Reaction Details | |||
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Target | 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1 | ||
Ligand | BDBM50039286 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_329 (CHEMBL615302) | ||
Ki | 180±n/a nM | ||
Citation | Kenny, B; Ballard, S; Blagg, J; Fox, D Pharmacological options in the treatment of benign prostatic hyperplasia. J Med Chem40:1293-315 (1997) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1 | |||
Name: | 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1 | ||
Synonyms: | 3-beta-HSD I | 3-beta-hydroxy-5-ene steroid dehydrogenase | 3-beta-hydroxy-Delta(5)-steroid dehydrogenase | 3-beta-hydroxysteroid dehydrogenase/delta 5-->4-isomerase type I | 3BH | 3BHS1_HUMAN | Delta-5-3-ketosteroid isomerase | HSD3B1 | HSDB3A | Progesterone reductase | Trophoblast antigen FDO161G | ||
Type: | PROTEIN | ||
Mol. Mass.: | 42261.17 | ||
Organism: | Homo sapiens (Human) | ||
Description: | ChEMBL_241 | ||
Residue: | 373 | ||
Sequence: |
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BDBM50039286 | |||
n/a | |||
Name | BDBM50039286 | ||
Synonyms: | (1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[i]phenanthridine-1-carboxylic acid adamantan-2-yl ester | CHEMBL3085538 | ||
Type | Small organic molecule | ||
Emp. Form. | C29H41NO3 | ||
Mol. Mass. | 451.6407 | ||
SMILES | [H][C@@]12CC[C@H](C(=O)OC3[C@@]4([H])C[C@]5([H])C[C@@]([H])(C[C@@]3([H])C5)C4)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CNC2=CC(=O)CC[C@]12C |wU:4.4,22.26,38.45,9.9,12.12,28.33,wD:18.19,15.15,1.0,26.30,t:37,TLB:21:9:20:15.17.14,21:15:20:8.9.11,THB:7:8:20:15.17.14,14:15:8:12.20.11,14:12:8:15.21.17,(6.48,-14.35,;6.48,-12.81,;7.93,-13.3,;8.85,-12.07,;7.96,-10.81,;8.36,-9.31,;7.26,-8.21,;9.84,-8.89,;10.94,-9.98,;12.28,-9.5,;12.32,-7.96,;11.25,-10.74,;11.25,-12.33,;11.18,-13.87,;12.66,-12.89,;13.69,-11.62,;15.14,-12.14,;12.28,-11.96,;10.95,-11.46,;9.52,-10.9,;9.75,-12.75,;13.69,-10.09,;6.5,-11.27,;6.48,-9.73,;5.18,-10.48,;3.82,-11.23,;3.81,-12.77,;3.81,-14.31,;5.13,-13.57,;5.13,-12.03,;5.14,-15.1,;3.8,-15.86,;2.46,-15.09,;1.15,-15.86,;-.18,-15.09,;-1.52,-15.86,;-.18,-13.55,;1.15,-12.77,;2.48,-13.55,;2.46,-12,)| | ||
Structure |