Reaction Details | |||
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Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Ligand | BDBM50400157 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_878465 (CHEMBL2187379) | ||
IC50 | 16±n/a nM | ||
Citation | Goldberg, FW; Leach, AG; Scott, JS; Snelson, WL; Groombridge, SD; Donald, CS; Bennett, SN; Bodin, C; Gutierrez, PM; Gyte, AC Free-Wilson and structural approaches to co-optimizing human and rodent isoform potency for 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD1) inhibitors. J Med Chem55:10652-61 (2012) [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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BDBM50400157 | |||
n/a | |||
Name | BDBM50400157 | ||
Synonyms: | CHEMBL2179008 | ||
Type | Small organic molecule | ||
Emp. Form. | C23H32N4O4 | ||
Mol. Mass. | 428.5246 | ||
SMILES | O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(N[C@@H]4CCOC4)nc1OC1CCC1)C(C3)C2 |r,wU:7.8,wD:1.0,16.16,TLB:0:1:7:29.3.4,8:7:6.30.1:29.3.4,8:7:4:6.1.2,THB:0:1:7.28.29:4,2:1:7:29.3.4,2:3:7:6.30.1,30:28:4:6.1.2,30:1:7.28.29:4,(61.12,-46.21,;59.58,-46.19,;58.54,-45.07,;57.12,-45.62,;56.47,-46.89,;57.51,-47.97,;58.81,-47.41,;57.51,-49.71,;56.18,-50.49,;54.85,-49.72,;54.84,-48.18,;53.52,-50.5,;52.18,-49.73,;50.85,-50.5,;50.85,-52.05,;49.51,-52.82,;48.18,-52.05,;46.77,-52.67,;45.74,-51.52,;46.51,-50.19,;48.02,-50.51,;52.18,-52.82,;53.52,-52.05,;54.86,-52.82,;54.86,-54.36,;53.77,-55.44,;54.86,-56.53,;55.95,-55.44,;58.31,-48.38,;57.15,-47.06,;59.73,-47.82,)| | ||
Structure |