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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
| Ligand | BDBM50329306 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_675392 (CHEMBL1273472) | ||
| IC50 | 1.9±n/a nM | ||
| Citation |  Tice, CM; Zhao, W; Krosky, PM; Kruk, BA; Berbaum, J; Johnson, JA; Bukhtiyarov, Y; Panemangalore, R; Scott, BB; Zhao, Y; Bruno, JG; Howard, L; Togias, J; Ye, YJ; Singh, SB; McKeever, BM; Lindblom, PR; Guo, J; Guo, R; Nar, H; Schuler-Metz, A; Gregg, RE; Leftheris, K; Harrison, RK; McGeehan, GM; Zhuang, L; Claremon, DA Discovery and optimization of adamantyl carbamate inhibitors of 11ß-HSD1. Bioorg Med Chem Lett20:6725-9 (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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| BDBM50329306 | |||
| n/a | |||
| Name | BDBM50329306 | ||
| Synonyms: | (R)-3-(2-Trifluoromethyl-pyrimidin-4-ylamino)-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester | CHEMBL1271114 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C21H26F3N5O3 | ||
| Mol. Mass. | 453.458 | ||
| SMILES | NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1ccnc(n1)C(F)(F)F)C(C3)C2 |r,wU:16.19,9.10,wD:3.2,TLB:6:5:31:8.7.9,6:7:4.5.30:31,THB:9:7:4:30.29.31,9:29:4:8.6.7,10:9:4.5.30:31,(6.77,-10.92,;8.12,-10.15,;8.12,-8.61,;9.46,-10.93,;8.26,-12.2,;9.76,-11.78,;11.17,-12.35,;12.18,-11.07,;10.79,-11.42,;12.19,-9.54,;13.53,-8.79,;14.86,-9.57,;14.85,-11.11,;16.2,-8.81,;16.23,-7.26,;17.7,-6.81,;18.59,-8.07,;17.66,-9.3,;20.13,-8.1,;20.92,-6.78,;22.46,-6.81,;23.25,-5.49,;22.5,-4.14,;20.95,-4.12,;20.17,-5.44,;20.2,-2.78,;20.99,-1.45,;18.66,-2.76,;19.41,-1.44,;10.8,-8.96,;9.76,-10.2,;9.45,-9.44,)| | ||
| Structure | 
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