Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-hydroxy-3-methylglutaryl-coenzyme A reductase' and Ligand = 'BDBM50291237'   

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))	BDBM50291237 (CHEMBL153492 | Sodium; (E)-(3R,5S)-7-[4-(4-fluoro-...) Show SMILES CC(C)c1sc(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1ccccc1 Show InChI InChI=1S/C26H27FO4S/c1-16(2)25-22(13-12-20(28)14-21(29)15-23(30)31)24(17-8-10-19(27)11-9-17)26(32-25)18-6-4-3-5-7-18/h3-13,16,20-21,28-29H,14-15H2,1-2H3,(H,30,31)/p-1/b13-12+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation				Bioorg Med Chem Lett 7: 549-554 (1997) Article DOI: 10.1016/S0960-894X(97)00065-6 BindingDB Entry DOI: 10.7270/Q2RB74NQ
					More data for this Ligand-Target Pair