Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '3-hydroxy-3-methylglutaryl-coenzyme A reductase' and Ligand = 'BDBM50007301'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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 (Rattus norvegicus (rat))	BDBM50007301 (CHEMBL102199 | Sodium; 6-{3-[bis-(4-fluoro-phenyl)...) Show SMILES Cc1c(OCC(O)C[C@@H](O)CC([O-])=O)c(cc2ccccc12)C(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C30H28F2O5/c1-18-26-5-3-2-4-21(26)14-27(30(18)37-17-25(34)15-24(33)16-28(35)36)29(19-6-10-22(31)11-7-19)20-8-12-23(32)13-9-20/h2-14,24-25,29,33-34H,15-17H2,1H3,(H,35,36)/p-1/t24-,25?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	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 in solubilized 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 (Homo sapiens (Human))	BDBM50007301 (CHEMBL102199 | Sodium; 6-{3-[bis-(4-fluoro-phenyl)...) Show SMILES Cc1c(OCC(O)C[C@@H](O)CC([O-])=O)c(cc2ccccc12)C(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C30H28F2O5/c1-18-26-5-3-2-4-21(26)14-27(30(18)37-17-25(34)15-24(33)16-28(35)36)29(19-6-10-22(31)11-7-19)20-8-12-23(32)13-9-20/h2-14,24-25,29,33-34H,15-17H2,1H3,(H,35,36)/p-1/t24-,25?/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells.				J Med Chem 34: 2962-83 (1991) BindingDB Entry DOI: 10.7270/Q2C829WX
					More data for this Ligand-Target Pair