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SMILES: Cn1cc(Cc2cn(CC(=O)N(CCO)Cc3ccc(cc3)-c3ccc(cc3)C(F)(F)F)c(SCc3ccc(F)cc3)nc2=O)cn1

InChI Key: InChIKey=KILUTJZGJNLFKB-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50117774   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))		BDBM50117774
PNG
(2-[2-(4-Fluoro-benzylsulfanyl)-5-(1-methyl-1H-pyra...)
Show SMILES Cn1cc(Cc2cn(CC(=O)N(CCO)Cc3ccc(cc3)-c3ccc(cc3)C(F)(F)F)c(SCc3ccc(F)cc3)nc2=O)cn1
Show InChI InChI=1S/C34H31F4N5O3S/c1-41-18-25(17-39-41)16-28-20-43(33(40-32(28)46)47-22-24-4-12-30(35)13-5-24)21-31(45)42(14-15-44)19-23-2-6-26(7-3-23)27-8-10-29(11-9-27)34(36,37)38/h2-13,17-18,20,44H,14-16,19,21-22H2,1H3
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PubMed
n/an/a 0.600n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated

Bioorg Med Chem Lett 12: 2603-6 (2002)


BindingDB Entry DOI: 10.7270/Q2G44PNN
More data for this
Ligand-Target Pair