BDBM50125273 2-[5-(2-Acetylamino-ethyl)-2-(4-fluoro-benzylsulfanyl)-4-oxo-4H-pyrimidin-1-yl]-N-(2-diethylamino-ethyl)-N-(4'-trifluoromethyl-biphenyl-4-ylmethyl)-acetamide::CHEMBL10659

SMILES: CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(CCNC(C)=O)c(=O)nc1SCc1ccc(F)cc1

InChI Key: InChIKey=LALSXLMJCFUYIJ-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 = 50125273   

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
LDL-associated phospholipase A2 (Homo sapiens (Human))	BDBM50125273 (2-[5-(2-Acetylamino-ethyl)-2-(4-fluoro-benzylsulfa...) Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(CCNC(C)=O)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C37H41F4N5O3S/c1-4-44(5-2)20-21-45(22-27-6-10-29(11-7-27)30-12-14-32(15-13-30)37(39,40)41)34(48)24-46-23-31(18-19-42-26(3)47)35(49)43-36(46)50-25-28-8-16-33(38)17-9-28/h6-17,23H,4-5,18-22,24-25H2,1-3H3,(H,42,47)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Lp-PLA2				Bioorg Med Chem Lett 13: 1067-70 (2003) BindingDB Entry DOI: 10.7270/Q2S75FPD
					More data for this Ligand-Target Pair