Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Ligand | BDBM50448731 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1297892 (CHEMBL3132105) | ||
IC50 | 5.4±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: |
| ||
BDBM50448731 | |||
n/a | |||
Name | BDBM50448731 | ||
Synonyms: | CHEMBL3127868 | ||
Type | Small organic molecule | ||
Emp. Form. | C21H28N2O3S | ||
Mol. Mass. | 388.524 | ||
SMILES | O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(OCC4CC4)nc1C1CC1)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:8:7:25:26.1.2,6:1:7.5.4:25,THB:6:5:25:26.1.2,2:1:7:4.3.25,2:3:7:26.6.1,0:1:7:4.3.25,0:1:7.5.4:25,(19.29,-27.92,;17.75,-27.95,;17.79,-26.42,;16.4,-25.82,;15.34,-27.03,;15.31,-28.62,;16.72,-29.21,;13.81,-29.01,;12.48,-29.79,;11.15,-29.02,;11.14,-27.48,;9.82,-29.8,;8.59,-28.87,;7.33,-29.76,;5.87,-29.26,;4.71,-30.27,;3.25,-29.77,;2.23,-28.61,;1.73,-30.06,;7.78,-31.23,;9.32,-31.26,;10.21,-32.51,;10.34,-34.04,;11.6,-33.16,;15.03,-27.76,;15.04,-26.27,;16.35,-28.27,)| | ||
Structure |