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 = 'BDBM50406105'   

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))	BDBM50406105 (CHEMBL2111270) Show SMILES Cc1nc(C)c(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H19ClN2O3/c1-11-17(8-7-16-9-15(23)10-18(24)25-16)19(22-12(2)21-11)13-3-5-14(20)6-4-13/h3-8,15-16,23H,9-10H2,1-2H3/b8-7+/t15-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of rat liver HMG-CoA reductase				J Med Chem 33: 52-60 (1990) BindingDB Entry DOI: 10.7270/Q22N5177
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