Reaction Details | |||
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Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Ligand | BDBM50400143 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_878465 (CHEMBL2187379) | ||
IC50 | 32±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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BDBM50400143 | |||
n/a | |||
Name | BDBM50400143 | ||
Synonyms: | CHEMBL2179445 | ||
Type | Small organic molecule | ||
Emp. Form. | C22H30N4O3 | ||
Mol. Mass. | 398.4986 | ||
SMILES | O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(N[C@@H]4CCOC4)nc1C1CC1)C(C3)C2 |r,wU:7.8,wD:1.0,16.16,TLB:0:1:7:27.3.4,8:7:6.28.1:27.3.4,8:7:4:6.1.2,THB:0:1:7.26.27:4,2:1:7:27.3.4,2:3:7:6.28.1,28:26:4:6.1.2,28:1:7.26.27:4,(30.73,-3.51,;29.2,-3.49,;28.16,-2.37,;26.74,-2.92,;26.09,-4.19,;27.12,-5.27,;28.42,-4.71,;27.13,-7.01,;25.8,-7.78,;24.46,-7.02,;24.46,-5.48,;23.13,-7.79,;21.8,-7.03,;20.47,-7.8,;20.47,-9.35,;19.13,-10.11,;17.8,-9.34,;16.4,-9.96,;15.37,-8.82,;16.14,-7.49,;17.65,-7.81,;21.8,-10.12,;23.14,-9.34,;24.47,-10.11,;25.25,-11.45,;26.02,-10.11,;27.93,-5.68,;26.76,-4.36,;29.34,-5.12,)| | ||
Structure |