Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Acyl-CoA:cholesterol acyltransferase' and Ligand = 'BDBM50065041'   

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
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50065041 (1-Benzyl-1-[3-(2H-pyrazol-3-yl)-benzyl]-3-(2,4,6-t...) Show SMILES Fc1cc(F)c(NC(=O)N(Cc2ccccc2)Cc2cccc(c2)-c2cc[nH]n2)c(F)c1 Show InChI InChI=1S/C24H19F3N4O/c25-19-12-20(26)23(21(27)13-19)29-24(32)31(14-16-5-2-1-3-6-16)15-17-7-4-8-18(11-17)22-9-10-28-30-22/h1-13H,14-15H2,(H,28,30)(H,29,32)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity towards ACAT by the displacement of [1-14C]-oleolyl-CoA from the small intestine of cholesterol-fed rabbits				Bioorg Med Chem Lett 8: 81-6 (1999) BindingDB Entry DOI: 10.7270/Q2FN15B4
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50065041 (1-Benzyl-1-[3-(2H-pyrazol-3-yl)-benzyl]-3-(2,4,6-t...) Show SMILES Fc1cc(F)c(NC(=O)N(Cc2ccccc2)Cc2cccc(c2)-c2cc[nH]n2)c(F)c1 Show InChI InChI=1S/C24H19F3N4O/c25-19-12-20(26)23(21(27)13-19)29-24(32)31(14-16-5-2-1-3-6-16)15-17-7-4-8-18(11-17)22-9-10-28-30-22/h1-13H,14-15H2,(H,28,30)(H,29,32)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase (ACAT) in rabbit intestinal microsomes				J Med Chem 41: 2390-410 (1998) Article DOI: 10.1021/jm9800853 BindingDB Entry DOI: 10.7270/Q2MW2G7V
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50065041 (1-Benzyl-1-[3-(2H-pyrazol-3-yl)-benzyl]-3-(2,4,6-t...) Show SMILES Fc1cc(F)c(NC(=O)N(Cc2ccccc2)Cc2cccc(c2)-c2cc[nH]n2)c(F)c1 Show InChI InChI=1S/C24H19F3N4O/c25-19-12-20(26)23(21(27)13-19)29-24(32)31(14-16-5-2-1-3-6-16)15-17-7-4-8-18(11-17)22-9-10-28-30-22/h1-13H,14-15H2,(H,28,30)(H,29,32)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) from rabbit intestinal microsomes				J Med Chem 41: 4408-20 (1998) Article DOI: 10.1021/jm980399q BindingDB Entry DOI: 10.7270/Q2QC02MT
					More data for this Ligand-Target Pair