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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Platelet-activating factor acetylhydrolase' and Ligand = 'BDBM50085649'   
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))
BDBM50085649
PNG
(2-Benzylsulfanyl-5-pyrimidin-5-ylmethyl-1H-pyrimid...)
Show SMILES O=c1[nH]c(SCc2ccccc2)ncc1Cc1cncnc1
Show InChI InChI=1S/C16H14N4OS/c21-15-14(6-13-7-17-11-18-8-13)9-19-16(20-15)22-10-12-4-2-1-3-5-12/h1-5,7-9,11H,6,10H2,(H,19,20,21)
PDB
MMDB

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PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50085649
PNG
(2-Benzylsulfanyl-5-pyrimidin-5-ylmethyl-1H-pyrimid...)
Show SMILES O=c1[nH]c(SCc2ccccc2)ncc1Cc1cncnc1
Show InChI InChI=1S/C16H14N4OS/c21-15-14(6-13-7-17-11-18-8-13)9-19-16(20-15)22-10-12-4-2-1-3-5-12/h1-5,7-9,11H,6,10H2,(H,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.11E+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