BDBM50481335 CHEMBL594183

SMILES: CCCC(C)(O)c1cc(Br)cc2nc(oc12)-c1ccc(NC(=O)COc2ccccc2C)cc1

InChI Key: InChIKey=KKAFQQCJRGCWFX-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50481335   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Choline/ethanolaminephosphotransferase 1 (Homo sapiens)	BDBM50481335 (CHEMBL594183) Show SMILES CCCC(C)(O)c1cc(Br)cc2nc(oc12)-c1ccc(NC(=O)COc2ccccc2C)cc1 Show InChI InChI=1S/C27H27BrN2O4/c1-4-13-27(3,32)21-14-19(28)15-22-25(21)34-26(30-22)18-9-11-20(12-10-18)29-24(31)16-33-23-8-6-5-7-17(23)2/h5-12,14-15,32H,4,13,16H2,1-3H3,(H,29,31)	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description inhibition of human CEPT assessed as cholesteryl ester transfer by fluorescence transfer assay				Bioorg Med Chem Lett 20: 346-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.099 BindingDB Entry DOI: 10.7270/Q2FJ2KKK
					More data for this Ligand-Target Pair