Reaction Details | |||
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Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Ligand | BDBM50399348 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_877632 (CHEMBL2184996) | ||
IC50 | 4±n/a nM | ||
Citation | Scott, JS; deSchoolmeester, J; Kilgour, E; Mayers, RM; Packer, MJ; Hargreaves, D; Gerhardt, S; Ogg, DJ; Rees, A; Selmi, N; Stocker, A; Swales, JG; Whittamore, PR Novel acidic 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD1) inhibitor with reduced acyl glucuronide liability: the discovery of 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid (AZD8329). J Med Chem55:10136-47 (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 | 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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BDBM50399348 | |||
n/a | |||
Name | BDBM50399348 | ||
Synonyms: | CHEMBL2177620 | ||
Type | Small organic molecule | ||
Emp. Form. | C23H27N3O3S | ||
Mol. Mass. | 425.544 | ||
SMILES | CCSc1c(cnn1-c1ccc(cc1)C(O)=O)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:19:20:22.29.23:27.25.26,29:28:26:22.23.24,THB:19:20:26:22.23.24,29:23:20.28.27:26,24:23:20:27.25.26,24:25:20:22.29.23,(-1.15,-44.09,;-2.05,-42.84,;-1.42,-41.44,;-2.34,-40.19,;-1.85,-38.73,;-3.11,-37.83,;-4.34,-38.73,;-3.88,-40.19,;-4.77,-41.44,;-6.3,-41.27,;-7.22,-42.51,;-6.58,-43.92,;-5.04,-44.07,;-4.15,-42.83,;-7.49,-45.16,;-9.03,-45,;-6.86,-46.57,;-.38,-38.26,;-.07,-36.76,;.76,-39.29,;2.22,-38.82,;3.42,-37.54,;4.75,-38.03,;6.14,-37.69,;6.15,-36.16,;4.76,-35.58,;3.41,-36.06,;3.72,-36.81,;3.72,-38.4,;5.13,-38.96,)| | ||
Structure |