BDBM50093922 2-(4-Fluoro-benzylsulfanyl)-1-(9-phenyl-nonyl)-5-pyrimidin-5-ylmethyl-1H-pyrimidin-4-one::CHEMBL86033

SMILES: Fc1ccc(CSc2nc(=O)c(Cc3cncnc3)cn2CCCCCCCCCc2ccccc2)cc1

InChI Key: InChIKey=ZOIZIWFDKPLUDI-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 = 50093922   

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))	BDBM50093922 (2-(4-Fluoro-benzylsulfanyl)-1-(9-phenyl-nonyl)-5-p...) Show SMILES Fc1ccc(CSc2nc(=O)c(Cc3cncnc3)cn2CCCCCCCCCc2ccccc2)cc1 Show InChI InChI=1S/C31H35FN4OS/c32-29-16-14-26(15-17-29)23-38-31-35-30(37)28(19-27-20-33-24-34-21-27)22-36(31)18-10-5-3-1-2-4-7-11-25-12-8-6-9-13-25/h6,8-9,12-17,20-22,24H,1-5,7,10-11,18-19,23H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	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