BDBM50403796 CHEMBL2111560

SMILES: CCCCCCCC\C=C/CCCCCCCCNC(=O)CCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1

InChI Key: InChIKey=GOEWKHOSUBKSHZ-KTKRTIGZSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50403796   

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))	BDBM50403796 (CHEMBL2111560) Show SMILES CCCCCCCC\C=C/CCCCCCCCNC(=O)CCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C38H54FN5O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-42-36(45)19-18-25-44-29-34(26-33-27-40-31-41-28-33)37(46)43-38(44)47-30-32-20-22-35(39)23-21-32/h9-10,20-23,27-29,31H,2-8,11-19,24-26,30H2,1H3,(H,42,45)/b10-9-	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	0.400	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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