Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acyl-CoA:cholesterol acyltransferase' and Ligand = 'BDBM50065002'   

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)	BDBM50065002 (1-(4-Dimethylamino-benzyl)-3-(6-methyl-2,4-bis-met...) Show SMILES CSc1cc(C)nc(SC)c1NC(=O)N(Cc1ccc(cc1)N(C)C)Cc1cccc(c1)-c1cc[nH]n1 Show InChI InChI=1S/C28H32N6OS2/c1-19-15-25(36-4)26(27(30-19)37-5)31-28(35)34(17-20-9-11-23(12-10-20)33(2)3)18-21-7-6-8-22(16-21)24-13-14-29-32-24/h6-16H,17-18H2,1-5H3,(H,29,32)(H,31,35)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	72	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)	BDBM50065002 (1-(4-Dimethylamino-benzyl)-3-(6-methyl-2,4-bis-met...) Show SMILES CSc1cc(C)nc(SC)c1NC(=O)N(Cc1ccc(cc1)N(C)C)Cc1cccc(c1)-c1cc[nH]n1 Show InChI InChI=1S/C28H32N6OS2/c1-19-15-25(36-4)26(27(30-19)37-5)31-28(35)34(17-20-9-11-23(12-10-20)33(2)3)18-21-7-6-8-22(16-21)24-13-14-29-32-24/h6-16H,17-18H2,1-5H3,(H,29,32)(H,31,35)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	72	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