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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
| Ligand | BDBM50448732 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1297892 (CHEMBL3132105) | ||
| IC50 | 4.8±n/a nM | ||
| Citation |  Goldberg, FW; Dossetter, AG; Scott, JS; Robb, GR; Boyd, S; Groombridge, SD; Kemmitt, PD; Sjögren, T; Gutierrez, PM; deSchoolmeester, J; Swales, JG; Turnbull, AV; Wild, MJ Optimization of brain penetrant 11ß-hydroxysteroid dehydrogenase type I inhibitors and in vivo testing in diet-induced obese mice. J Med Chem57:970-86 (2014) [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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| BDBM50448732 | |||
| n/a | |||
| Name | BDBM50448732 | ||
| Synonyms: | CHEMBL3127867 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H30N2O4S | ||
| Mol. Mass. | 418.55 | ||
| SMILES | O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(OC4CCOCC4)nc1C1CC1)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:8:7:27:28.1.2,6:1:7.5.4:27,THB:6:5:27:28.1.2,2:1:7:4.3.27,2:3:7:28.6.1,0:1:7:4.3.27,0:1:7.5.4:27,(59.78,-17.54,;58.24,-17.57,;58.28,-16.04,;56.89,-15.44,;55.82,-16.65,;55.8,-18.24,;57.2,-18.83,;54.3,-18.63,;52.97,-19.41,;51.63,-18.64,;51.63,-17.1,;50.3,-19.42,;49.07,-18.49,;47.81,-19.38,;46.35,-18.88,;45.03,-19.66,;43.7,-18.9,;42.37,-19.68,;42.38,-21.22,;43.72,-21.98,;45.06,-21.2,;48.26,-20.85,;49.8,-20.87,;50.7,-22.13,;50.83,-23.66,;52.09,-22.78,;55.52,-17.38,;55.53,-15.89,;56.83,-17.89,)| | ||
| Structure | 
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