Reaction Details | |||
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Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Ligand | BDBM50400175 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_878466 (CHEMBL2187380) | ||
IC50 | 23±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 | 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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BDBM50400175 | |||
n/a | |||
Name | BDBM50400175 | ||
Synonyms: | CHEMBL2179018 | ||
Type | Small organic molecule | ||
Emp. Form. | C25H36N4O3 | ||
Mol. Mass. | 440.5783 | ||
SMILES | O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(NC4CCOCC4)nc1C1CCCC1)C(C3)C2 |r,wU:7.8,wD:1.0,TLB:0:1:7:30.3.4,8:7:6.31.1:30.3.4,8:7:4:6.1.2,THB:0:1:7.29.30:4,2:1:7:30.3.4,2:3:7:6.31.1,31:29:4:6.1.2,31:1:7.29.30:4,(33.54,-50.69,;32.01,-50.68,;30.97,-49.56,;29.55,-50.1,;28.9,-51.37,;29.93,-52.45,;31.23,-51.89,;29.94,-54.19,;28.61,-54.97,;27.27,-54.2,;27.27,-52.66,;25.94,-54.98,;24.61,-54.22,;23.28,-54.99,;23.28,-56.53,;21.94,-57.3,;20.61,-56.53,;20.62,-54.99,;19.29,-54.22,;17.95,-54.98,;17.95,-56.52,;19.28,-57.3,;24.61,-57.3,;25.95,-56.53,;27.28,-57.3,;27.45,-58.82,;28.95,-59.14,;29.72,-57.81,;28.69,-56.66,;30.74,-52.87,;29.57,-51.54,;32.15,-52.3,)| | ||
Structure |