BDBM50093946 4-[2-(4-Fluoro-benzylsulfanyl)-4-oxo-5-pyrimidin-5-ylmethyl-4H-pyrimidin-1-yl]-N-heptyl-butyramide::CHEMBL82956

SMILES: CCCCCCCNC(=O)CCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1

InChI Key: InChIKey=IMOUHFRGKOFIDS-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 = 50093946   

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))	BDBM50093946 (4-[2-(4-Fluoro-benzylsulfanyl)-4-oxo-5-pyrimidin-5...) Show SMILES CCCCCCCNC(=O)CCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C27H34FN5O2S/c1-2-3-4-5-6-13-31-25(34)8-7-14-33-18-23(15-22-16-29-20-30-17-22)26(35)32-27(33)36-19-21-9-11-24(28)12-10-21/h9-12,16-18,20H,2-8,13-15,19H2,1H3,(H,31,34)	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	2	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