BDBM50125280 CHEMBL165840::N-(2-Diethylamino-ethyl)-2-[2-(4-fluoro-benzylsulfanyl)-5-hydroxymethyl-4-oxo-4H-pyrimidin-1-yl]-N-(4'-trifluoromethyl-biphenyl-4-ylmethyl)-acetamide

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

InChI Key: InChIKey=JRZAVNKHAFQMNW-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 = 50125280   

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))	BDBM50125280 (CHEMBL165840 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...) Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(CO)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C34H36F4N4O3S/c1-3-40(4-2)17-18-41(19-24-5-9-26(10-6-24)27-11-13-29(14-12-27)34(36,37)38)31(44)21-42-20-28(22-43)32(45)39-33(42)46-23-25-7-15-30(35)16-8-25/h5-16,20,43H,3-4,17-19,21-23H2,1-2H3	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	1.5	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