Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acyl-CoA:cholesterol acyltransferase' and Ligand = 'BDBM50005960'   

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)	BDBM50005960 (2,4-Dimethyl-5-octadec-9-enoylamino-benzoic acid m...) Show SMILES CCCCCCCC\C=C\CCCCCCCC(=O)Nc1cc(C(=O)OC)c(C)cc1C Show InChI InChI=1S/C28H45NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)29-26-22-25(28(31)32-4)23(2)21-24(26)3/h12-13,21-22H,5-11,14-20H2,1-4H3,(H,29,30)/b13-12+	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase, in intestinal microsomes isolated from cholesterol-fed rabbits				J Med Chem 35: 1609-17 (1992) BindingDB Entry DOI: 10.7270/Q2G44QXN
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