Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '3-hydroxy-3-methylglutaryl-coenzyme A reductase' and Ligand = 'BDBM50006410'   

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))	BDBM50006410 (CHEMBL2367477 | Sodium; 7-[5-(4-fluoro-phenyl)-3-i...) Show SMILES [Na+].CC(C)c1nn(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1ccccn1 Show InChI InChI=1S/C24H26FN3O4.Na/c1-15(2)23-20(11-10-18(29)13-19(30)14-22(31)32)24(16-6-8-17(25)9-7-16)28(27-23)21-5-3-4-12-26-21;/h3-12,15,18-19,29-30H,13-14H2,1-2H3,(H,31,32);/q;+1/p-1/b11-10+;/t18-,19-;/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	10	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Ability to inhibit microsomal preparation of HMG-CoA reductase in rat liver.				J Med Chem 34: 463-6 (1991) BindingDB Entry DOI: 10.7270/Q2MS3TC4
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50006410 (CHEMBL2367477 | Sodium; 7-[5-(4-fluoro-phenyl)-3-i...) Show SMILES [Na+].CC(C)c1nn(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1ccccn1 Show InChI InChI=1S/C24H26FN3O4.Na/c1-15(2)23-20(11-10-18(29)13-19(30)14-22(31)32)24(16-6-8-17(25)9-7-16)28(27-23)21-5-3-4-12-26-21;/h3-12,15,18-19,29-30H,13-14H2,1-2H3,(H,31,32);/q;+1/p-1/b11-10+;/t18-,19-;/m1./s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Tested in vitro for the inhibition of HMG-CoA reductase from partially purified microsomal preparations.				J Med Chem 35: 2095-103 (1992) BindingDB Entry DOI: 10.7270/Q2HH6KN8
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Homo sapiens (Human))	BDBM50006410 (CHEMBL2367477 | Sodium; 7-[5-(4-fluoro-phenyl)-3-i...) Show SMILES [Na+].CC(C)c1nn(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1ccccn1 Show InChI InChI=1S/C24H26FN3O4.Na/c1-15(2)23-20(11-10-18(29)13-19(30)14-22(31)32)24(16-6-8-17(25)9-7-16)28(27-23)21-5-3-4-12-26-21;/h3-12,15,18-19,29-30H,13-14H2,1-2H3,(H,31,32);/q;+1/p-1/b11-10+;/t18-,19-;/m1./s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Tested in vitro for the inhibition of HMG-CoA reductase from partially purified microsomal preparations.				J Med Chem 35: 2095-103 (1992) BindingDB Entry DOI: 10.7270/Q2HH6KN8
					More data for this Ligand-Target Pair