Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = '3-hydroxy-3-methylglutaryl-coenzyme A reductase' and Ligand = 'BDBM50007257'   

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))	BDBM50007257 (CHEMBL323344 | Sodium; 6-{2-[cyclohexyl-(1,1-dimet...) Show SMILES CCC(C)(C)OC(=O)C(C1CCCCC1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C27H42O7/c1-6-27(4,5)34-26(32)24(19-10-8-7-9-11-19)22-13-17(2)12-18(3)25(22)33-16-21(29)14-20(28)15-23(30)31/h12-13,19-21,24,28-29H,6-11,14-16H2,1-5H3,(H,30,31)/p-1/t20-,21?,24?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of HMG-CoA reductase in solubilized rat liver.				J Med Chem 34: 2962-83 (1991) BindingDB Entry DOI: 10.7270/Q2C829WX
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50007257 (CHEMBL323344 | Sodium; 6-{2-[cyclohexyl-(1,1-dimet...) Show SMILES CCC(C)(C)OC(=O)C(C1CCCCC1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C27H42O7/c1-6-27(4,5)34-26(32)24(19-10-8-7-9-11-19)22-13-17(2)12-18(3)25(22)33-16-21(29)14-20(28)15-23(30)31/h12-13,19-21,24,28-29H,6-11,14-16H2,1-5H3,(H,30,31)/p-1/t20-,21?,24?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells.				J Med Chem 34: 2962-83 (1991) BindingDB Entry DOI: 10.7270/Q2C829WX
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50007257 (CHEMBL323344 | Sodium; 6-{2-[cyclohexyl-(1,1-dimet...) Show SMILES CCC(C)(C)OC(=O)C(C1CCCCC1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C27H42O7/c1-6-27(4,5)34-26(32)24(19-10-8-7-9-11-19)22-13-17(2)12-18(3)25(22)33-16-21(29)14-20(28)15-23(30)31/h12-13,19-21,24,28-29H,6-11,14-16H2,1-5H3,(H,30,31)/p-1/t20-,21?,24?/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description In vitro inhibition of HMG-CoA reductase in solubilized rat liver.				J Med Chem 34: 2962-83 (1991) BindingDB Entry DOI: 10.7270/Q2C829WX
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50007257 (CHEMBL323344 | Sodium; 6-{2-[cyclohexyl-(1,1-dimet...) Show SMILES CCC(C)(C)OC(=O)C(C1CCCCC1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O Show InChI InChI=1S/C27H42O7/c1-6-27(4,5)34-26(32)24(19-10-8-7-9-11-19)22-13-17(2)12-18(3)25(22)33-16-21(29)14-20(28)15-23(30)31/h12-13,19-21,24,28-29H,6-11,14-16H2,1-5H3,(H,30,31)/p-1/t20-,21?,24?/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst AG Curated by ChEMBL					Assay Description Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells.				J Med Chem 34: 2962-83 (1991) BindingDB Entry DOI: 10.7270/Q2C829WX
					More data for this Ligand-Target Pair