BDBM50215666 (3R,5R)-7-(3,4-bis(4-fluorophenyl)-1-isopropyl-5-(phenylcarbamoyl)-1H-pyrrol-2-yl)-3,5-dihydroxyheptanoic acid::(3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID::CHEMBL389002
SMILES: CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)c(c(c1C(=O)Nc1ccccc1)-c1ccc(F)cc1)-c1ccc(F)cc1
InChI Key: InChIKey=VZMMUQFHUUOVEM-KAYWLYCHSA-N
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 |
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3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA) (Homo sapiens (Human)) | BDBM50215666![]() ((3R,5R)-7-(3,4-bis(4-fluorophenyl)-1-isopropyl-5-(...) | PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar | CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc Curated by ChEMBL | Assay Description Inhibition of HMGCoA reductase | Bioorg Med Chem Lett 17: 4531-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.097 BindingDB Entry DOI: 10.7270/Q2X929Z4 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |