Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Hydroxymethylglutaryl-CoA synthase, cytoplasmic' AND taxid = 10116   

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
Hydroxymethylglutaryl-CoA synthase, cytoplasmic (Rattus norvegicus)	BDBM50452635 (CHEMBL2367463) Show SMILES [#6]-n1nnnc1\[#6](\[#6]=[#6]\[#6@H]-1-[#6]-[#6@H](-[#8])-[#6]-[#6](=O)-[#8]1)=[#6](/c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H20F2N4O3/c1-29-23(26-27-28-29)20(11-10-19-12-18(30)13-21(31)32-19)22(14-2-6-16(24)7-3-14)15-4-8-17(25)9-5-15/h2-11,18-19,30H,12-13H2,1H3/b11-10+/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Co. Curated by ChEMBL					Assay Description In vitro inhibition of rat liver microsomal HMG-CoA reductase activity				J Med Chem 32: 2038-41 (1989) BindingDB Entry DOI: 10.7270/Q28S4NXH
					More data for this Ligand-Target Pair
Hydroxymethylglutaryl-CoA synthase, cytoplasmic (Rattus norvegicus)	BDBM50014354 (6-[4,4-Bis-(4-fluoro-phenyl)-3-(1-methyl-1H-tetraz...) Show SMILES [#6]-n1nnnc1\[#6](\[#6]=[#6]\[#6@@H]-1-[#6]-[#6@@H](-[#8])-[#6]-[#6](=O)-[#8]1)=[#6](/c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H20F2N4O3/c1-29-23(26-27-28-29)20(11-10-19-12-18(30)13-21(31)32-19)22(14-2-6-16(24)7-3-14)15-4-8-17(25)9-5-15/h2-11,18-19,30H,12-13H2,1H3/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	43	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers Co. Curated by ChEMBL					Assay Description In vitro inhibition of rat liver microsomal HMG-CoA reductase activity				J Med Chem 32: 2038-41 (1989) BindingDB Entry DOI: 10.7270/Q28S4NXH
					More data for this Ligand-Target Pair