BDBM50093956 2-Benzylsulfanyl-1-phenethyl-5-pyrimidin-5-ylmethyl-1H-pyrimidin-4-one::CHEMBL86461

SMILES: O=c1nc(SCc2ccccc2)n(CCc2ccccc2)cc1Cc1cncnc1

InChI Key: InChIKey=OCCFEMPCRBDQAJ-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 = 50093956   

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))	BDBM50093956 (2-Benzylsulfanyl-1-phenethyl-5-pyrimidin-5-ylmethy...) Show SMILES O=c1nc(SCc2ccccc2)n(CCc2ccccc2)cc1Cc1cncnc1 Show InChI InChI=1S/C24H22N4OS/c29-23-22(13-21-14-25-18-26-15-21)16-28(12-11-19-7-3-1-4-8-19)24(27-23)30-17-20-9-5-2-6-10-20/h1-10,14-16,18H,11-13,17H2	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	210	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of lipoprotein associated phospholipase A2 in human plasma				Bioorg Med Chem Lett 10: 2557-61 (2001) BindingDB Entry DOI: 10.7270/Q2B857C6
					More data for this Ligand-Target Pair