BDBM50042631 (E)-(3R,5S)-7-[5-(4-Fluoro-phenyl)-2-isopropyl-4-pyridin-3-yl-imidazol-1-yl]-3,5-dihydroxy-hept-6-enoic acid anion::CHEMBL121727::Sodium; 7-[5-(4-fluoro-phenyl)-2-isopropyl-4-pyridin-3-yl-imidazol-1-yl]-3,5-dihydroxy-hept-6-enoate
SMILES: CC(C)c1nc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1cccnc1
InChI Key: InChIKey=ALLUALRNIBGJAM-MBUYQLGJSA-M
Data: 2 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA) (Homo sapiens (Human)) | BDBM50042631 ((E)-(3R,5S)-7-[5-(4-Fluoro-phenyl)-2-isopropyl-4-p...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL | Assay Description Inhibitory concentration against 3-hydroxy-3-methylglutaryl-CoA reductase | Bioorg Med Chem Lett 15: 1027-32 (2005) Article DOI: 10.1016/j.bmcl.2004.12.042 BindingDB Entry DOI: 10.7270/Q2TB17N9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HMG-CoA reductase (Rattus norvegicus (rat)) | BDBM50042631 ((E)-(3R,5S)-7-[5-(4-Fluoro-phenyl)-2-isopropyl-4-p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Group Research Ltd. Curated by ChEMBL | Assay Description Inhibitory activity against washed rat liver microsomal HMG-CoA reductase (HMGR) | J Med Chem 36: 3646-57 (1994) BindingDB Entry DOI: 10.7270/Q2X929CH | |||||||||||
More data for this Ligand-Target Pair |