BDBM50093945 2-[8-(4-Chloro-phenyl)-8-oxo-octylsulfanyl]-1-methyl-5-pyrimidin-5-ylmethyl-1H-pyrimidin-4-one::CHEMBL419668

SMILES: Cn1cc(Cc2cncnc2)c(=O)nc1SCCCCCCCC(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=QIRNEFNMUGHTCA-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 = 50093945   

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))	BDBM50093945 (2-[8-(4-Chloro-phenyl)-8-oxo-octylsulfanyl]-1-meth...) Show SMILES Cn1cc(Cc2cncnc2)c(=O)nc1SCCCCCCCC(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H27ClN4O2S/c1-29-16-20(13-18-14-26-17-27-15-18)23(31)28-24(29)32-12-6-4-2-3-5-7-22(30)19-8-10-21(25)11-9-19/h8-11,14-17H,2-7,12-13H2,1H3	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	19	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