Reaction Details | |||
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Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Ligand | BDBM50448734 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1297897 (CHEMBL3132110) | ||
IC50 | 1.3±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 | 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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BDBM50448734 | |||
n/a | |||
Name | BDBM50448734 | ||
Synonyms: | CHEMBL3127865 | ||
Type | Small organic molecule | ||
Emp. Form. | C21H30N2O4S | ||
Mol. Mass. | 406.539 | ||
SMILES | COC[C@H](C)Oc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:24.27,3.3,wD:17.18,TLB:16:17:21:23.24.26,27:24:17.18.19:21,THB:27:18:21:23.24.26,26:24:17:19.20.21,26:20:17:23.27.24,25:24:17:19.20.21,25:24:17.18.19:21,(1.68,-19.21,;3.13,-19.71,;4.29,-18.7,;5.75,-19.2,;6.05,-20.71,;6.91,-18.18,;8.37,-18.68,;8.82,-20.16,;10.36,-20.18,;11.25,-21.43,;11.39,-22.97,;12.65,-22.08,;10.86,-18.72,;9.63,-17.8,;12.19,-17.95,;12.18,-16.41,;13.53,-18.71,;14.86,-17.94,;16.36,-17.55,;16.38,-15.96,;17.44,-14.74,;16.09,-15.2,;16.07,-16.69,;17.39,-17.2,;18.8,-16.88,;20.34,-16.84,;18.84,-15.35,;17.76,-18.14,)| | ||
Structure |