Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50041003 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)) | 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
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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Patents
Similars
| Article
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent inhibition constant towards human Steroid 5-alpha-reductase type 2 |
Bioorg Med Chem Lett 4: 2327-2330 (1994)
Article DOI: 10.1016/0960-894X(94)85034-8 BindingDB Entry DOI: 10.7270/Q25Q4X8P |
More data for this Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 2
(Homo sapiens (Human)) | BDBM50403324
(CHEMBL78060)Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CC=C4C=C(CC[C@]4(C)C3CC[C@]12C)P(O)O |c:17,t:15| Show InChI InChI=1S/C26H42NO3P/c1-16(2)27(17(3)4)24(28)23-10-9-21-20-8-7-18-15-19(31(29)30)11-13-25(18,5)22(20)12-14-26(21,23)6/h7,15-17,20-23,29-30H,8-14H2,1-6H3/t20?,21?,22?,23-,25+,26+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent inhibition constant towards human Steroid 5-alpha-reductase type 2 |
Bioorg Med Chem Lett 4: 2327-2330 (1994)
Article DOI: 10.1016/0960-894X(94)85034-8 BindingDB Entry DOI: 10.7270/Q25Q4X8P |
More data for this Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 2
(Homo sapiens (Human)) | 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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent inhibition constant towards human Steroid 5-alpha-reductase type 2 |
Bioorg Med Chem Lett 4: 2327-2330 (1994)
Article DOI: 10.1016/0960-894X(94)85034-8 BindingDB Entry DOI: 10.7270/Q25Q4X8P |
More data for this Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1
(Homo sapiens (Human)) | BDBM50044879
((4aR,10bR)-8-Chloro-4,10b-dimethyl-1,4,4a,5,6,10b-...)Show InChI InChI=1S/C15H18ClNO/c1-15-8-7-14(18)17(2)13(15)6-3-10-9-11(16)4-5-12(10)15/h4-5,9,13H,3,6-8H2,1-2H3/t13-,15-/m1/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent inhibition constant towards human Steroid 5-alpha-reductase type I |
Bioorg Med Chem Lett 4: 2327-2330 (1994)
Article DOI: 10.1016/0960-894X(94)85034-8 BindingDB Entry DOI: 10.7270/Q25Q4X8P |
More data for this Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1
(Homo sapiens (Human)) | 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 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
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Similars
| Article
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent inhibition constant towards human Steroid 5-alpha-reductase type I |
Bioorg Med Chem Lett 4: 2327-2330 (1994)
Article DOI: 10.1016/0960-894X(94)85034-8 BindingDB Entry DOI: 10.7270/Q25Q4X8P |
More data for this Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 2
(Homo sapiens (Human)) | BDBM50057501
((S)-7-Chloro-4a-methyl-3,4,4a,9-tetrahydro-phenant...)Show SMILES C[C@]12CCC(=CC1=CCc1cc(Cl)ccc21)C(O)=O |c:4,7| Show InChI InChI=1S/C16H15ClO2/c1-16-7-6-11(15(18)19)8-12(16)3-2-10-9-13(17)4-5-14(10)16/h3-5,8-9H,2,6-7H2,1H3,(H,18,19)/t16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent inhibition constant towards human Steroid 5-alpha-reductase type 2 |
Bioorg Med Chem Lett 4: 2327-2330 (1994)
Article DOI: 10.1016/0960-894X(94)85034-8 BindingDB Entry DOI: 10.7270/Q25Q4X8P |
More data for this Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1
(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 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article
| 410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent inhibition constant towards human Steroid 5-alpha-reductase type I |
Bioorg Med Chem Lett 4: 2327-2330 (1994)
Article DOI: 10.1016/0960-894X(94)85034-8 BindingDB Entry DOI: 10.7270/Q25Q4X8P |
More data for this Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1
(Homo sapiens (Human)) | BDBM50057501
((S)-7-Chloro-4a-methyl-3,4,4a,9-tetrahydro-phenant...)Show SMILES C[C@]12CCC(=CC1=CCc1cc(Cl)ccc21)C(O)=O |c:4,7| Show InChI InChI=1S/C16H15ClO2/c1-16-7-6-11(15(18)19)8-12(16)3-2-10-9-13(17)4-5-14(10)16/h3-5,8-9H,2,6-7H2,1H3,(H,18,19)/t16-/m0/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent inhibition constant towards human Steroid 5-alpha-reductase type I |
Bioorg Med Chem Lett 4: 2327-2330 (1994)
Article DOI: 10.1016/0960-894X(94)85034-8 BindingDB Entry DOI: 10.7270/Q25Q4X8P |
More data for this Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 2
(Homo sapiens (Human)) | BDBM50403325
(CHEMBL76998)Show InChI InChI=1S/C15H16ClO2P/c1-15-7-6-13(19(17)18)9-11(15)3-2-10-8-12(16)4-5-14(10)15/h3-5,8-9,17-18H,2,6-7H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent inhibition constant towards human Steroid 5-alpha-reductase type 2 |
Bioorg Med Chem Lett 4: 2327-2330 (1994)
Article DOI: 10.1016/0960-894X(94)85034-8 BindingDB Entry DOI: 10.7270/Q25Q4X8P |
More data for this Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 2
(Homo sapiens (Human)) | BDBM50403326
(CHEMBL449649)Show SMILES COc1cccc2c1CC=C1C=C(CCC21C)C(O)=O |c:12,t:10| Show InChI InChI=1S/C17H18O3/c1-17-9-8-11(16(18)19)10-12(17)6-7-13-14(17)4-3-5-15(13)20-2/h3-6,10H,7-9H2,1-2H3,(H,18,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent inhibition constant towards human Steroid 5-alpha-reductase type 2 |
Bioorg Med Chem Lett 4: 2327-2330 (1994)
Article DOI: 10.1016/0960-894X(94)85034-8 BindingDB Entry DOI: 10.7270/Q25Q4X8P |
More data for this Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 2
(Homo sapiens (Human)) | BDBM50403323
(CHEMBL310915)Show SMILES COc1cccc2c1CC=C1C=C(CCC21C)P(O)O |c:12,t:10| Show InChI InChI=1S/C16H19O3P/c1-16-9-8-12(20(17)18)10-11(16)6-7-13-14(16)4-3-5-15(13)19-2/h3-6,10,17-18H,7-9H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent inhibition constant towards human Steroid 5-alpha-reductase type 2 |
Bioorg Med Chem Lett 4: 2327-2330 (1994)
Article DOI: 10.1016/0960-894X(94)85034-8 BindingDB Entry DOI: 10.7270/Q25Q4X8P |
More data for this Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1
(Homo sapiens (Human)) | BDBM50403325
(CHEMBL76998)Show InChI InChI=1S/C15H16ClO2P/c1-15-7-6-13(19(17)18)9-11(15)3-2-10-8-12(16)4-5-14(10)15/h3-5,8-9,17-18H,2,6-7H2,1H3 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent inhibition constant towards human Steroid 5-alpha-reductase type I |
Bioorg Med Chem Lett 4: 2327-2330 (1994)
Article DOI: 10.1016/0960-894X(94)85034-8 BindingDB Entry DOI: 10.7270/Q25Q4X8P |
More data for this Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1
(Homo sapiens (Human)) | BDBM50403323
(CHEMBL310915)Show SMILES COc1cccc2c1CC=C1C=C(CCC21C)P(O)O |c:12,t:10| Show InChI InChI=1S/C16H19O3P/c1-16-9-8-12(20(17)18)10-11(16)6-7-13-14(16)4-3-5-15(13)19-2/h3-6,10,17-18H,7-9H2,1-2H3 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article
| 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent inhibition constant towards human Steroid 5-alpha-reductase type I |
Bioorg Med Chem Lett 4: 2327-2330 (1994)
Article DOI: 10.1016/0960-894X(94)85034-8 BindingDB Entry DOI: 10.7270/Q25Q4X8P |
More data for this Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1
(Homo sapiens (Human)) | BDBM50403326
(CHEMBL449649)Show SMILES COc1cccc2c1CC=C1C=C(CCC21C)C(O)=O |c:12,t:10| Show InChI InChI=1S/C17H18O3/c1-17-9-8-11(16(18)19)10-12(17)6-7-13-14(17)4-3-5-15(13)20-2/h3-6,10H,7-9H2,1-2H3,(H,18,19) | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent inhibition constant towards human Steroid 5-alpha-reductase type I |
Bioorg Med Chem Lett 4: 2327-2330 (1994)
Article DOI: 10.1016/0960-894X(94)85034-8 BindingDB Entry DOI: 10.7270/Q25Q4X8P |
More data for this Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 2
(Homo sapiens (Human)) | BDBM50403327
(CHEMBL75294)Show SMILES COc1ccc2c(CC=C3C=C(CCC23C)C(O)=O)c1 |c:10,t:8| Show InChI InChI=1S/C17H18O3/c1-17-8-7-12(16(18)19)9-13(17)4-3-11-10-14(20-2)5-6-15(11)17/h4-6,9-10H,3,7-8H2,1-2H3,(H,18,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent inhibition constant towards human Steroid 5-alpha-reductase type 2 |
Bioorg Med Chem Lett 4: 2327-2330 (1994)
Article DOI: 10.1016/0960-894X(94)85034-8 BindingDB Entry DOI: 10.7270/Q25Q4X8P |
More data for this Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1
(Homo sapiens (Human)) | BDBM50403324
(CHEMBL78060)Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CC=C4C=C(CC[C@]4(C)C3CC[C@]12C)P(O)O |c:17,t:15| Show InChI InChI=1S/C26H42NO3P/c1-16(2)27(17(3)4)24(28)23-10-9-21-20-8-7-18-15-19(31(29)30)11-13-25(18,5)22(20)12-14-26(21,23)6/h7,15-17,20-23,29-30H,8-14H2,1-6H3/t20?,21?,22?,23-,25+,26+/m1/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent inhibition constant towards human Steroid 5-alpha-reductase type I |
Bioorg Med Chem Lett 4: 2327-2330 (1994)
Article DOI: 10.1016/0960-894X(94)85034-8 BindingDB Entry DOI: 10.7270/Q25Q4X8P |
More data for this Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 2
(Homo sapiens (Human)) | BDBM50044879
((4aR,10bR)-8-Chloro-4,10b-dimethyl-1,4,4a,5,6,10b-...)Show InChI InChI=1S/C15H18ClNO/c1-15-8-7-14(18)17(2)13(15)6-3-10-9-11(16)4-5-12(10)15/h4-5,9,13H,3,6-8H2,1-2H3/t13-,15-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent inhibition constant towards human Steroid 5-alpha-reductase type 2 |
Bioorg Med Chem Lett 4: 2327-2330 (1994)
Article DOI: 10.1016/0960-894X(94)85034-8 BindingDB Entry DOI: 10.7270/Q25Q4X8P |
More data for this Ligand-Target Pair | |