Found 225 hits with Last Name = 'reynolds' and Initial = 'gf' 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 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
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent inhibitory constant value for rat prostatic steroid 5-alpha reductase was determined |
J Med Chem 29: 2298-315 (1986)
BindingDB Entry DOI: 10.7270/Q2XG9RQR |
More data for this Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50213061
(CHEMBL2298601)Show SMILES CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C24H40N2O2/c1-6-26(7-2)22(28)19-10-9-17-16-8-11-20-24(4,15-13-21(27)25(20)5)18(16)12-14-23(17,19)3/h16-20H,6-15H2,1-5H3/t16-,17-,18-,19+,20+,23-,24+/m0/s1 | MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent inhibitory constant value for rat prostatic steroid 5alpha reductase was determined |
J Med Chem 29: 2298-315 (1986)
BindingDB Entry DOI: 10.7270/Q2XG9RQR |
More data for this Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50367296
(CHEMBL1790284)Show SMILES CC(O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C Show InChI InChI=1S/C21H35NO3/c1-13(23)21(25)12-8-16-14-5-6-17-19(2,10-9-18(24)22(17)4)15(14)7-11-20(16,21)3/h13-17,23,25H,5-12H2,1-4H3/t13?,14-,15+,16+,17?,19-,20+,21+/m1/s1 | MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent inhibitory constant value for rat prostatic steroid 5-alpha reductase was determined |
J Med Chem 29: 2298-315 (1986)
BindingDB Entry DOI: 10.7270/Q2XG9RQR |
More data for this Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50226049
(CHEMBL3349139)Show SMILES [H][C@@]12CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)CC[C@]12C |r| Show InChI InChI=1S/C25H42N2O2/c1-15(2)27(16(3)4)23(29)20-9-8-18-17-7-10-21-25(6,14-12-22(28)26-21)19(17)11-13-24(18,20)5/h15-21H,7-14H2,1-6H3,(H,26,28)/t17-,18-,19-,20+,21?,24-,25+/m0/s1 | MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent inhibitory constant value for rat prostatic steroid 5-alpha reductase was determined |
J Med Chem 29: 2298-315 (1986)
BindingDB Entry DOI: 10.7270/Q2XG9RQR |
More data for this Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50025400
(1'-ethyl-4a',6a'-dimethylspiro[tetrahydrofuran-2,7...)Show SMILES [H][C@@]12CC[C@@]3(CCCO3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C Show InChI InChI=1S/C23H37NO2/c1-4-24-19-7-6-16-17(21(19,2)12-10-20(24)25)8-13-22(3)18(16)9-14-23(22)11-5-15-26-23/h16-19H,4-15H2,1-3H3/t16?,17?,18?,19?,21?,22?,23-/m0/s1 | MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent inhibitory constant value for rat prostatic steroid 5-alpha reductase was determined |
J Med Chem 29: 2298-315 (1986)
BindingDB Entry DOI: 10.7270/Q2XG9RQR |
More data for this Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50216166
(CHEMBL3349181)Show SMILES [H][C@@]12CC[C@H](C(=O)N(CC)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])NC(=O)CC[C@]12C |r| Show InChI InChI=1S/C23H38N2O2/c1-5-25(6-2)21(27)18-9-8-16-15-7-10-19-23(4,14-12-20(26)24-19)17(15)11-13-22(16,18)3/h15-19H,5-14H2,1-4H3,(H,24,26)/t15-,16-,17-,18+,19-,22-,23+/m0/s1 | MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent inhibitory constant value for rat prostatic steroid 5-alpha reductase was determined |
J Med Chem 29: 2298-315 (1986)
BindingDB Entry DOI: 10.7270/Q2XG9RQR |
More data for this Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | BDBM50225982
(CHEMBL3349117)Show SMILES [H][C@@]12CC[C@H](C(=O)OC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)CC[C@]12C |r| Show InChI InChI=1S/C20H31NO3/c1-19-10-8-14-12(13(19)5-6-15(19)18(23)24-3)4-7-16-20(14,2)11-9-17(22)21-16/h12-16H,4-11H2,1-3H3,(H,21,22)/t12-,13-,14-,15+,16?,19-,20+/m0/s1 | MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 133 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase |
J Med Chem 29: 2298-315 (1986)
BindingDB Entry DOI: 10.7270/Q2XG9RQR |
More data for this Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | 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
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 165 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Apparent inhibitory constant value for rat prostatic 5-alpha reductase was determined |
J Med Chem 29: 2298-315 (1986)
BindingDB Entry DOI: 10.7270/Q2XG9RQR |
More data for this Ligand-Target Pair | |
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2
(Rattus norvegicus) | 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 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
B.MOAD 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
UniProtKB/SwissProt
B.MOAD DrugBank 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 | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM50025425
(17-Hydroxy-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2CC(=O)C=C[C@]12C |r,c:22| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12,14-17,21H,3-6,8,10-11H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD 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 |
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) | 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
| PubMed
| 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 | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM18161
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | 2.20 | 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 | 3D Structure (crystal) |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM50025417
(7-Hydroxy-1,4a,6a-trimethyl-1,4a,4b,5,6,6a,7,8,9,9...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])N(C)C(=O)C=C[C@]12C |r,c:24| Show InChI InChI=1S/C19H29NO2/c1-18-11-9-17(22)20(3)15(18)6-4-12-13-5-7-16(21)19(13,2)10-8-14(12)18/h9,11-16,21H,4-8,10H2,1-3H3/t12?,13?,14?,15-,16?,18?,19?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 2.40 | 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) | 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
B.MOAD DrugBank 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) | 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
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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 | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM8885
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Similars
| PDB PubMed
| n/a | n/a | 3.20 | 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 | 3D Structure (crystal) |
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
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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) | 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
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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) | 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
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 3.5 | 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) | 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
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 3.60 | 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) | 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
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 3.80 | 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) | 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
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 4.60 | 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) | 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
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 4.60 | 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) | 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
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 6.30 | 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
B.MOAD DrugBank GoogleScholar AffyNet
| 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) | 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
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
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 | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM50025443
(7-Hydroxy-1,4a,6a-trimethyl-1,3,4,4a,4b,5,6,6a,7,8...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2N(C)C(=O)CC[C@]12C |r,t:17| Show InChI InChI=1S/C19H29NO2/c1-18-11-9-17(22)20(3)15(18)6-4-12-13-5-7-16(21)19(13,2)10-8-14(12)18/h6,12-14,16,21H,4-5,7-11H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 7.40 | 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
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
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) | 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) | 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
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 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) | 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
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 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) | BDBM50226049
(CHEMBL3349139)Show SMILES [H][C@@]12CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)CC[C@]12C |r| Show InChI InChI=1S/C25H42N2O2/c1-15(2)27(16(3)4)23(29)20-9-8-18-17-7-10-21-25(6,14-12-22(28)26-21)19(17)11-13-24(18,20)5/h15-21H,7-14H2,1-6H3,(H,26,28)/t17-,18-,19-,20+,21?,24-,25+/m0/s1 | MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 11 | 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) | BDBM50213061
(CHEMBL2298601)Show SMILES CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C24H40N2O2/c1-6-26(7-2)22(28)19-10-9-17-16-8-11-20-24(4,15-13-21(27)25(20)5)18(16)12-14-23(17,19)3/h16-20H,6-15H2,1-5H3/t16-,17-,18-,19+,20+,23-,24+/m0/s1 | MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 11 | 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) | BDBM50225983
(CHEMBL3349111)Show SMILES [H][C@@]12CC[C@H](C(=O)NCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r| Show InChI InChI=1S/C22H36N2O2/c1-5-23-20(26)17-8-7-15-14-6-9-18-22(3,13-11-19(25)24(18)4)16(14)10-12-21(15,17)2/h14-18H,5-13H2,1-4H3,(H,23,26)/t14-,15-,16-,17+,18?,21-,22+/m0/s1 | MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 12 | 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 | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM50025385
(Acetic acid 17-acetyl-10,13-dimethyl-6-methylene-3...)Show SMILES [H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=C)C2=CC(=O)CC[C@]12C |t:25| Show InChI InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13,18-20H,1,6-12H2,2-5H3/t18?,19?,20?,22?,23?,24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 12 | 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) | BDBM50025388
(CHEMBL1790288 | N,N-Diethyl-2-(1,4a,6a-trimethyl-2...)Show SMILES [H][C@@]12CC[C@H](C(C)C(=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/C26H44N2O2/c1-7-28(8-2)24(30)17(3)19-10-11-20-18-9-12-22-26(5,16-14-23(29)27(22)6)21(18)13-15-25(19,20)4/h17-22H,7-16H2,1-6H3/t17?,18-,19+,20-,21-,22?,25+,26+/m0/s1 | MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 13 | 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) | BDBM50025449
(1,4a,6a-Trimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b...)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)C=C[C@]12C |r,c:29| Show InChI InChI=1S/C20H30N2O2/c1-19-10-8-14-12(13(19)5-6-15(19)18(21)24)4-7-16-20(14,2)11-9-17(23)22(16)3/h9,11-16H,4-8,10H2,1-3H3,(H2,21,24)/t12?,13?,14?,15?,16-,19?,20?/m1/s1 | MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 13 | 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 | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM50025381
(1,4a,6a-Trimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b...)Show SMILES [H][C@@]12CC[C@H](C(=O)OC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])N(C)C(=O)C=C[C@]12C |c:27| Show InChI InChI=1S/C21H31NO3/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/h10,12-17H,5-9,11H2,1-4H3/t13?,14?,15?,16?,17-,20?,21?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 13 | 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) | BDBM50025352
(CHEMBL3349083 | Sodium; 2-(1,4a,6a-trimethyl-2-oxo...)Show SMILES [Na+].[H][C@@]12CC[C@H](C(C)C([O-])=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2N(C)C(=O)CC[C@]12C |r,t:21| Show InChI InChI=1S/C22H33NO3/c1-13(20(25)26)15-6-7-16-14-5-8-18-22(3,12-10-19(24)23(18)4)17(14)9-11-21(15,16)2/h8,13-17H,5-7,9-12H2,1-4H3,(H,25,26)/p-1 | MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 13 | 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 | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM50025351
(1,4a,6a-Trimethyl-7-(1H-pyrrole-2-carbonyl)-1,4a,4...)Show SMILES [H][C@@]12CC[C@H](C(=O)c3ccc[nH]3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)C=C[C@]12C |r,c:30| Show InChI InChI=1S/C24H32N2O2/c1-23-12-10-17-15(6-9-20-24(17,2)13-11-21(27)26(20)3)16(23)7-8-18(23)22(28)19-5-4-14-25-19/h4-5,11,13-18,20,25H,6-10,12H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 15 | 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) | BDBM50025333
(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?/m0/s1 | MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 16 | 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) | BDBM50225996
(CHEMBL3349104)Show SMILES [H][C@@]12CC[C@H](C(N)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r| Show InChI InChI=1S/C20H32N2O2/c1-19-10-8-14-12(13(19)5-6-15(19)18(21)24)4-7-16-20(14,2)11-9-17(23)22(16)3/h12-16H,4-11H2,1-3H3,(H2,21,24)/t12-,13-,14-,15+,16?,19-,20+/m0/s1 | MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 17 | 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 | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM50421737
(CHEMBL2311174)Show SMILES CN1C2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O Show InChI InChI=1S/C19H31NO2/c1-18-11-9-17(22)20(3)15(18)6-4-12-13-5-7-16(21)19(13,2)10-8-14(12)18/h12-16,21H,4-11H2,1-3H3/t12-,13-,14-,15?,16-,18+,19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 19 | 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) | BDBM50025371
(7-(1-Hydroxy-ethyl)-1,4a,6a,8-tetramethyl-hexadeca...)Show SMILES [H][C@@]12CC[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/C22H37NO2/c1-13-12-17-15-6-7-18-21(3,11-9-19(25)23(18)5)16(15)8-10-22(17,4)20(13)14(2)24/h13-18,20,24H,6-12H2,1-5H3/t13-,14?,15?,16?,17?,18?,20?,21?,22?/m1/s1 | MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Steroid 5-alpha-reductase from rat prostate |
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) | BDBM50025372
(4,10,13-Trimethyl-3-oxo-octadecahydro-4-aza-cyclop...)Show SMILES CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C |r| Show InChI InChI=1S/C25H40N2O2/c1-6-27(7-2)23(29)19-10-9-17-15-8-11-21-25(4,18(15)12-13-24(17,19)3)20-14-16(20)22(28)26(21)5/h15-21H,6-14H2,1-5H3/t15?,16-,17?,18?,19?,20?,21-,24?,25?/m1/s1 | MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 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) | BDBM50226048
(CHEMBL3349088)Show SMILES [H][C@@]12CC[C@H](C(=O)NCCCCCCCCCCCCCCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r| Show InChI InChI=1S/C38H68N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-39-36(42)33-23-22-31-30-21-24-34-38(3,28-26-35(41)40(34)4)32(30)25-27-37(31,33)2/h30-34H,5-29H2,1-4H3,(H,39,42)/t30-,31-,32-,33+,34?,37-,38+/m0/s1 | MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 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 | |