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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 = 'BDBM322044'   
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))
BDBM322044
PNG
((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...)
Show SMILES COc1ccc(CN2CCN(CC2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)nc1
Show InChI InChI=1S/C23H26ClN7O2/c1-17-26-28-31(27-17)15-19-13-20(24)5-3-18(19)4-8-23(32)30-11-9-29(10-12-30)16-21-6-7-22(33-2)14-25-21/h3-8,13-14H,9-12,15-16H2,1-2H3/b8-4+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human recombinant ATX expressed in HEK293 cells assessed as inhibition of choline release using LPC (18:1) as substrate preincubated wi...


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127663
BindingDB Entry DOI: 10.7270/Q20P13NN
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM322044
PNG
((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...)
Show SMILES COc1ccc(CN2CCN(CC2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)nc1
Show InChI InChI=1S/C23H26ClN7O2/c1-17-26-28-31(27-17)15-19-13-20(24)5-3-18(19)4-8-23(32)30-11-9-29(10-12-30)16-21-6-7-22(33-2)14-25-21/h3-8,13-14H,9-12,15-16H2,1-2H3/b8-4+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.90n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...


US Patent US10183025 (2019)


BindingDB Entry DOI: 10.7270/Q2RN39XZ
More data for this
Ligand-Target Pair