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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
| Ligand | BDBM50334679 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_699055 (CHEMBL1646336) | ||
| IC50 | >100±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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| BDBM50334679 | |||
| n/a | |||
| Name | BDBM50334679 | ||
| Synonyms: | CHEMBL1642599 | N-((4S)-4-(3-amino-3-oxopropyl)-4-(pyridin-2-yl)cyclohexyl)-N-cyclopropyl-4-((S)-1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H32F3N3O3 | ||
| Mol. Mass. | 503.5565 | ||
| SMILES | C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@](CCC(N)=O)(CC1)c1ccccn1)C(F)(F)F |r,wU:1.0,15.16,wD:1.1,18.28,(-9.42,-25.72,;-8.09,-24.94,;-9.58,-24.55,;-6.75,-25.71,;-5.42,-24.93,;-4.09,-25.7,;-4.09,-27.24,;-5.41,-28.01,;-6.74,-27.25,;-2.75,-28,;-2.75,-29.54,;-1.42,-27.23,;-1.43,-25.69,;-.66,-24.36,;-2.2,-24.36,;-.09,-27.99,;1.24,-27.22,;2.57,-27.99,;2.57,-29.54,;3.99,-28.94,;5.21,-29.88,;6.64,-29.29,;7.86,-30.22,;6.83,-27.76,;1.24,-30.3,;-.09,-29.53,;3.33,-30.86,;4.85,-30.87,;5.61,-32.19,;4.84,-33.52,;3.31,-33.51,;2.55,-32.18,;-8.1,-23.4,;-6.77,-22.63,;-9.43,-22.64,;-8.5,-21.92,)| | ||
| Structure | 
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