Found 218 hits of ic50 for UniProtKB: P31214 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 1/2
(Rattus norvegicus) | BDBM50216164
(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 | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2JW8FDB |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50025367
(4a,6a-Dimethyl-2-oxo-hexadecahydro-indeno[5,4-f]qu...)Show SMILES [H][C@@]12CC[C@H](C(=O)NCCCCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)CC[C@]12C |r| 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) | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.130 | 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) | BDBM50225985
(CHEMBL3349105)Show SMILES [H][C@@]12CC[C@H](C(=O)NCCCCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r| 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 | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.210 | 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 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
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MCE
PC cid
PC sid
PDB
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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 1/2
(Rattus norvegicus) | BDBM50025454
(1,4,4a,6a-Tetramethyl-2-oxo-hexadecahydro-indeno[5...)Show SMILES [H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r| 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 | MMDB
UniProtKB/SwissProt
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DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.560 | 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) | BDBM50025341
(4a,6a-Dimethyl-7-(3-methyl-butyryl)-hexadecahydro-...)Show SMILES [H][C@@]12CC[C@H](C(=O)C(C)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)CC[C@]12C |r| 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) | MMDB
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.20 | 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) | BDBM50215480
(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) | MMDB
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| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2DB841X |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50215529
(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) | MMDB
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2DB841X |
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
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70 | 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) | BDBM50025332
(1,4a,6a-Trimethyl-7-(2-methyl-butyryl)-hexadecahyd...)Show SMILES [H][C@@]12CC[C@H](C(=O)C(C)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r| 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 | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
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| n/a | n/a | 1.90 | 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) | BDBM50032282
(4-(2-{(E)-3-[1-(1-Propyl-butyl)-1H-indol-5-yl]-but...)Show SMILES CCCC(CCC)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C29H36N2O4/c1-4-9-24(10-5-2)31-17-16-23-20-22(14-15-26(23)31)21(3)19-28(32)30-25-11-6-7-12-27(25)35-18-8-13-29(33)34/h6-7,11-12,14-17,19-20,24H,4-5,8-10,13,18H2,1-3H3,(H,30,32)(H,33,34)/b21-19+ | MMDB
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PC cid
PC sid
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PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats |
J Med Chem 38: 2887-92 (1995)
Article DOI: 10.1021/jm00015a011
BindingDB Entry DOI: 10.7270/Q2B27Z0N |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50025415
(CHEMBL3349288 | N,N-Diethyl-2-(1,4a,6a-trimethyl-2...)Show SMILES [H][C@@]12CC\C(=C/C(=O)N(CC)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r| 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+ | MMDB
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 2.5 | 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) | 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 | MMDB
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CHEMBL
MCE
PC cid
PC sid
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| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2DB841X |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50025353
(7-(1-Hydroxy-ethyl)-1,4a,6a-trimethyl-hexadecahydr...)Show SMILES [H][C@@]12C[C@@H](C)[C@H](C(C)O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[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 | MMDB
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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| n/a | n/a | 2.80 | 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) | BDBM50215478
(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) | MMDB
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| CHEMBL
PC cid
PC sid
UniChem
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| PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2DB841X |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50215474
(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) | MMDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2DB841X |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(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+ | MMDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats |
J Med Chem 38: 2887-92 (1995)
Article DOI: 10.1021/jm00015a011
BindingDB Entry DOI: 10.7270/Q2B27Z0N |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50025413
(4-(1,4a,6a-Trimethyl-2-oxo-hexadecahydro-indeno[5,...)Show SMILES [H][C@@]12CC[C@H](C(C)CCC(=O)N(CC)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[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 | MMDB
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| n/a | n/a | 3.40 | 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) | BDBM50025375
(7-Acetyl-1,4a,6a,8-tetramethyl-hexadecahydro-inden...)Show SMILES [H][C@@]12C[C@@H](C)[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C 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 | MMDB
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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) | BDBM50215475
(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) | MMDB
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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)
BindingDB Entry DOI: 10.7270/Q2DB841X |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50405303
(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 | MMDB
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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) | BDBM50025399
(CHEMBL1790293 | Sodium; 4-(1,4a,6a-trimethyl-2-oxo...)Show SMILES [Na+].[H][C@@]12CC[C@H](C(C)CCC([O-])=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[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 | MMDB
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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) | BDBM50470304
(CHEMBL98478)Show SMILES C\C(=C/C(=O)Nc1ccc(F)cc1OCCCC(O)=O)c1ccc2n(ccc2c1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H31FN2O4/c1-24(21-33(39)37-30-16-15-29(36)23-32(30)42-20-8-13-34(40)41)27-14-17-31-28(22-27)18-19-38(31)35(25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-7,9-12,14-19,21-23,35H,8,13,20H2,1H3,(H,37,39)(H,40,41)/b24-21+ | MMDB
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Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats |
J Med Chem 38: 2887-92 (1995)
Article DOI: 10.1021/jm00015a011
BindingDB Entry DOI: 10.7270/Q2B27Z0N |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50025337
(7-(2-Hydroxy-1-methyl-ethyl)-1,4a,6a-trimethyl-hex...)Show SMILES [H][C@@]12CC[C@H](C(C)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[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 | MMDB
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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 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| | KEGG
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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 1/2
(Rattus norvegicus) | BDBM50215461
(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) | MMDB
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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)
BindingDB Entry DOI: 10.7270/Q2DB841X |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50032281
(4-(2-{(E)-3-[1-(1-Propyl-pentyl)-1H-indol-5-yl]-bu...)Show SMILES CCCCC(CCC)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C30H38N2O4/c1-4-6-11-25(10-5-2)32-18-17-24-21-23(15-16-27(24)32)22(3)20-29(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)/b22-20+ | MMDB
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Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats |
J Med Chem 38: 2887-92 (1995)
Article DOI: 10.1021/jm00015a011
BindingDB Entry DOI: 10.7270/Q2B27Z0N |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50057477
(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) | MMDB
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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)
BindingDB Entry DOI: 10.7270/Q2DB841X |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50025379
(1,4a,6a-Trimethyl-2-oxo-hexadecahydro-indeno[5,4-f...)Show SMILES [H][C@@]12CC[C@H](C(=O)NCC(OC)OC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r| 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) | MMDB
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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) | BDBM50025330
(1',4a',6a'-trimethylspiro[tetrahydrofuran-2,7'-per...)Show SMILES [H][C@@]12CC[C@@]3(CCCO3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](C)CC2N(C)C(=O)CC[C@]12C 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 | MMDB
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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) | BDBM50215530
(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) | MMDB
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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)
BindingDB Entry DOI: 10.7270/Q2DB841X |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50032288
(4-{2-[(E)-3-(1-Benzhydryl-1H-indol-5-yl)-but-2-eno...)Show SMILES C\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(ccc2c1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H32N2O4/c1-25(23-33(38)36-30-15-8-9-16-32(30)41-22-10-17-34(39)40)28-18-19-31-29(24-28)20-21-37(31)35(26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-9,11-16,18-21,23-24,35H,10,17,22H2,1H3,(H,36,38)(H,39,40)/b25-23+ | MMDB
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Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats |
J Med Chem 38: 2887-92 (1995)
Article DOI: 10.1021/jm00015a011
BindingDB Entry DOI: 10.7270/Q2B27Z0N |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50470291
(CHEMBL95410)Show SMILES CCCCC(C)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C28H34N2O4/c1-4-5-9-21(3)30-16-15-23-19-22(13-14-25(23)30)20(2)18-27(31)29-24-10-6-7-11-26(24)34-17-8-12-28(32)33/h6-7,10-11,13-16,18-19,21H,4-5,8-9,12,17H2,1-3H3,(H,29,31)(H,32,33)/b20-18+ | MMDB
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Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats |
J Med Chem 38: 2887-92 (1995)
Article DOI: 10.1021/jm00015a011
BindingDB Entry DOI: 10.7270/Q2B27Z0N |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50216167
(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 | MMDB
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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)
BindingDB Entry DOI: 10.7270/Q2JW8FDB |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50025455
(4a,6a-Dimethyl-2-oxo-hexadecahydro-indeno[5,4-f]qu...)Show SMILES [H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)CC[C@]12C |r| 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) | MMDB
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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) | BDBM50470283
(CHEMBL421752)Show SMILES CC(C)CC(c1ccccc1)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C33H36N2O4/c1-23(2)20-30(25-10-5-4-6-11-25)35-18-17-27-22-26(15-16-29(27)35)24(3)21-32(36)34-28-12-7-8-13-31(28)39-19-9-14-33(37)38/h4-8,10-13,15-18,21-23,30H,9,14,19-20H2,1-3H3,(H,34,36)(H,37,38)/b24-21+ | MMDB
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats |
J Med Chem 38: 2887-92 (1995)
Article DOI: 10.1021/jm00015a011
BindingDB Entry DOI: 10.7270/Q2B27Z0N |
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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PC sid
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| n/a | n/a | 6.80 | 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) | BDBM50025395
((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 |r| 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 | MMDB
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.80 | 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) | BDBM50470301
(CHEMBL99824)Show SMILES CCCCC(CC)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C29H36N2O4/c1-4-6-10-24(5-2)31-17-16-23-20-22(14-15-26(23)31)21(3)19-28(32)30-25-11-7-8-12-27(25)35-18-9-13-29(33)34/h7-8,11-12,14-17,19-20,24H,4-6,9-10,13,18H2,1-3H3,(H,30,32)(H,33,34)/b21-19+ | MMDB
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats |
J Med Chem 38: 2887-92 (1995)
Article DOI: 10.1021/jm00015a011
BindingDB Entry DOI: 10.7270/Q2B27Z0N |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50470289
(CHEMBL96030)Show SMILES CCCC(C(C)C)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C29H36N2O4/c1-5-9-25(20(2)3)31-16-15-23-19-22(13-14-26(23)31)21(4)18-28(32)30-24-10-6-7-11-27(24)35-17-8-12-29(33)34/h6-7,10-11,13-16,18-20,25H,5,8-9,12,17H2,1-4H3,(H,30,32)(H,33,34)/b21-18+ | MMDB
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B.MOAD
DrugBank
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats |
J Med Chem 38: 2887-92 (1995)
Article DOI: 10.1021/jm00015a011
BindingDB Entry DOI: 10.7270/Q2B27Z0N |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50025364
(2-(1,4a,6a-Trimethyl-2-oxo-hexadecahydro-indeno[5,...)Show SMILES [H][C@@]12CC[C@H](C(C)C#N)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r| 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 | MMDB
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro antagonist activity against rat prostatic androgen receptor (AR) |
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) | 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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DrugBank
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| PubMed
| n/a | n/a | 7.60 | 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) | 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
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.60 | 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) | BDBM50470272
(CHEMBL431270)Show SMILES CCCC(C)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C27H32N2O4/c1-4-8-20(3)29-15-14-22-18-21(12-13-24(22)29)19(2)17-26(30)28-23-9-5-6-10-25(23)33-16-7-11-27(31)32/h5-6,9-10,12-15,17-18,20H,4,7-8,11,16H2,1-3H3,(H,28,30)(H,31,32)/b19-17+ | MMDB
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats |
J Med Chem 38: 2887-92 (1995)
Article DOI: 10.1021/jm00015a011
BindingDB Entry DOI: 10.7270/Q2B27Z0N |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50025447
(CHEMBL3085570 | N,N-Diethyl-2-(1,4a,6a-trimethyl-2...)Show SMILES [H][C@@]12CC[C@H](CC(=O)N(CC)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[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 | MMDB
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| n/a | n/a | 7.90 | 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) | BDBM50032264
(4-(2-{(E)-3-[1-(1-Isobutyl-3-methyl-butyl)-1H-indo...)Show SMILES CC(C)CC(CC(C)C)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C31H40N2O4/c1-21(2)17-26(18-22(3)4)33-15-14-25-20-24(12-13-28(25)33)23(5)19-30(34)32-27-9-6-7-10-29(27)37-16-8-11-31(35)36/h6-7,9-10,12-15,19-22,26H,8,11,16-18H2,1-5H3,(H,32,34)(H,35,36)/b23-19+ | MMDB
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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats |
J Med Chem 38: 2887-92 (1995)
Article DOI: 10.1021/jm00015a011
BindingDB Entry DOI: 10.7270/Q2B27Z0N |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50470263
(CHEMBL99811)Show SMILES C\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(ccc2c1)C(c1ccccc1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C36H31F3N2O4/c1-24(22-33(42)40-30-10-5-6-11-32(30)45-21-7-12-34(43)44)27-15-18-31-28(23-27)19-20-41(31)35(25-8-3-2-4-9-25)26-13-16-29(17-14-26)36(37,38)39/h2-6,8-11,13-20,22-23,35H,7,12,21H2,1H3,(H,40,42)(H,43,44)/b24-22+ | MMDB
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats |
J Med Chem 38: 2887-92 (1995)
Article DOI: 10.1021/jm00015a011
BindingDB Entry DOI: 10.7270/Q2B27Z0N |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50470268
(CHEMBL319506)Show SMILES COc1ccc(cc1)C(c1ccccc1)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C36H34N2O5/c1-25(23-34(39)37-31-11-6-7-12-33(31)43-22-8-13-35(40)41)28-16-19-32-29(24-28)20-21-38(32)36(26-9-4-3-5-10-26)27-14-17-30(42-2)18-15-27/h3-7,9-12,14-21,23-24,36H,8,13,22H2,1-2H3,(H,37,39)(H,40,41)/b25-23+ | MMDB
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B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats |
J Med Chem 38: 2887-92 (1995)
Article DOI: 10.1021/jm00015a011
BindingDB Entry DOI: 10.7270/Q2B27Z0N |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50470293
(CHEMBL329690)Show SMILES C\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(ccc2c1)C(c1ccc(C)cc1)c1ccc(C)cc1 Show InChI InChI=1S/C37H36N2O4/c1-25-10-14-28(15-11-25)37(29-16-12-26(2)13-17-29)39-21-20-31-24-30(18-19-33(31)39)27(3)23-35(40)38-32-7-4-5-8-34(32)43-22-6-9-36(41)42/h4-5,7-8,10-21,23-24,37H,6,9,22H2,1-3H3,(H,38,40)(H,41,42)/b27-23+ | MMDB
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats |
J Med Chem 38: 2887-92 (1995)
Article DOI: 10.1021/jm00015a011
BindingDB Entry DOI: 10.7270/Q2B27Z0N |
More data for this
Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50470260
(CHEMBL99860)Show SMILES CCCC(c1ccccc1)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C32H34N2O4/c1-3-10-28(24-11-5-4-6-12-24)34-19-18-26-22-25(16-17-29(26)34)23(2)21-31(35)33-27-13-7-8-14-30(27)38-20-9-15-32(36)37/h4-8,11-14,16-19,21-22,28H,3,9-10,15,20H2,1-2H3,(H,33,35)(H,36,37)/b23-21+ | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats |
J Med Chem 38: 2887-92 (1995)
Article DOI: 10.1021/jm00015a011
BindingDB Entry DOI: 10.7270/Q2B27Z0N |
More data for this
Ligand-Target Pair | |
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