BDBM50117785 2-[2-(4-Fluoro-benzylsulfanyl)-5-(1-methyl-1H-pyrazol-4-ylmethyl)-4-oxo-4H-pyrimidin-1-yl]-N-(2-morpholin-4-yl-2-oxo-ethyl)-N-(4'-trifluoromethyl-biphenyl-4-ylmethyl)-acetamide::CHEMBL89451

SMILES: Cn1cc(Cc2cn(CC(=O)N(CC(=O)N3CCOCC3)Cc3ccc(cc3)-c3ccc(cc3)C(F)(F)F)c(SCc3ccc(F)cc3)nc2=O)cn1

InChI Key: InChIKey=ZBRUFDOGXNFOSD-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 = 50117785   

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))	BDBM50117785 (2-[2-(4-Fluoro-benzylsulfanyl)-5-(1-methyl-1H-pyra...) Show SMILES Cn1cc(Cc2cn(CC(=O)N(CC(=O)N3CCOCC3)Cc3ccc(cc3)-c3ccc(cc3)C(F)(F)F)c(SCc3ccc(F)cc3)nc2=O)cn1 Show InChI InChI=1S/C38H36F4N6O4S/c1-45-20-28(19-43-45)18-31-22-48(37(44-36(31)51)53-25-27-4-12-33(39)13-5-27)24-35(50)47(23-34(49)46-14-16-52-17-15-46)21-26-2-6-29(7-3-26)30-8-10-32(11-9-30)38(40,41)42/h2-13,19-20,22H,14-18,21,23-25H2,1H3	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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair