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 = 'BDBM50014822'   

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))	BDBM50014822 ((E)-4-Hydroxy-6-{2-[2-isopropyl-4-(4-methoxy-pheny...) Show SMILES COc1ccc(cc1)-c1cc(nc(C(C)C)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1 Show InChI InChI=1S/C28H29NO4/c1-18(2)28-24(14-13-23-15-21(30)16-27(31)33-23)25(19-9-11-22(32-3)12-10-19)17-26(29-28)20-7-5-4-6-8-20/h4-14,17-18,21,23,30H,15-16H2,1-3H3/b14-13+/t21-,23-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into choles...				J Med Chem 33: 52-60 (1990) BindingDB Entry DOI: 10.7270/Q22N5177
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50014822 ((E)-4-Hydroxy-6-{2-[2-isopropyl-4-(4-methoxy-pheny...) Show SMILES COc1ccc(cc1)-c1cc(nc(C(C)C)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1 Show InChI InChI=1S/C28H29NO4/c1-18(2)28-24(14-13-23-15-21(30)16-27(31)33-23)25(19-9-11-22(32-3)12-10-19)17-26(29-28)20-7-5-4-6-8-20/h4-14,17-18,21,23,30H,15-16H2,1-3H3/b14-13+/t21-,23-/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	150	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
					More data for this Ligand-Target Pair