Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Ligand | BDBM50448715 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1297897 (CHEMBL3132110) | ||
IC50 | 3.6±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: |
| ||
BDBM50448715 | |||
n/a | |||
Name | BDBM50448715 | ||
Synonyms: | CHEMBL3127874 | ||
Type | Small organic molecule | ||
Emp. Form. | C19H26N2O3S | ||
Mol. Mass. | 362.486 | ||
SMILES | Cc1nc([C@H]2CCCO2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:21.24,wD:14.15,4.3,TLB:13:14:18:20.21.23,24:21:14.15.16:18,THB:24:15:18:20.21.23,23:21:14:16.17.18,23:17:14:20.24.21,22:21:14:16.17.18,22:21:14.15.16:18,(21.14,-50.48,;22.6,-50.98,;23.05,-52.45,;24.59,-52.47,;25.49,-53.73,;24.99,-55.19,;26.22,-56.11,;27.48,-55.22,;27.03,-53.75,;25.09,-51.02,;23.86,-50.09,;26.42,-50.24,;26.42,-48.7,;27.76,-51,;29.09,-50.23,;30.59,-49.84,;30.61,-48.25,;31.68,-47.04,;30.32,-47.49,;30.3,-48.98,;31.62,-49.49,;33.03,-49.17,;34.57,-49.14,;33.07,-47.64,;31.99,-50.43,)| | ||
Structure |