Found 48 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
3-oxo-5-alpha-steroid 4-dehydrogenase 2
(Homo sapiens (Human)) | 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7 | 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 human prostatic tissue expressed as apparent inhibition constant; Ra... |
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 2
(Homo sapiens (Human)) | 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7 | 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 human prostatic tissue expressed as apparent inhibition constant; Ra... |
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 2
(Homo sapiens (Human)) | 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 | PDB
Reactome pathway
KEGG
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PC sid
UniChem
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| 7 | 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 human prostatic tissue. |
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) | 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
UniProtKB/SwissProt
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| CHEMBL
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| PubMed
| 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) | 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 2
(Homo sapiens (Human)) | 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 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
| PubMed
| 26 | 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 human prostatic tissue. |
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 2
(Homo sapiens (Human)) | 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 | PDB
Reactome pathway
KEGG
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| Purchase
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| PubMed
| 30 | 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 human prostatic tissue expressed as apparent inhibition constant; Ra... |
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 2
(Homo sapiens (Human)) | 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 | PDB
Reactome pathway
KEGG
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| CHEMBL
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UniChem
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| 30 | 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 human prostatic tissue 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 2
(Homo sapiens (Human)) | 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 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
| PubMed
| 32 | 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 human prostatic tissue. |
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) | 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
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 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 2
(Homo sapiens (Human)) | 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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 human prostatic tissue. |
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
UniProtKB/SwissProt
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DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 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
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| CHEMBL
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UniChem
Similars
| PubMed
| 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 1/2
(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
UniProtKB/SwissProt
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UniChem
Similars
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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 2
(Homo sapiens (Human)) | 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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UniChem
Similars
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| 50 | 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 human prostatic tissue. |
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 2
(Homo sapiens (Human)) | 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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PC sid
UniChem
Similars
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| 52 | 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 human prostatic tissue. |
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 2
(Homo sapiens (Human)) | 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 60 | 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 human prostatic tissue. |
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 2
(Homo sapiens (Human)) | 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 62 | 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 human prostatic tissue. |
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) | 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
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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) | 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
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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 2
(Homo sapiens (Human)) | 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 85 | 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 human prostatic tissue. |
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 2
(Homo sapiens (Human)) | 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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 human prostatic tissue. |
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) | 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
UniProtKB/SwissProt
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DrugBank
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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 2
(Homo sapiens (Human)) | 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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 human prostatic tissue. |
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
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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) | 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
UniProtKB/SwissProt
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DrugBank
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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) | 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
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 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) | 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
UniProtKB/SwissProt
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DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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 2
(Homo sapiens (Human)) | 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 170 | 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 human prostatic tissue. |
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 2
(Homo sapiens (Human)) | BDBM50406345
(CHEMBL170233)Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CCC4=C[C@H](CC[C@]4(C)C3CC[C@]12C)C(O)=O |t:16| 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/h15-18,20-23H,7-14H2,1-6H3,(H,30,31)/t18-,20?,21?,22?,23+,26-,27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
In vitro inhibition of Steroid 5-alpha-reductase in human prostatic tissue. |
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) | 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
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
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 2
(Homo sapiens (Human)) | BDBM50406350
(CHEMBL2110261)Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CCC4=C[C@@](O)(CC[C@]4(C)C3CC[C@]12C)C(O)=O |t:16| Show InChI InChI=1S/C27H43NO4/c1-16(2)28(17(3)4)23(29)22-10-9-20-19-8-7-18-15-27(32,24(30)31)14-13-25(18,5)21(19)11-12-26(20,22)6/h15-17,19-22,32H,7-14H2,1-6H3,(H,30,31)/t19?,20?,21?,22-,25+,26+,27+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 220 | 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 human prostatic tissue. |
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) | 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
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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 2
(Homo sapiens (Human)) | BDBM50406347
(CHEMBL172525)Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CCC4=C[C@](O)(CC[C@]4(C)C3CC[C@]12C)C(O)=O |t:16| Show InChI InChI=1S/C27H43NO4/c1-16(2)28(17(3)4)23(29)22-10-9-20-19-8-7-18-15-27(32,24(30)31)14-13-25(18,5)21(19)11-12-26(20,22)6/h15-17,19-22,32H,7-14H2,1-6H3,(H,30,31)/t19?,20?,21?,22-,25+,26+,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 320 | 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 human prostatic tissue. |
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) | 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
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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 2
(Homo sapiens (Human)) | BDBM50406349
(CHEMBL170282)Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CCC4=C[C@@H](CC[C@]4(C)C3CC[C@]12C)C(O)=O |t:16| 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/h15-18,20-23H,7-14H2,1-6H3,(H,30,31)/t18-,20?,21?,22?,23-,26+,27+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 570 | 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 human prostatic tissue. |
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) | 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
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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 2
(Homo sapiens (Human)) | 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 790 | 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 human prostatic tissue. |
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) | BDBM50015037
(17-Diisopropylcarbamoyl-10,13-dimethyl-6-trifluoro...)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(F)(F)F |c:17,t:15| Show InChI InChI=1S/C28H40F3NO3/c1-15(2)32(16(3)4)24(33)21-8-7-19-18-14-23(28(29,30)31)22-13-17(25(34)35)9-11-27(22,6)20(18)10-12-26(19,21)5/h13,15-16,18-21H,7-12,14H2,1-6H3,(H,34,35)/t18?,19?,20?,21-,26+,27-/m1/s1 | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.00E+3 | 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) | BDBM50406345
(CHEMBL170233)Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CCC4=C[C@H](CC[C@]4(C)C3CC[C@]12C)C(O)=O |t:16| 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/h15-18,20-23H,7-14H2,1-6H3,(H,30,31)/t18-,20?,21?,22?,23+,26-,27-/m0/s1 | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.00E+3 | 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 2
(Homo sapiens (Human)) | 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.20E+3 | 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 human prostatic tissue. |
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 2
(Homo sapiens (Human)) | 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.00E+3 | 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 human prostatic tissue. |
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) | BDBM50406349
(CHEMBL170282)Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CCC4=C[C@@H](CC[C@]4(C)C3CC[C@]12C)C(O)=O |t:16| 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/h15-18,20-23H,7-14H2,1-6H3,(H,30,31)/t18-,20?,21?,22?,23-,26+,27+/m1/s1 | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+4 | 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) | BDBM50406350
(CHEMBL2110261)Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CCC4=C[C@@](O)(CC[C@]4(C)C3CC[C@]12C)C(O)=O |t:16| Show InChI InChI=1S/C27H43NO4/c1-16(2)28(17(3)4)23(29)22-10-9-20-19-8-7-18-15-27(32,24(30)31)14-13-25(18,5)21(19)11-12-26(20,22)6/h15-17,19-22,32H,7-14H2,1-6H3,(H,30,31)/t19?,20?,21?,22-,25+,26+,27+/m1/s1 | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+4 | 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) | BDBM50406347
(CHEMBL172525)Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CCC4=C[C@](O)(CC[C@]4(C)C3CC[C@]12C)C(O)=O |t:16| Show InChI InChI=1S/C27H43NO4/c1-16(2)28(17(3)4)23(29)22-10-9-20-19-8-7-18-15-27(32,24(30)31)14-13-25(18,5)21(19)11-12-26(20,22)6/h15-17,19-22,32H,7-14H2,1-6H3,(H,30,31)/t19?,20?,21?,22-,25+,26+,27-/m1/s1 | MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+4 | 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 2
(Homo sapiens (Human)) | BDBM50015037
(17-Diisopropylcarbamoyl-10,13-dimethyl-6-trifluoro...)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(F)(F)F |c:17,t:15| Show InChI InChI=1S/C28H40F3NO3/c1-15(2)32(16(3)4)24(33)21-8-7-19-18-14-23(28(29,30)31)22-13-17(25(34)35)9-11-27(22,6)20(18)10-12-26(19,21)5/h13,15-16,18-21H,7-12,14H2,1-6H3,(H,34,35)/t18?,19?,20?,21-,26+,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 700 | 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 human prostatic tissue expressed as apparent inhibition constant; Ra... |
J Med Chem 33: 943-50 (1990)
BindingDB Entry DOI: 10.7270/Q25D8QSB |
More data for this
Ligand-Target Pair | |
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