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 = 'BDBM50296080'   

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))	BDBM50296080 (CHEMBL551868 | sodium(3R,5S,E)-3,5-dihydroxy-7-(2-...) Show SMILES CCC(CC)(c1ccccc1)c1ccc(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(c1)C(C)C |r| Show InChI InChI=1S/C27H36O4/c1-5-27(6-2,21-10-8-7-9-11-21)22-14-12-20(25(16-22)19(3)4)13-15-23(28)17-24(29)18-26(30)31/h7-16,19,23-24,28-29H,5-6,17-18H2,1-4H3,(H,30,31)/p-1/b15-13+/t23-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of rat HMG-CoA reductase using 0.37 MBq DL-[3-14C]HMG-CoA				Bioorg Med Chem Lett 19: 4228-31 (2009) Article DOI: 10.1016/j.bmcl.2009.05.100 BindingDB Entry DOI: 10.7270/Q22F7PCK
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