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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM50458135'   
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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50458135
PNG
(CHEMBL4214731)
Show SMILES OP(O)(=O)Cc1ccc(NC(=O)C2CCN(CC2)C(=O)OCc2ccc(OC(F)(F)F)cc2F)cc1
Show InChI InChI=1S/C22H23F4N2O7P/c23-19-11-18(35-22(24,25)26)6-3-16(19)12-34-21(30)28-9-7-15(8-10-28)20(29)27-17-4-1-14(2-5-17)13-36(31,32)33/h1-6,11,15H,7-10,12-13H2,(H,27,29)(H2,31,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of human ENPP2 using FS3 as substrate measured every 5 mins for 30 mins by fluorescence assay


Eur J Med Chem 148: 397-409 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.049
BindingDB Entry DOI: 10.7270/Q2VH5RGT
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50458135
PNG
(CHEMBL4214731)
Show SMILES OP(O)(=O)Cc1ccc(NC(=O)C2CCN(CC2)C(=O)OCc2ccc(OC(F)(F)F)cc2F)cc1
Show InChI InChI=1S/C22H23F4N2O7P/c23-19-11-18(35-22(24,25)26)6-3-16(19)12-34-21(30)28-9-7-15(8-10-28)20(29)27-17-4-1-14(2-5-17)13-36(31,32)33/h1-6,11,15H,7-10,12-13H2,(H,27,29)(H2,31,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of human ENPP2 using bis-pNPP as substrate measured every 10 secs for 10 mins by spectrophotometric assay


Eur J Med Chem 148: 397-409 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.049
BindingDB Entry DOI: 10.7270/Q2VH5RGT
More data for this
Ligand-Target Pair