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 = 'BDBM50160788'   

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 (Homo sapiens (Human))	BDBM50160788 ((E)-(3R,5S)-7-[3-(4-Fluoro-phenyl)-5-isopropyl-2-p...) Show SMILES CC(C)c1cc(c(-c2ccccc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1 Show InChI InChI=1S/C26H28FNO4/c1-17(2)24-16-23(18-8-10-20(27)11-9-18)26(19-6-4-3-5-7-19)28(24)13-12-21(29)14-22(30)15-25(31)32/h3-13,16-17,21-22,29-30H,14-15H2,1-2H3,(H,31,32)/p-1/b13-12+/t21-,22-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	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