Reaction Details | |||
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Target | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | ||
Ligand | BDBM50421879 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEBML_80668 | ||
IC50 | 5700±n/a nM | ||
Citation | Sit, SY; Parker, RA; Motoc, I; Han, W; Balasubramanian, N; Catt, JD; Brown, PJ; Harte, WE; Thompson, MD; Wright, JJ Synthesis, biological profile, and quantitative structure-activity relationship of a series of novel 3-hydroxy-3-methylglutaryl coenzyme A reductase inhibitors. J Med Chem33:2982-99 (1990) [PubMed] | ||
More Info.: | Get all data from this article, Assay Method | ||
3-hydroxy-3-methylglutaryl-coenzyme A reductase | |||
Name: | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | ||
Synonyms: | HMDH_RAT | HMG-CoA reductase | Hmgcr | ||
Type: | Enzyme | ||
Mol. Mass.: | 96689.85 | ||
Organism: | Rattus norvegicus (rat) | ||
Description: | Isolated rat liver microsomes were used as enzyme source. | ||
Residue: | 887 | ||
Sequence: |
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BDBM50421879 | |||
n/a | |||
Name | BDBM50421879 | ||
Synonyms: | CHEMBL2304072 | ||
Type | Small organic molecule | ||
Emp. Form. | C24H21F2N4O4 | ||
Mol. Mass. | 467.4453 | ||
SMILES | Cn1nnnc1C(C=C=C[C@@H](O)C[C@@H](O)CC([O-])=O)=C(c1ccc(F)cc1)c1ccc(F)cc1 |wU:10.11,13.14,(11.55,-2.67,;10.1,-3.15,;9.62,-4.6,;8.1,-4.62,;7.62,-3.15,;8.86,-2.23,;8.83,-.71,;10.16,.07,;11.51,-.69,;12.83,.07,;14.16,-.69,;15.49,.08,;14.17,-2.23,;15.5,-3,;16.83,-2.22,;15.51,-4.54,;16.84,-5.3,;18.17,-4.53,;16.84,-6.84,;7.51,.05,;7.51,1.59,;6.16,2.35,;6.16,3.88,;7.49,4.66,;7.49,6.2,;8.83,3.9,;8.83,2.35,;6.18,-.71,;6.18,-2.26,;4.86,-3.04,;3.53,-2.26,;2.18,-3.02,;3.53,-.73,;4.86,.05,)| | ||
Structure |