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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 = 'BDBM50264202'   
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


(Mus musculus)
BDBM50264202
PNG
(CHEMBL4074600)
Show SMILES ONC(=O)Cc1ccc(NC(=O)CCCCCCc2ccccc2)cc1
Show InChI InChI=1S/C21H26N2O3/c24-20(11-7-2-1-4-8-17-9-5-3-6-10-17)22-19-14-12-18(13-15-19)16-21(25)23-26/h3,5-6,9-10,12-15,26H,1-2,4,7-8,11,16H2,(H,22,24)(H,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 700n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay


J Med Chem 61: 3697-3711 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)
BDBM50264202
PNG
(CHEMBL4074600)
Show SMILES ONC(=O)Cc1ccc(NC(=O)CCCCCCc2ccccc2)cc1
Show InChI InChI=1S/C21H26N2O3/c24-20(11-7-2-1-4-8-17-9-5-3-6-10-17)22-19-14-12-18(13-15-19)16-21(25)23-26/h3,5-6,9-10,12-15,26H,1-2,4,7-8,11,16H2,(H,22,24)(H,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of mouse ATX-beta using LPC 18:0 as substrate by Amplex Red PLD assay


J Med Chem 61: 3697-3711 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G
More data for this
Ligand-Target Pair