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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | 17-beta-hydroxysteroid dehydrogenase type 1 | ||
| Ligand | BDBM50188388 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_362610 (CHEMBL853212) | ||
| IC50 | >30000±n/a nM | ||
| Citation |  Schuster, D; Maurer, EM; Laggner, C; Nashev, LG; Wilckens, T; Langer, T; Odermatt, A The discovery of new 11beta-hydroxysteroid dehydrogenase type 1 inhibitors by common feature pharmacophore modeling and virtual screening. J Med Chem49:3454-66 (2006) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| 17-beta-hydroxysteroid dehydrogenase type 1 | |||
| Name: | 17-beta-hydroxysteroid dehydrogenase type 1 | ||
| Synonyms: | 17-beta-HSD 1 | 17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1) | 17-beta-hydroxysteroid dehydrogenase type 1 | 20 alpha-hydroxysteroid dehydrogenase | 20-alpha-HSD | DHB1_HUMAN | E17KSR | E2DH | EDH17B1 | EDH17B2 | EDHB17 | Estradiol 17-beta-dehydrogenase 1 | Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) | HSD17B1 | Placental 17-beta-hydroxysteroid dehydrogenase | SDR28C1 | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 34945.13 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P14061 | ||
| Residue: | 328 | ||
| Sequence: |
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| BDBM50188388 | |||
| n/a | |||
| Name | BDBM50188388 | ||
| Synonyms: | (R)-2-((2S,4aR,6S,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-hydroxy-2,4a,6,6a,6b,9,9,12a,14b-nonamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxamido)-3-phenylpropanoic acid | CHEMBL380677 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C41H59NO5 | ||
| Mol. Mass. | 645.9109 | ||
| SMILES | C[C@H]1C[C@@]2(C)CC[C@@](C)(C[C@@]2(C)C2=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]12C)C(=O)N[C@H](Cc1ccccc1)C(O)=O |t:13| | ||
| Structure | 
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