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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
| Ligand | BDBM50248211 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_543487 (CHEMBL1018653) | ||
| IC50 | 14±n/a nM | ||
| Citation |  McMinn, DL; Rew, Y; Sudom, A; Caille, S; Degraffenreid, M; He, X; Hungate, R; Jiang, B; Jaen, J; Julian, LD; Kaizerman, J; Novak, P; Sun, D; Tu, H; Ursu, S; Walker, NP; Yan, X; Ye, Q; Wang, Z; Powers, JP Optimization of novel di-substituted cyclohexylbenzamide derivatives as potent 11 beta-HSD1 inhibitors. Bioorg Med Chem Lett19:1446-50 (2009) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| 11-beta-hydroxysteroid dehydrogenase 1 | |||
| Name: | 11-beta-hydroxysteroid dehydrogenase 1 | ||
| Synonyms: | 11-DH | 11-beta-HSD1 | 11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1) | 11-beta-hydroxysteroid dehydrogenase | 11-beta-hydroxysteroid dehydrogenase 1 (11HSD1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD-1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11beta-HSD1) | DHI1_HUMAN | HSD11 | HSD11B1 | HSD11L | SDR26C1 | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 32409.16 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P28845 | ||
| Residue: | 292 | ||
| Sequence: |
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| BDBM50248211 | |||
| n/a | |||
| Name | BDBM50248211 | ||
| Synonyms: | CHEMBL526305 | N-cyclopropyl-N-((1s,4R)-4-cyclopropyl-4-hydroxycyclohexyl)-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide | N-cyclopropyl-N-(cis-4-cyclopropyl-4-hydroxycyclohexyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H28F3NO3 | ||
| Mol. Mass. | 411.4578 | ||
| SMILES | C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](O)(CC1)C1CC1)C(F)(F)F |r,wU:1.2,15.16,18.20,wD:1.1,(8.96,-18.52,;9.72,-17.18,;10.49,-15.85,;11.06,-17.95,;11.06,-19.5,;12.39,-20.27,;13.73,-19.49,;13.72,-17.94,;12.39,-17.18,;15.06,-20.26,;15.06,-21.8,;16.39,-19.49,;16.39,-17.95,;17.16,-16.62,;15.62,-16.62,;17.73,-20.26,;19.05,-19.49,;20.39,-20.26,;20.39,-21.81,;21.72,-21.02,;19.05,-22.57,;17.72,-21.8,;21.72,-22.58,;22.49,-23.91,;23.26,-22.57,;8.38,-16.41,;7.05,-15.64,;7.62,-17.75,;9.15,-15.08,)| | ||
| Structure | 
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