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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
| Ligand | BDBM13772 | ||
| Substrate/Competitor | BDBM13739 | ||
| Meas. Tech. | Human and Mouse 11beta-HSD1 SPA Assay | ||
| IC50 | 10±n/a nM | ||
| Citation |  Patel, JR; Shuai, Q; Dinges, J; Winn, M; Pliushchev, M; Fung, S; Monzon, K; Chiou, W; Wang, J; Pan, L; Wagaw, S; Engstrom, K; Kerdesky, FA; Longenecker, K; Judge, R; Qin, W; Imade, HM; Stolarik, D; Beno, DW; Brune, M; Chovan, LE; Sham, HL; Jacobson, P; Link, JT Discovery of adamantane ethers as inhibitors of 11beta-HSD-1: Synthesis and biological evaluation. Bioorg Med Chem Lett17:750-5 (2007) [PubMed] Article | ||
| More Info.: | Get all data from this article, Solution Info, 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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| BDBM13772 | |||
| BDBM13739 | |||
| Name | BDBM13772 | ||
| Synonyms: | 2-(2-chloro-4-fluorophenoxy)-2-methyl-N-[(1R,2S,5R,7S)-5-(1H-1,2,3,4-tetrazol-5-yl)adamantan-2-yl]propanamide | adamantane ether 26 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C21H25ClFN5O2 | ||
| Mol. Mass. | 433.907 | ||
| SMILES | CC(C)(Oc1ccc(F)cc1Cl)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)c1nnn[nH]1 |r,wU:18.18,20.20,15.15,wD:22.28,TLB:24:22:19:17.16.15,THB:17:18:21:24.16.15,23:18:15:24.21.22,25:22:19:17.16.15,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;15.76,-7.14,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.76,-6.71,;1.9,-7.99,;.42,-7.57,;.36,-6.03,;1.8,-5.5,)| | ||
| Structure | 
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