BDBM50093949 2-[8-(4-Chloro-phenyl)-8-oxo-octylsulfanyl]-1-(2-methoxy-ethyl)-5-pyrimidin-5-ylmethyl-1H-pyrimidin-4-one::CHEMBL85600

SMILES: COCCn1cc(Cc2cncnc2)c(=O)nc1SCCCCCCCC(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=IUNLAAMRSOOQTM-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 = 50093949   

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))	BDBM50093949 (2-[8-(4-Chloro-phenyl)-8-oxo-octylsulfanyl]-1-(2-m...) Show SMILES COCCn1cc(Cc2cncnc2)c(=O)nc1SCCCCCCCC(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H31ClN4O3S/c1-34-13-12-31-18-22(15-20-16-28-19-29-17-20)25(33)30-26(31)35-14-6-4-2-3-5-7-24(32)21-8-10-23(27)11-9-21/h8-11,16-19H,2-7,12-15H2,1H3	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	110	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