C4C(C)=C(CC[C@]4(C)C3CC[C@]12C)C(O)=O |c:18,t:15| Show InChI InChI=1S/C28H43NO3/c1-16(2)29(17(3)4)25(30)24-11-10-22-20-8-9-21-18(5)19(26(31)32)12-14-27(21,6)23(20)13-15-28(22,24)7/h9,16-17,20,22-24H,8,10-15H2,1-7H3,(H,31,32)/t20?,22?,23?,24-,27+,28+/m1/s1 | MMDB
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| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline & French Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of Steroid 5-alpha-reductase in rat ventral prostates. |
J Med Chem 33: 943-50 (1990)
BindingDB Entry DOI: 10.7270/Q25D8QSB |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50391269
(CHEMBL48467)Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CC[C@H]4C=C(CC[C@]4(C)C3CC[C@]12C)C(O)=O |c:17| Show InChI InChI=1S/C27H43NO3/c1-16(2)28(17(3)4)24(29)23-10-9-21-20-8-7-19-15-18(25(30)31)11-13-26(19,5)22(20)12-14-27(21,23)6/h15-17,19-23H,7-14H2,1-6H3,(H,30,31)/t19-,20?,21?,22?,23+,26-,27-/m0/s1 | MMDB
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| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline & French Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against 5-alpha reductase was determined in rat ventral prostates expressed as apparent inhibition constant |
J Med Chem 33: 943-50 (1990)
BindingDB Entry DOI: 10.7270/Q25D8QSB |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(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 | MMDB
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| 88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Science
Curated by ChEMBL
| Assay Description
Ability to inhibit Steroid 5-alpha-reductase in rat using Isotope method [3H]T to [3H]-DHT] |
Bioorg Med Chem Lett 8: 1949-52 (1998)
BindingDB Entry DOI: 10.7270/Q20867GT |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50216092
(CHEMBL57922)Show SMILES CC(C)(C)NC(=O)[C@H]1CCC2C3CC=C4C=C(CC[C@]4(C)C3CC[C@]12C)C#Cc1ccccc1 |c:15,t:13| Show InChI InChI=1S/C32H41NO/c1-30(2,3)33-29(34)28-16-15-26-25-14-13-24-21-23(12-11-22-9-7-6-8-10-22)17-19-31(24,4)27(25)18-20-32(26,28)5/h6-10,13,21,25-28H,14-20H2,1-5H3,(H,33,34)/t25?,26?,27?,28-,31+,32+/m1/s1 | MMDB
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Science
Curated by ChEMBL
| Assay Description
Ability to inhibit Steroid 5-alpha-reductase in rat using Isotope method [3H]T to [3H]-DHT] |
Bioorg Med Chem Lett 8: 1949-52 (1998)
BindingDB Entry DOI: 10.7270/Q20867GT |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50406361
(CHEMBL172951)Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CC[C@H]4CC(=CC[C@]4(C)C3CC[C@]12C)C(O)=O |c:18| Show InChI InChI=1S/C27H43NO3/c1-16(2)28(17(3)4)24(29)23-10-9-21-20-8-7-19-15-18(25(30)31)11-13-26(19,5)22(20)12-14-27(21,23)6/h11,16-17,19-23H,7-10,12-15H2,1-6H3,(H,30,31)/t19-,20?,21?,22?,23+,26-,27-/m0/s1 | MMDB
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| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline & French Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of Steroid 5-alpha-reductase in rat ventral prostates. |
J Med Chem 33: 943-50 (1990)
BindingDB Entry DOI: 10.7270/Q25D8QSB |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50406353
(CHEMBL172416)Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CCC4=CC(=CC[C@]4(C)C3CC[C@]12C)C(O)=O |c:18,t:16| Show InChI InChI=1S/C27H41NO3/c1-16(2)28(17(3)4)24(29)23-10-9-21-20-8-7-19-15-18(25(30)31)11-13-26(19,5)22(20)12-14-27(21,23)6/h11,15-17,20-23H,7-10,12-14H2,1-6H3,(H,30,31)/t20?,21?,22?,23-,26+,27+/m1/s1 | MMDB
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| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline & French Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of Steroid 5-alpha-reductase in rat ventral prostates. |
J Med Chem 33: 943-50 (1990)
BindingDB Entry DOI: 10.7270/Q25D8QSB |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50225982
(CHEMBL3349117)Show SMILES [H][C@@]12CC[C@H](C(=O)OC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)CC[C@]12C |r| Show InChI InChI=1S/C20H31NO3/c1-19-10-8-14-12(13(19)5-6-15(19)18(23)24-3)4-7-16-20(14,2)11-9-17(22)21-16/h12-16H,4-11H2,1-3H3,(H,21,22)/t12-,13-,14-,15+,16?,19-,20+/m0/s1 | MMDB
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| 133 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2XG9RQR |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50406362
(CHEMBL170473)Show SMILES C[C@]12CCC3C(CC=C4C=C(CC[C@]34C)C(O)=O)C1CC[C@@H]2C#N |c:9,t:7| Show InChI InChI=1S/C21H27NO2/c1-20-9-7-13(19(23)24)11-14(20)3-5-16-17-6-4-15(12-22)21(17,2)10-8-18(16)20/h3,11,15-18H,4-10H2,1-2H3,(H,23,24)/t15-,16?,17?,18?,20+,21-/m1/s1 | MMDB
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| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline & French Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of Steroid 5-alpha-reductase in rat ventral prostates. |
J Med Chem 33: 943-50 (1990)
BindingDB Entry DOI: 10.7270/Q25D8QSB |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50406358
(CHEMBL366660)Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CC=C4C=C(CC[C@@H]4C3CC[C@]12C)C(O)=O |c:17,t:15| Show InChI InChI=1S/C26H39NO3/c1-15(2)27(16(3)4)24(28)23-11-10-22-21-9-6-17-14-18(25(29)30)7-8-19(17)20(21)12-13-26(22,23)5/h6,14-16,19-23H,7-13H2,1-5H3,(H,29,30)/t19-,20?,21?,22?,23+,26-/m0/s1 | MMDB
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| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline & French Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of Steroid 5-alpha-reductase in rat ventral prostates. |
J Med Chem 33: 943-50 (1990)
BindingDB Entry DOI: 10.7270/Q25D8QSB |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | 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 | MMDB
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| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline& French Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Steroid 5-alpha-reductase of rat ventral prostate tissue |
J Med Chem 33: 937-42 (1990)
BindingDB Entry DOI: 10.7270/Q2F76DR5 |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50406352
(CHEMBL174294)Show SMILES CC(CO)[C@@H]1CCC2C3CCC4C=C(CC[C@]4(C)C3CC[C@]12C)C(O)=O |c:12| Show InChI InChI=1S/C23H36O3/c1-14(13-24)18-6-7-19-17-5-4-16-12-15(21(25)26)8-10-22(16,2)20(17)9-11-23(18,19)3/h12,14,16-20,24H,4-11,13H2,1-3H3,(H,25,26)/t14?,16?,17?,18-,19?,20?,22-,23+/m0/s1 | MMDB
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| 155 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline & French Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of Steroid 5-alpha-reductase in rat ventral prostates. |
J Med Chem 33: 943-50 (1990)
BindingDB Entry DOI: 10.7270/Q25D8QSB |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50025359
(1,4a,6a-Trimethyl-2-oxo-hexadecahydro-indeno[5,4-f...)Show SMILES [H][C@@]12CC[C@H](C(=O)OC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r| 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 | MMDB
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| 165 | 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 5-alpha reductase was determined |
J Med Chem 29: 2298-315 (1986)
BindingDB Entry DOI: 10.7270/Q2XG9RQR |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50406346
(CHEMBL367878)Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CC(C)=C4C=C(CC[C@]4(C)C3CC[C@]12C)C(O)=O |c:18,t:16| Show InChI InChI=1S/C28H43NO3/c1-16(2)29(17(3)4)25(30)23-9-8-21-20-14-18(5)24-15-19(26(31)32)10-12-28(24,7)22(20)11-13-27(21,23)6/h15-17,20-23H,8-14H2,1-7H3,(H,31,32)/t20?,21?,22?,23-,27+,28-/m1/s1 | MMDB
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UniChem
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| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline & French Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of Steroid 5-alpha-reductase in rat ventral prostates. |
J Med Chem 33: 943-50 (1990)
BindingDB Entry DOI: 10.7270/Q25D8QSB |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50017807
(CHEMBL1628008)Show SMILES [H][C@@]12CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@]1([H])c3cc(Cl)c(cc3CC[C@@]21[H])C(O)=O Show InChI InChI=1S/C60H90N19O12P/c1-5-37(4)50(56(86)73-44(51(61)81)29-40-31-66-34-70-40)77-48(80)22-26-92(89,90)49(27-36(2)3)78-54(84)46(30-41-32-67-35-71-41)74-53(83)45(28-38-15-8-6-9-16-38)75-55(85)47-21-14-25-79(47)57(87)43(20-13-24-69-59(64)65)72-52(82)42(19-12-23-68-58(62)63)76-60(88)91-33-39-17-10-7-11-18-39/h6-11,15-18,31-32,34-37,42-47,49-50H,5,12-14,19-30,33H2,1-4H3,(H2,61,81)(H,66,70)(H,67,71)(H,72,82)(H,73,86)(H,74,83)(H,75,85)(H,76,88)(H,77,80)(H,78,84)(H,89,90)(H4,62,63,68)(H4,64,65,69)/t37-,42?,43?,44-,45-,46-,47+,49?,50-/m0/s1 | MMDB
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| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline& French Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Steroid 5-alpha-reductase of rat ventral prostate tissue |
J Med Chem 33: 937-42 (1990)
BindingDB Entry DOI: 10.7270/Q2F76DR5 |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50022533
(CHEMBL368288)Show SMILES CC(C)(C)NC(=O)C1=CCC2C3CCc4cc(ccc4C3CC[C@]12C)C(O)=O |t:7| Show InChI InChI=1S/C15H17N3O/c1-12(2)16-17-15(19)11-13-5-7-14(8-6-13)18-9-3-4-10-18/h3-10H,11H2,1-2H3,(H,17,19) | MMDB
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UniChem
| PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline& French Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Steroid 5-alpha-reductase of rat ventral prostate tissue |
J Med Chem 33: 937-42 (1990)
BindingDB Entry DOI: 10.7270/Q2F76DR5 |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50022535
(CHEMBL1628036)Show SMILES [H][C@@]12CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@]1([H])c3cc(Br)c(cc3CC[C@@]21[H])C(O)=O Show InChI InChI=1S/C14H17N3O/c1-10-3-4-11(2)17(10)13-7-5-12(6-8-13)9-14(18)16-15/h3-8H,9,15H2,1-2H3,(H,16,18) | MMDB
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| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline& French Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Steroid 5-alpha-reductase of rat ventral prostate tissue |
J Med Chem 33: 937-42 (1990)
BindingDB Entry DOI: 10.7270/Q2F76DR5 |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50406355
(CHEMBL353340)Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CCC4=C(CCC(=C4)C(O)=O)C3CC[C@]12C |c:20,t:16| Show InChI InChI=1S/C26H39NO3/c1-15(2)27(16(3)4)24(28)23-11-10-22-21-9-6-17-14-18(25(29)30)7-8-19(17)20(21)12-13-26(22,23)5/h14-16,20-23H,6-13H2,1-5H3,(H,29,30)/t20?,21?,22?,23-,26+/m1/s1 | MMDB
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| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline & French Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of Steroid 5-alpha-reductase in rat ventral prostates. |
J Med Chem 33: 943-50 (1990)
BindingDB Entry DOI: 10.7270/Q25D8QSB |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50057468
((10R,13S,17S)-17-Diisopropylcarbamoyl-10,13-dimeth...)Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3C=CC4=CC(=CC[C@]4(C)C3CC[C@]12C)C(O)=O |c:14,18,t:16| Show InChI InChI=1S/C27H39NO3/c1-16(2)28(17(3)4)24(29)23-10-9-21-20-8-7-19-15-18(25(30)31)11-13-26(19,5)22(20)12-14-27(21,23)6/h7-8,11,15-17,20-23H,9-10,12-14H2,1-6H3,(H,30,31)/t20?,21?,22?,23-,26+,27+/m1/s1 | MMDB
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| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline & French Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of Steroid 5-alpha-reductase in rat ventral prostates. |
J Med Chem 33: 943-50 (1990)
BindingDB Entry DOI: 10.7270/Q25D8QSB |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50021747
(CHEMBL1628035)Show SMILES [H][C@@]12CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@]1([H])c3cc(C)c(cc3CC[C@@]21[H])C(O)=O Show InChI InChI=1S/C18H21N2O10P/c1-7-8(2)16(23)14(9(3)15(7)22)10-5-20(18(25)19-17(10)24)13-4-11(21)12(30-13)6-29-31(26,27)28/h5,11-13,21-23H,2-4,6H2,1H3,(H,19,24,25)(H2,26,27,28) | MMDB
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| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline& French Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Steroid 5-alpha-reductase of rat ventral prostate tissue |
J Med Chem 33: 937-42 (1990)
BindingDB Entry DOI: 10.7270/Q2F76DR5 |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50406348
(CHEMBL3138326)Show SMILES [H][C@@]12CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(CC[C@]12C)C(O)=O Show InChI InChI=1S/C27H45NO3/c1-16(2)28(17(3)4)24(29)23-10-9-21-20-8-7-19-15-18(25(30)31)11-13-26(19,5)22(20)12-14-27(21,23)6/h16-23H,7-15H2,1-6H3,(H,30,31)/t18?,19-,20-,21-,22-,23+,26-,27-/m0/s1 | MMDB
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| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline & French Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of Steroid 5-alpha-reductase in rat ventral prostates. |
J Med Chem 33: 943-50 (1990)
BindingDB Entry DOI: 10.7270/Q25D8QSB |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50017798
(CHEMBL353414)Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2c3ccc4cc(ccc4c3CC[C@]12C)C(O)=O Show InChI InChI=1S/C63H96N19O12P/c1-7-39(6)52(59(89)76-47(53(64)83)29-42-31-69-35-73-42)81-54(84)44(38(4)5)34-95(92,93)51(27-37(2)3)80-57(87)49(30-43-32-70-36-74-43)77-56(86)48(28-40-17-10-8-11-18-40)78-58(88)50-23-16-26-82(50)60(90)46(22-15-25-72-62(67)68)75-55(85)45(21-14-24-71-61(65)66)79-63(91)94-33-41-19-12-9-13-20-41/h8-13,17-20,31-32,35-39,44-52H,7,14-16,21-30,33-34H2,1-6H3,(H2,64,83)(H,69,73)(H,70,74)(H,75,85)(H,76,89)(H,77,86)(H,78,88)(H,79,91)(H,80,87)(H,81,84)(H,92,93)(H4,65,66,71)(H4,67,68,72)/t39-,44?,45?,46?,47-,48-,49-,50+,51?,52-/m0/s1 | MMDB
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| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline& French Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Steroid 5-alpha-reductase of rat ventral prostate tissue |
J Med Chem 33: 937-42 (1990)
BindingDB Entry DOI: 10.7270/Q2F76DR5 |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50366682
(CHEMBL1627395)Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CC[C@H]2[C@@H]3CCc4cc(ccc4[C@H]3CC[C@]12C)C(O)=O Show InChI InChI=1S/C26H37NO3/c1-15(2)27(16(3)4)24(28)23-11-10-22-21-9-6-17-14-18(25(29)30)7-8-19(17)20(21)12-13-26(22,23)5/h7-8,14-16,20-23H,6,9-13H2,1-5H3,(H,29,30)/t20-,21-,22+,23-,26+/m1/s1 | MMDB
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| 356 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline& French Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Steroid 5-alpha-reductase of rat ventral prostate tissue |
J Med Chem 33: 937-42 (1990)
BindingDB Entry DOI: 10.7270/Q2F76DR5 |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50016781
(CHEMBL176429)Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3C=Cc4cc(ccc4C3CC[C@]12C)C(O)=O |c:14| Show InChI InChI=1S/C20H32O3S/c1-2-3-4-9-14-24-15-17-16(18-12-13-19(17)23-18)10-7-5-6-8-11-20(21)22/h3-5,7,16-19H,2,6,8-15H2,1H3,(H,21,22)/b4-3+,7-5- | MMDB
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| 450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline& French Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Steroid 5-alpha-reductase of rat ventral prostate tissue |
J Med Chem 33: 937-42 (1990)
BindingDB Entry DOI: 10.7270/Q2F76DR5 |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50016782
(CHEMBL1627708)Show SMILES [H][C@@]12CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@]1([H])c3ccc(C(O)=O)c(F)c3CC[C@@]21[H] Show InChI InChI=1S/C20H34O3S/c1-2-3-4-9-14-24-15-17-16(18-12-13-19(17)23-18)10-7-5-6-8-11-20(21)22/h5,7,16-19H,2-4,6,8-15H2,1H3,(H,21,22)/b7-5- | MMDB
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| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline& French Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Steroid 5-alpha-reductase of rat ventral prostate tissue |
J Med Chem 33: 937-42 (1990)
BindingDB Entry DOI: 10.7270/Q2F76DR5 |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50406351
(CHEMBL427113)Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CC=C4C=C(C=C[C@]4(C)C3CC[C@]12C)C(O)=O |c:17,19,t:15| Show InChI InChI=1S/C27H39NO3/c1-16(2)28(17(3)4)24(29)23-10-9-21-20-8-7-19-15-18(25(30)31)11-13-26(19,5)22(20)12-14-27(21,23)6/h7,11,13,15-17,20-23H,8-10,12,14H2,1-6H3,(H,30,31)/t20?,21?,22?,23-,26+,27+/m1/s1 | MMDB
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| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline & French Laboratories
Curated by ChEMBL
| Assay Description
In vitro inhibition of Steroid 5-alpha-reductase in rat ventral prostates. |
J Med Chem 33: 943-50 (1990)
BindingDB Entry DOI: 10.7270/Q25D8QSB |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50017219
(CHEMBL1627982)Show SMILES [H][C@@]12CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@]1([H])c3ccc(C(O)=O)c(Cl)c3CC[C@@]21[H] Show InChI InChI=1S/C41H49Cl2N9O7/c1-40(2,3)59-39(56)50-34(15-25-18-46-32-8-5-4-7-29(25)32)38(55)52-13-6-9-35(52)37(54)49-33(17-27-19-45-23-48-27)36(53)47-20-28-21-57-41(58-28,22-51-14-12-44-24-51)30-11-10-26(42)16-31(30)43/h4-5,7-8,10-12,14,16,18,24,28,33-35,45-46H,6,9,13,15,17,19-23H2,1-3H3,(H,47,53)(H,49,54)(H,50,56)/t28-,33?,34?,35?,41-/m0/s1 | MMDB
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| 900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline& French Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Steroid 5-alpha-reductase of rat ventral prostate tissue |
J Med Chem 33: 937-42 (1990)
BindingDB Entry DOI: 10.7270/Q2F76DR5 |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50022534
(CHEMBL1628011)Show SMILES [H][C@@]12CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@]1([H])c3cc(C#N)c(cc3CC[C@@]21[H])C(O)=O Show InChI InChI=1S/C12H13N3O/c13-14-12(16)9-10-3-5-11(6-4-10)15-7-1-2-8-15/h1-8H,9,13H2,(H,14,16) | MMDB
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| 950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Smith Kline& French Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Steroid 5-alpha-reductase of rat ventral prostate tissue |
J Med Chem 33: 937-42 (1990)
BindingDB Entry DOI: 10.7270/Q2F76DR5 |
More data for this
Ligand-Target Pair | |
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