Reaction Details | |||
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Target | 11-beta-hydroxysteroid dehydrogenase 1 | ||
Ligand | BDBM50400147 | ||
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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BDBM50400147 | |||
n/a | |||
Name | BDBM50400147 | ||
Synonyms: | CHEMBL2179014 | ||
Type | Small organic molecule | ||
Emp. Form. | C24H34N4O3 | ||
Mol. Mass. | 426.5518 | ||
SMILES | O[C@@]12CC3CC(C1)[C@H](NC(=O)c1cnc(N[C@H]4CCOC4)nc1C1CCCC1)C(C3)C2 |r,wU:7.8,16.16,wD:1.0,TLB:0:1:7:29.3.4,8:7:6.30.1:29.3.4,8:7:4:6.1.2,THB:0:1:7.28.29:4,2:1:7:29.3.4,2:3:7:6.30.1,30:28:4:6.1.2,30:1:7.28.29:4,(33.95,-38.8,;32.42,-38.79,;31.38,-37.67,;29.96,-38.21,;29.31,-39.49,;30.34,-40.56,;31.64,-40.01,;30.35,-42.31,;29.02,-43.08,;27.68,-42.32,;27.68,-40.78,;26.35,-43.09,;25.02,-42.33,;23.69,-43.1,;23.69,-44.64,;22.35,-45.41,;21.02,-44.64,;19.61,-45.27,;18.58,-44.13,;19.35,-42.79,;20.86,-43.11,;25.02,-45.41,;26.36,-44.64,;27.69,-45.41,;27.86,-46.94,;29.37,-47.26,;30.13,-45.92,;29.1,-44.78,;31.15,-40.98,;29.98,-39.66,;32.56,-40.42,)| | ||
Structure |