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SMILES: COc1ncc(Cc2cn(CCCC(=O)N(C)Cc3ccc(cc3)-c3ccc(F)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1

InChI Key: InChIKey=OBLSLHHZZMQGAE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50107492   
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))		BDBM50107492
PNG
(4-[2-(4-Fluoro-benzylsulfanyl)-5-(2-methoxy-pyrimi...)
Show SMILES COc1ncc(Cc2cn(CCCC(=O)N(C)Cc3ccc(cc3)-c3ccc(F)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1
Show InChI InChI=1S/C35H33F2N5O3S/c1-41(21-24-5-9-27(10-6-24)28-11-15-31(37)16-12-28)32(43)4-3-17-42-22-29(18-26-19-38-34(45-2)39-20-26)33(44)40-35(42)46-23-25-7-13-30(36)14-8-25/h5-16,19-20,22H,3-4,17-18,21,23H2,1-2H3
PDB
MMDB

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PubMed
n/an/a 15n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).

Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair