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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
| Ligand | BDBM50334686 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_699052 (CHEMBL1646333) | ||
| IC50 | 1.4±n/a nM | ||
| Citation |  Sun, D; Wang, Z; Caille, S; DeGraffenreid, M; Gonzalez-Lopez de Turiso, F; Hungate, R; Jaen, JC; Jiang, B; Julian, LD; Kelly, R; McMinn, DL; Kaizerman, J; Rew, Y; Sudom, A; Tu, H; Ursu, S; Walker, N; Willcockson, M; Yan, X; Ye, Q; Powers, JP Synthesis and optimization of novel 4,4-disubstituted cyclohexylbenzamide derivatives as potent 11ß-HSD1 inhibitors. Bioorg Med Chem Lett21:405-10 (2010) [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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| BDBM50334686 | |||
| n/a | |||
| Name | BDBM50334686 | ||
| Synonyms: | CHEMBL1642590 | N-((4S)-4-(cyanomethyl)-4-phenylcyclohexyl)-N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H29F3N2O2 | ||
| Mol. Mass. | 470.5266 | ||
| SMILES | C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CC#N)(CC1)c1ccccc1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.26,(24.32,2.92,;25.66,3.69,;24.17,4.09,;27,2.93,;28.33,3.7,;29.67,2.94,;29.66,1.4,;28.34,.62,;27,1.38,;31,.63,;31,-.91,;32.33,1.41,;32.33,2.95,;33.1,4.28,;31.56,4.27,;33.67,.64,;35,1.42,;36.33,.64,;36.33,-.9,;37.66,-.12,;39,-.89,;40.34,-1.64,;35,-1.67,;33.67,-.9,;37.09,-2.23,;36.31,-3.56,;37.07,-4.89,;38.6,-4.9,;39.37,-3.57,;38.61,-2.24,;25.65,5.24,;26.98,6.01,;24.31,6,;25.24,6.72,)| | ||
| Structure | 
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