Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acyl-CoA:cholesterol acyltransferase' and Ligand = 'BDBM50047525'   

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)	BDBM50047525 (1-{2-Dimethylamino-6-[3-(4-phenyl-piperazin-1-yl)-...) Show SMILES CCCCCNC(=O)Nc1c(OCCCN2CCN(CC2)c2ccccc2)cccc1N(C)C Show InChI InChI=1S/C27H41N5O2/c1-4-5-9-16-28-27(33)29-26-24(30(2)3)14-10-15-25(26)34-22-11-17-31-18-20-32(21-19-31)23-12-7-6-8-13-23/h6-8,10,12-15H,4-5,9,11,16-22H2,1-3H3,(H2,28,29,33)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition against acyl coenzyme A:cholesterol acyltransferase from rabbit aorta homogenate.				J Med Chem 36: 1630-40 (1993) BindingDB Entry DOI: 10.7270/Q22B8X4P
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50047525 (1-{2-Dimethylamino-6-[3-(4-phenyl-piperazin-1-yl)-...) Show SMILES CCCCCNC(=O)Nc1c(OCCCN2CCN(CC2)c2ccccc2)cccc1N(C)C Show InChI InChI=1S/C27H41N5O2/c1-4-5-9-16-28-27(33)29-26-24(30(2)3)14-10-15-25(26)34-22-11-17-31-18-20-32(21-19-31)23-12-7-6-8-13-23/h6-8,10,12-15H,4-5,9,11,16-22H2,1-3H3,(H2,28,29,33)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition against acyl coenzyme A:cholesterol acyltransferase from rabbit aorta homogenate.				J Med Chem 36: 1630-40 (1993) BindingDB Entry DOI: 10.7270/Q22B8X4P
					More data for this Ligand-Target Pair