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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
| Ligand | BDBM50448693 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1297893 (CHEMBL3132106) | ||
| IC50 | 7.2±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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| BDBM50448693 | |||
| n/a | |||
| Name | BDBM50448693 | ||
| Synonyms: | CHEMBL3127857 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H29N3O4S | ||
| Mol. Mass. | 443.559 | ||
| SMILES | OC12CC3CC(C1)C(NC(=O)c1sc(OC4CC(C4)C#N)nc1[C@H]1CCCO1)C(C3)C2 |r,wD:23.25,TLB:8:7:29:30.1.2,6:1:7.5.4:29,THB:6:5:29:30.1.2,2:1:7:4.3.29,2:3:7:30.6.1,0:1:7:4.3.29,0:1:7.5.4:29,(20.14,-39,;18.6,-39.04,;18.64,-37.51,;17.25,-36.9,;16.19,-38.12,;16.16,-39.71,;17.56,-40.3,;14.66,-40.1,;13.33,-40.87,;12,-40.11,;11.99,-38.57,;10.66,-40.88,;9.43,-39.96,;8.17,-40.84,;6.72,-40.34,;5.61,-41.41,;4.08,-41.4,;4.06,-42.94,;5.6,-42.96,;2.95,-44.01,;1.85,-45.09,;8.63,-42.31,;10.17,-42.34,;11.05,-43.6,;10.56,-45.05,;11.79,-45.98,;13.05,-45.09,;12.6,-43.62,;15.88,-38.85,;15.89,-37.35,;17.19,-39.36,)| | ||
| Structure | 
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