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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 = 'BDBM50233930'   
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))
BDBM50233930
PNG
(CHEMBL4073328)
Show SMILES Cc1[nH]c2cc(Cl)ccc2c1Sc1cccc(n1)C(O)=O
Show InChI InChI=1S/C15H11ClN2O2S/c1-8-14(10-6-5-9(16)7-12(10)17-8)21-13-4-2-3-11(18-13)15(19)20/h2-7,17H,1H3,(H,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of human ATX expressed in HEK293 Flp-In cells using LPC as substrate measured every 30 sec for 90 mins by fluorescence assay


J Med Chem 60: 722-748 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01597
BindingDB Entry DOI: 10.7270/Q2MW2KCW
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50233930
PNG
(CHEMBL4073328)
Show SMILES Cc1[nH]c2cc(Cl)ccc2c1Sc1cccc(n1)C(O)=O
Show InChI InChI=1S/C15H11ClN2O2S/c1-8-14(10-6-5-9(16)7-12(10)17-8)21-13-4-2-3-11(18-13)15(19)20/h2-7,17H,1H3,(H,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 604n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ATX using bisP-nitrophenyl phosphate as substrate measured after 30 mins


J Med Chem 60: 722-748 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01597
BindingDB Entry DOI: 10.7270/Q2MW2KCW
More data for this
Ligand-Target Pair