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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Platelet-activating factor acetylhydrolase' and Ligand = 'BDBM50429101'   
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))
BDBM50429101
PNG
(CHEMBL2335780)
Show SMILES CS(=O)(=O)Nc1cccc2c(O)cc(nc12)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C17H13F2N3O4S/c1-27(25,26)22-13-4-2-3-10-15(23)8-14(20-16(10)13)17(24)21-12-6-5-9(18)7-11(12)19/h2-8,22H,1H3,(H,20,23)(H,21,24)
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n/an/a 4n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal hexahistidine-tagged Lp-PLA2 expressed in Escherichia coli using 2- thio-PAF as substrate incubated for 20...


Bioorg Med Chem Lett 23: 1553-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.048
BindingDB Entry DOI: 10.7270/Q2571DCV
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50429101
PNG
(CHEMBL2335780)
Show SMILES CS(=O)(=O)Nc1cccc2c(O)cc(nc12)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C17H13F2N3O4S/c1-27(25,26)22-13-4-2-3-10-15(23)8-14(20-16(10)13)17(24)21-12-6-5-9(18)7-11(12)19/h2-8,22H,1H3,(H,20,23)(H,21,24)
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UniChem

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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human plasma Lp-PLA2 using 2- thio-PAF as substrate incubated for 20 mins prior to substrate addition measured after 1 hr


Bioorg Med Chem Lett 23: 1553-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.048
BindingDB Entry DOI: 10.7270/Q2571DCV
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50429101
PNG
(CHEMBL2335780)
Show SMILES CS(=O)(=O)Nc1cccc2c(O)cc(nc12)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C17H13F2N3O4S/c1-27(25,26)22-13-4-2-3-10-15(23)8-14(20-16(10)13)17(24)21-12-6-5-9(18)7-11(12)19/h2-8,22H,1H3,(H,20,23)(H,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 41n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of TAMRA-tagged AX4870 labeling of human recombinant N-terminal hexahistidine-tagged Lp-PLA2 expressed in Escherichia coli incubated for 2...


Bioorg Med Chem Lett 23: 1553-6 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.048
BindingDB Entry DOI: 10.7270/Q2571DCV
More data for this
Ligand-Target Pair