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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase | ||
| Ligand | BDBM50340480 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_741233 (CHEMBL1764602) | ||
| IC50 | 43000±n/a nM | ||
| Citation |  Thomas, ST; Yang, X; Sampson, NS Inhibition of the M. tuberculosis 3β-hydroxysteroid dehydrogenase by azasteroids. Bioorg Med Chem Lett21:2216-9 (2011) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase | |||
| Name: | 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase | ||
| Synonyms: | 3BHS_MYCTU | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 40743.62 | ||
| Organism: | Mycobacterium tuberculosis | ||
| Description: | ChEMBL_741233 | ||
| Residue: | 370 | ||
| Sequence: |
| ||
| BDBM50340480 | |||
| n/a | |||
| Name | BDBM50340480 | ||
| Synonyms: | (9aS,9bS,12S,12aS,14aS,14bR)-N,N-diethyl-12a,14b-dimethyl-3-oxo-1,2,3,4,5,6,7,9,9a,9b,10,11,12,12a,13,14,14a,14b-octadecahydroazepino[3,2,1-de]cyclopenta[i]phenanthridine-12-carboxamide | CHEMBL1762037 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H42N2O2 | ||
| Mol. Mass. | 426.6346 | ||
| SMILES | CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CN4CCCCC5=C4[C@](C)(CCC5=O)[C@H]3CC[C@]12C |r,c:18| | ||
| Structure | 
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