BDBM50117795 ((4'-Chloro-biphenyl-4-ylmethyl)-{2-[2-(4-fluoro-benzylsulfanyl)-5-(2-methoxy-pyrimidin-5-ylmethyl)-4-oxo-4H-pyrimidin-1-yl]-acetyl}-amino)-acetic acid::CHEMBL315528

SMILES: COc1ncc(Cc2cn(CC(=O)N(CC(O)=O)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1

InChI Key: InChIKey=RPHNQOWPQBPVGD-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 = 50117795   

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))	BDBM50117795 (((4'-Chloro-biphenyl-4-ylmethyl)-{2-[2-(4-fluoro-b...) Show SMILES COc1ncc(Cc2cn(CC(=O)N(CC(O)=O)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 Show InChI InChI=1S/C34H29ClFN5O5S/c1-46-33-37-15-24(16-38-33)14-27-18-41(34(39-32(27)45)47-21-23-4-12-29(36)13-5-23)19-30(42)40(20-31(43)44)17-22-2-6-25(7-3-22)26-8-10-28(35)11-9-26/h2-13,15-16,18H,14,17,19-21H2,1H3,(H,43,44)	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	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