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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Platelet-activating factor acetylhydrolase' and Ligand = 'BDBM50107512'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50107512
PNG
(2-[2-(4-Fluoro-benzylsulfanyl)-5-(2-methoxy-pyrimi...)
Show SMILES COc1ncc(Cc2cn(CC(=O)N(C)Cc3ccc(cc3)-c3ccc(cc3)C(F)(F)F)c(SCc3ccc(F)cc3)nc2=O)cn1
Show InChI InChI=1S/C34H29F4N5O3S/c1-42(18-22-3-7-25(8-4-22)26-9-11-28(12-10-26)34(36,37)38)30(44)20-43-19-27(15-24-16-39-32(46-2)40-17-24)31(45)41-33(43)47-21-23-5-13-29(35)14-6-23/h3-14,16-17,19H,15,18,20-21H2,1-2H3
PDB
MMDB

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PC cid
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Patents


Similars

PubMed
n/an/a 0.200n/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