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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 = 'BDBM50458124'   
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))
BDBM50458124
PNG
(CHEMBL4208368)
Show SMILES NS(=O)(=O)Cc1ccc(NC(=O)C2CCN(CC2)C(=O)OCc2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C21H23Cl2N3O5S/c22-17-9-15(10-18(23)11-17)12-31-21(28)26-7-5-16(6-8-26)20(27)25-19-3-1-14(2-4-19)13-32(24,29)30/h1-4,9-11,16H,5-8,12-13H2,(H,25,27)(H2,24,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.60n/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))
BDBM50458124
PNG
(CHEMBL4208368)
Show SMILES NS(=O)(=O)Cc1ccc(NC(=O)C2CCN(CC2)C(=O)OCc2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C21H23Cl2N3O5S/c22-17-9-15(10-18(23)11-17)12-31-21(28)26-7-5-16(6-8-26)20(27)25-19-3-1-14(2-4-19)13-32(24,29)30/h1-4,9-11,16H,5-8,12-13H2,(H,25,27)(H2,24,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 74n/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