Reaction Details | |||
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Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Ligand | BDBM50195502 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_425005 (CHEMBL912530) | ||
Ki | 68±n/a nM | ||
Citation | Richards, S; Sorensen, B; Jae, HS; Winn, M; Chen, Y; Wang, J; Fung, S; Monzon, K; Frevert, EU; Jacobson, P; Sham, H; Link, JT Discovery of potent and selective inhibitors of 11beta-HSD1 for the treatment of metabolic syndrome. Bioorg Med Chem Lett16:6241-5 (2006) [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 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD-1) | DHI1_RAT | Hsd11 | Hsd11b1 | ||
Type: | Enzyme | ||
Mol. Mass.: | 31889.48 | ||
Organism: | Rattus norvegicus (rat) | ||
Description: | P16232 | ||
Residue: | 288 | ||
Sequence: |
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BDBM50195502 | |||
n/a | |||
Name | BDBM50195502 | ||
Synonyms: | CHEMBL221261 | N-((1s,4s)-4-((cyclohexylmethyl)carbamoyl)cyclohexyl)-4-amino-3,5-dichloro-N-cyclopropylbenzamide | ||
Type | Small organic molecule | ||
Emp. Form. | C24H33Cl2N3O2 | ||
Mol. Mass. | 466.444 | ||
SMILES | Nc1c(Cl)cc(cc1Cl)C(=O)N(C1CC1)[C@H]1CC[C@H](CC1)C(=O)NCC1CCCCC1 |wU:18.23,15.16,(.04,-25.21,;-1.3,-24.44,;-1.31,-22.89,;.03,-22.12,;-2.64,-22.13,;-3.97,-22.9,;-3.97,-24.44,;-2.64,-25.21,;-2.64,-26.75,;-5.3,-22.13,;-5.3,-20.59,;-6.64,-22.9,;-7.97,-22.13,;-8.74,-20.79,;-9.51,-22.13,;-6.64,-24.44,;-5.3,-25.21,;-5.31,-26.75,;-6.64,-27.52,;-7.97,-26.74,;-7.97,-25.21,;-6.65,-29.06,;-7.99,-29.82,;-5.32,-29.83,;-5.32,-31.37,;-3.99,-32.15,;-4.01,-33.69,;-2.68,-34.46,;-1.34,-33.7,;-1.34,-32.15,;-2.67,-31.38,)| | ||
Structure |