BDBM50093942 CHEMBL85932::Octanoic acid {2-[2-(4-fluoro-benzylsulfanyl)-4-oxo-5-pyrimidin-5-ylmethyl-4H-pyrimidin-1-yl]-ethyl}-amide

SMILES: CCCCCCCC(=O)NCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1

InChI Key: InChIKey=MKGQGYBFJLSAGN-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 = 50093942   

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))	BDBM50093942 (CHEMBL85932 | Octanoic acid {2-[2-(4-fluoro-benzyl...) Show SMILES CCCCCCCC(=O)NCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C26H32FN5O2S/c1-2-3-4-5-6-7-24(33)30-12-13-32-17-22(14-21-15-28-19-29-16-21)25(34)31-26(32)35-18-20-8-10-23(27)11-9-20/h8-11,15-17,19H,2-7,12-14,18H2,1H3,(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	140	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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