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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50197653   
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))
BDBM50197653
PNG
(CHEMBL3985490)
Show SMILES CN1CCC(C)(CC1)[C@H]1CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1 |r|
Show InChI InChI=1S/C20H26FN3O2/c1-20(5-7-23(2)8-6-20)16-12-19(25)24(14-16)9-10-26-17-3-4-18(21)15(11-17)13-22/h3-4,11,16H,5-10,12,14H2,1-2H3/t16-/m1/s1
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 72n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Lp-PLA2 pre-incubated for 30 mins before PED6 fluorogenic substrate


J Med Chem 59: 10738-10749 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01427
BindingDB Entry DOI: 10.7270/Q27946ND
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50197653
PNG
(CHEMBL3985490)
Show SMILES CN1CCC(C)(CC1)[C@H]1CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1 |r|
Show InChI InChI=1S/C20H26FN3O2/c1-20(5-7-23(2)8-6-20)16-12-19(25)24(14-16)9-10-26-17-3-4-18(21)15(11-17)13-22/h3-4,11,16H,5-10,12,14H2,1-2H3/t16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Lp-PLA2 in whole human plasma pre-incubated for 15 mins before 2-thio-PAF substrate addition


J Med Chem 59: 10738-10749 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01427
BindingDB Entry DOI: 10.7270/Q27946ND
More data for this
Ligand-Target Pair