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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
| Ligand | BDBM50243635 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_543487 (CHEMBL1018653) | ||
| IC50 | 0.76±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: |
| ||
| BDBM50243635 | |||
| n/a | |||
| Name | BDBM50243635 | ||
| Synonyms: | (S)-N-[trans-4-(4-Cyanophenyl)cyclohexyl]-4-[1,1,1-trifluoro-2-hydroxypropan-2-yl]-N-cyclopropylbenzamide | CHEMBL511828 | N-((1r,4S)-4-(4-cyanophenyl)cyclohexyl)-N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide | ||
| Type | Small organic molecule | ||
| Emp. Form. | C26H27F3N2O2 | ||
| Mol. Mass. | 456.5 | ||
| SMILES | C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@H](CC1)c1ccc(cc1)C#N)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.23,(-8.78,-33.82,;-8.02,-32.49,;-9.36,-31.72,;-6.68,-33.26,;-6.69,-34.8,;-5.35,-35.57,;-4.01,-34.8,;-4.02,-33.25,;-5.35,-32.49,;-2.68,-35.57,;-2.68,-37.11,;-1.35,-34.8,;-1.35,-33.26,;-.59,-31.92,;-2.13,-31.92,;-.01,-35.57,;1.31,-34.79,;2.65,-35.57,;2.65,-37.11,;1.31,-37.88,;-.02,-37.11,;3.97,-37.88,;3.97,-39.42,;5.3,-40.19,;6.63,-39.43,;6.63,-37.88,;5.3,-37.11,;7.97,-40.2,;9.29,-40.97,;-7.25,-31.15,;-6.49,-29.81,;-5.91,-31.92,;-8.59,-30.39,)| | ||
| Structure | 
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