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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 = 'BDBM50187691'   
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))
BDBM50187691
PNG
(CHEMBL3828178 | US9951026, 1-1)
Show SMILES OC(=O)c1ccc(cc1)C(=C\c1nn(Cc2ccc(F)cc2)c2cc(Cl)ccc12)\C#N
Show InChI InChI=1S/C24H15ClFN3O2/c25-19-7-10-21-22(11-18(13-27)16-3-5-17(6-4-16)24(30)31)28-29(23(21)12-19)14-15-1-8-20(26)9-2-15/h1-12H,14H2,(H,30,31)/b18-11+
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a<500n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...


Bioorg Med Chem 16: 6965-75 (2008)


BindingDB Entry DOI: 10.7270/Q2X069BG
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50187691
PNG
(CHEMBL3828178 | US9951026, 1-1)
Show SMILES OC(=O)c1ccc(cc1)C(=C\c1nn(Cc2ccc(F)cc2)c2cc(Cl)ccc12)\C#N
Show InChI InChI=1S/C24H15ClFN3O2/c25-19-7-10-21-22(11-18(13-27)16-3-5-17(6-4-16)24(30)31)28-29(23(21)12-19)14-15-1-8-20(26)9-2-15/h1-12H,14H2,(H,30,31)/b18-11+
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a<500n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Inhibition of recombinant ATX in human Hep3B cells using lysophosphatidylcholine as substrate preincubated for 15 mins followed by substrate addition...


J Med Chem 59: 5604-21 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01599
BindingDB Entry DOI: 10.7270/Q2BZ681D
More data for this
Ligand-Target Pair