Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acyl-CoA:cholesterol acyltransferase' and Ligand = 'BDBM50228476'   

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)	BDBM50228476 (CHEMBL92580) Show SMILES COc1c2CCOc2c(OC)c2oc(CN3CCC(CCC4CCN(Cc5cc(=O)c6c(OC)c7CCOc7c(OC)c6o5)CC4)CC3)cc(=O)c12 Show InChI InChI=1S/C40H48N2O10/c1-45-33-27-11-17-49-35(27)39(47-3)37-31(33)29(43)19-25(51-37)21-41-13-7-23(8-14-41)5-6-24-9-15-42(16-10-24)22-26-20-30(44)32-34(46-2)28-12-18-50-36(28)40(48-4)38(32)52-26/h19-20,23-24H,5-18,21-22H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase				J Med Chem 33: 2685-7 (1990) BindingDB Entry DOI: 10.7270/Q20867JQ
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