Reaction Details | |||
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Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Ligand | BDBM50294781 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_576303 (CHEMBL1030305) | ||
IC50 | 8±n/a nM | ||
Citation | Roche, D; Carniato, D; Leriche, C; Lepifre, F; Christmann-Franck, S; Graedler, U; Charon, C; Bozec, S; Doare, L; Schmidlin, F; Lecomte, M; Valeur, E Discovery and structure-activity relationships of pentanedioic acid diamides as potent inhibitors of 11beta-hydroxysteroid dehydrogenase type I. Bioorg Med Chem Lett19:2674-8 (2009) [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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BDBM50294781 | |||
n/a | |||
Name | BDBM50294781 | ||
Synonyms: | CHEMBL552159 | N-Adamantan-2-yl-4-(3-isopropyl-[1,2,4]oxadiazol-5-yl)-3,3-dimethyl-butyramide | ||
Type | Small organic molecule | ||
Emp. Form. | C21H33N3O2 | ||
Mol. Mass. | 359.5056 | ||
SMILES | CC(C)c1noc(CC(C)(C)CC(=O)NC2C3CC4CC(C3)CC2C4)n1 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(7.3,-4.75,;6.54,-3.41,;7.31,-2.08,;5,-3.41,;4.31,-4.78,;2.79,-4.55,;2.53,-3.04,;1.19,-2.27,;-.14,-3.05,;-1.24,-4.13,;.95,-4.13,;-1.47,-2.28,;-2.81,-3.05,;-2.8,-4.59,;-4.14,-2.29,;-5.42,-3.14,;-5.43,-4.67,;-6.83,-5.02,;-8.16,-4.53,;-9.35,-5.81,;-7.85,-5.39,;-6.45,-5.95,;-7.86,-3.8,;-6.82,-2.57,;-8.17,-3.04,;3.9,-2.33,)| | ||
Structure |