BDBM50093935 CHEMBL87741::N-Dodecyl-2-[2-(4-fluoro-benzylsulfanyl)-4-oxo-5-pyrimidin-5-ylmethyl-4H-pyrimidin-1-yl]-N-methyl-acetamide

SMILES: CCCCCCCCCCCCN(C)C(=O)Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1

InChI Key: InChIKey=VYONXYTXLLWQSH-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 = 50093935   

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))	BDBM50093935 (CHEMBL87741 | N-Dodecyl-2-[2-(4-fluoro-benzylsulfa...) Show SMILES CCCCCCCCCCCCN(C)C(=O)Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C31H42FN5O2S/c1-3-4-5-6-7-8-9-10-11-12-17-36(2)29(38)22-37-21-27(18-26-19-33-24-34-20-26)30(39)35-31(37)40-23-25-13-15-28(32)16-14-25/h13-16,19-21,24H,3-12,17-18,22-23H2,1-2H3	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	1	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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