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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
| Ligand | BDBM13769 | ||
| Substrate/Competitor | BDBM13739 | ||
| Meas. Tech. | Human and Mouse 11beta-HSD1 SPA Assay | ||
| pH | 7.2±n/a | ||
| Temperature | 295.15±n/a K | ||
| IC50 | 13±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, Inhibition_Run data, 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 | 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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| BDBM13769 | |||
| BDBM13739 | |||
| Name | BDBM13769 | ||
| Synonyms: | 2-(4-chlorophenoxy)-2-methyl-N-[(1R,2S,5R,7S)-5-{[(methylcarbamoyl)amino]carbonyl}adamantan-2-yl]propanamide | adamantane ether 23 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H30ClN3O4 | ||
| Mol. Mass. | 447.955 | ||
| SMILES | CNC(=O)NC(=O)[C@@]12C[C@@H]3CC(C1)[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@H](C3)C2 |r,wU:9.9,28.30,13.14,wD:7.6,TLB:12:7:29:10.11.13,10:9:30:12.11.13,THB:8:9:13:12.30.7,5:7:29:10.11.13,(-1.09,-7.85,;.24,-8.62,;1.58,-7.85,;2.91,-8.62,;1.58,-6.31,;2.91,-5.54,;2.51,-4.05,;4.24,-6.31,;3.21,-7.32,;4.72,-7.16,;6.94,-7.93,;7.61,-6.76,;6.26,-7.03,;7.61,-5.22,;8.94,-4.45,;10.27,-5.22,;10.27,-6.76,;11.61,-4.45,;10.84,-3.12,;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,;6.04,-4.32,;4.72,-5.12,;4.24,-5.07,)| | ||
| Structure | 
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