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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'LDL-associated phospholipase A2' and Ligand = 'BDBM50093913'   
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))
BDBM50093913
PNG
(4-[2-(4-Fluoro-benzylsulfanyl)-4-oxo-5-pyrimidin-5...)
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+
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PubMed
n/an/a 0.400n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against human lipoprotein associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 11: 1925-9 (2001)


BindingDB Entry DOI: 10.7270/Q2736Q51
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50093913
PNG
(4-[2-(4-Fluoro-benzylsulfanyl)-4-oxo-5-pyrimidin-5...)
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

Patents

PubMed
n/an/a 0.700n/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