BDBM50093953 2-(4-Fluoro-benzylsulfanyl)-1-[2-(4-hexyl-phenyl)-ethyl]-5-pyrimidin-5-ylmethyl-1H-pyrimidin-4-one::CHEMBL86017

SMILES: CCCCCCc1ccc(CCn2cc(Cc3cncnc3)c(=O)nc2SCc2ccc(F)cc2)cc1

InChI Key: InChIKey=XMGPCCVLVHABOX-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 = 50093953   

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))	BDBM50093953 (2-(4-Fluoro-benzylsulfanyl)-1-[2-(4-hexyl-phenyl)-...) Show SMILES CCCCCCc1ccc(CCn2cc(Cc3cncnc3)c(=O)nc2SCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C30H33FN4OS/c1-2-3-4-5-6-23-7-9-24(10-8-23)15-16-35-20-27(17-26-18-32-22-33-19-26)29(36)34-30(35)37-21-25-11-13-28(31)14-12-25/h7-14,18-20,22H,2-6,15-17,21H2,1H3	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	12	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