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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'LDL-associated phospholipase A2' and Ligand = 'BDBM50093912'   
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
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50093912
PNG
(4-[2-(4-Fluoro-benzylsulfanyl)-4-oxo-5-pyrimidin-5...)
Show SMILES CCCCCCCN(C)C(=O)CCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C28H36FN5O2S/c1-3-4-5-6-7-14-33(2)26(35)9-8-15-34-19-24(16-23-17-30-21-31-18-23)27(36)32-28(34)37-20-22-10-12-25(29)13-11-22/h10-13,17-19,21H,3-9,14-16,20H2,1-2H3
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MMDB

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PubMed
n/an/a 3n/an/an/an/an/an/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
More data for this
Ligand-Target Pair