Reaction Details | |||
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Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Ligand | BDBM50400153 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_878465 (CHEMBL2187379) | ||
IC50 | 31±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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BDBM50400153 | |||
n/a | |||
Name | BDBM50400153 | ||
Synonyms: | CHEMBL2179012 | ||
Type | Small organic molecule | ||
Emp. Form. | C21H30N4O4 | ||
Mol. Mass. | 402.4873 | ||
SMILES | OCCNc1ncc(C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)c(OC2CCC2)n1 |r,wU:11.10,wD:18.19,TLB:19:18:11:15.14.13,10:11:21.17.18:15.14.13,10:11:13:21.18.20,THB:19:18:11.16.15:13,20:18:11:15.14.13,20:14:11:21.17.18,17:16:13:21.18.20,17:18:11.16.15:13,(38.1,-6.82,;39.43,-7.59,;39.43,-9.13,;40.77,-9.9,;42.1,-9.13,;42.1,-7.58,;43.43,-6.81,;44.77,-7.58,;46.1,-6.8,;46.09,-5.26,;47.44,-7.57,;48.77,-6.79,;48.76,-5.05,;47.73,-3.97,;48.38,-2.7,;48.4,-4.14,;49.57,-5.46,;50.98,-4.9,;50.84,-3.27,;52.37,-3.29,;49.79,-2.15,;50.06,-4.49,;44.77,-9.13,;46.11,-9.9,;46.11,-11.44,;45.02,-12.52,;46.11,-13.61,;47.2,-12.52,;43.44,-9.9,)| | ||
Structure |