Reaction Details | |||
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Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Ligand | BDBM50192796 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_422284 (CHEMBL856010) | ||
IC50 | 146±n/a nM | ||
Citation | Yeh, VS; Patel, JR; Yong, H; Kurukulasuriya, R; Fung, S; Monzon, K; Chiou, W; Wang, J; Stolarik, D; Imade, H; Beno, D; Brune, M; Jacobson, P; Sham, H; Link, JT Synthesis and biological evaluation of heterocycle containing adamantane 11beta-HSD1 inhibitors. Bioorg Med Chem Lett16:5414-9 (2006) [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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BDBM50192796 | |||
n/a | |||
Name | BDBM50192796 | ||
Synonyms: | CHEMBL219575 | N-[(1R,2S,5S,7S)-5-(5-amino-4-cyano-oxazol-2-yl)-adamantan-2-yl]-2-(4-chloro-phenoxy)-2-methyl-propionamide | ||
Type | Small organic molecule | ||
Emp. Form. | C24H27ClN4O3 | ||
Mol. Mass. | 454.949 | ||
SMILES | CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)c1nc(C#N)c(N)o1 |wU:17.18,14.14,wD:19.19,21.27,TLB:13:14:22.17.18:20,THB:14:19:22:23.16.15,16:17:20:23.15.14,16:15:22.17.18:20,(12.06,-2.17,;10.74,-2.95,;9.41,-2.17,;12.07,-3.74,;13.37,-2.93,;14.73,-3.65,;16.03,-2.84,;15.98,-1.3,;17.29,-.49,;14.62,-.58,;13.31,-1.39,;9.4,-3.71,;9.38,-5.25,;8.07,-2.92,;6.79,-3.77,;6.78,-5.3,;5.76,-6.58,;4.36,-6.01,;4.35,-4.43,;5.39,-3.19,;4.05,-3.67,;4.05,-5.16,;2.86,-6.43,;5.38,-5.65,;2.71,-4.38,;2.55,-2.85,;1.04,-2.52,;.41,-1.11,;-.21,.3,;.26,-3.86,;-1.27,-4.02,;1.3,-5.01,)| | ||
Structure |