BDBM50007261 CHEMBL102091::Sodium; 7-[4-(4-fluoro-phenyl)-2-isopropyl-1-phenyl-1H-pyrrol-3-yl]-3,5-dihydroxy-heptanoate
SMILES: CC(C)c1c(CCC(O)C[C@@H](O)CC([O-])=O)c(cn1-c1ccccc1)-c1ccc(F)cc1
InChI Key: InChIKey=UBFHWBHHCSSZAB-FOIFJWKZSA-M
Data: 3 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 (Homo sapiens (Human)) | BDBM50007261 (CHEMBL102091 | Sodium; 7-[4-(4-fluoro-phenyl)-2-is...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | <0.0100 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG Curated by ChEMBL | Assay Description In vitro inhibition of HMG-CoA reductase of rat liver | J Med Chem 33: 61-70 (1990) BindingDB Entry DOI: 10.7270/Q22V2F4S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat)) | BDBM50007261 (CHEMBL102091 | Sodium; 7-[4-(4-fluoro-phenyl)-2-is...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG Curated by ChEMBL | Assay Description In vitro inhibition of solubilized HMG-CoA reductase in rat liver. | J Med Chem 34: 2962-83 (1991) BindingDB Entry DOI: 10.7270/Q2C829WX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat)) | BDBM50007261 (CHEMBL102091 | Sodium; 7-[4-(4-fluoro-phenyl)-2-is...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst AG Curated by ChEMBL | Assay Description In vitro inhibition of HMG-CoA reductase of rat liver | J Med Chem 33: 61-70 (1990) BindingDB Entry DOI: 10.7270/Q22V2F4S | |||||||||||
More data for this Ligand-Target Pair |