BDBM50093954 2-[8-(4-Chloro-phenyl)-8-oxo-octylsulfanyl]-1-phenethyl-5-pyrimidin-5-ylmethyl-1H-pyrimidin-4-one::CHEMBL86244

SMILES: Clc1ccc(cc1)C(=O)CCCCCCCSc1nc(=O)c(Cc2cncnc2)cn1CCc1ccccc1

InChI Key: InChIKey=XQUXLACUGFSDML-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 = 50093954   

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))	BDBM50093954 (2-[8-(4-Chloro-phenyl)-8-oxo-octylsulfanyl]-1-phen...) Show SMILES Clc1ccc(cc1)C(=O)CCCCCCCSc1nc(=O)c(Cc2cncnc2)cn1CCc1ccccc1 Show InChI InChI=1S/C31H33ClN4O2S/c32-28-14-12-26(13-15-28)29(37)11-7-2-1-3-8-18-39-31-35-30(38)27(19-25-20-33-23-34-21-25)22-36(31)17-16-24-9-5-4-6-10-24/h4-6,9-10,12-15,20-23H,1-3,7-8,11,16-19H2	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	34	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
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