Reaction Details | |||
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Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Ligand | BDBM50400155 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_878465 (CHEMBL2187379) | ||
IC50 | 19±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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BDBM50400155 | |||
n/a | |||
Name | BDBM50400155 | ||
Synonyms: | CHEMBL2179010 | ||
Type | Small organic molecule | ||
Emp. Form. | C24H34N4O4 | ||
Mol. Mass. | 442.5512 | ||
SMILES | O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(NC4CCOCC4)nc1OC1CCC1)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,(16.09,-4.04,;14.56,-4.02,;13.52,-2.9,;12.1,-3.45,;11.45,-4.72,;12.48,-5.8,;13.78,-5.24,;12.49,-7.54,;11.16,-8.32,;9.82,-7.55,;9.82,-6.01,;8.49,-8.33,;7.15,-7.56,;5.83,-8.33,;5.82,-9.88,;4.49,-10.65,;3.15,-9.88,;3.16,-8.34,;1.84,-7.57,;.5,-8.33,;.49,-9.87,;1.83,-10.65,;7.16,-10.65,;8.5,-9.88,;9.83,-10.65,;9.83,-12.19,;8.75,-13.28,;9.84,-14.37,;10.93,-13.27,;13.29,-6.21,;12.12,-4.89,;14.7,-5.65,)| | ||
Structure |