Reaction Details | |||
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Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Ligand | BDBM50192785 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_422286 (CHEMBL906986) | ||
IC50 | 36±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 1 | 11beta-HSD1A | Corticosteroid 11-beta-dehydrogenase isozyme 1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD-1) | DHI1_MOUSE | Hsd11 | Hsd11b1 | ||
Type: | Enzyme | ||
Mol. Mass.: | 32369.70 | ||
Organism: | Mus musculus (mouse) | ||
Description: | P50172 | ||
Residue: | 292 | ||
Sequence: |
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BDBM50192785 | |||
n/a | |||
Name | BDBM50192785 | ||
Synonyms: | CHEMBL385176 | N-((1R,2S,5R,7S)-5-carbamoylmethyl-adamantan-2-yl)-2-(5-cyano-pyridin-2-yloxy)-2-methyl-propionamide | ||
Type | Small organic molecule | ||
Emp. Form. | C22H28N4O3 | ||
Mol. Mass. | 396.4827 | ||
SMILES | CC(C)(Oc1ccc(cn1)C#N)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2 |wU:18.29,15.15,wD:20.20,22.24,TLB:14:15:27.18.19:21,THB:17:18:21:28.16.15,17:16:27.18.19:21,(3.27,-32.6,;1.95,-33.38,;.62,-32.6,;3.27,-34.16,;4.62,-33.41,;5.94,-34.2,;7.28,-33.45,;7.3,-31.9,;5.96,-31.12,;4.63,-31.88,;8.63,-31.15,;9.97,-30.39,;.61,-34.13,;.59,-35.67,;-.72,-33.35,;-2,-34.2,;-2.01,-35.73,;-3.03,-37,;-4.43,-36.44,;-4.44,-34.86,;-3.4,-33.62,;-4.74,-34.1,;-4.74,-35.58,;-6.07,-34.81,;-7.41,-35.57,;-8.75,-34.79,;-7.42,-37.11,;-5.93,-36.86,;-3.41,-36.07,)| | ||
Structure |