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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 = 'BDBM321898'   
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))
BDBM321898
PNG
((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...)
Show SMILES Cc1cnc(CC2CCN(CC2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)o1
Show InChI InChI=1S/C22H25ClN6O2/c1-15-13-24-21(31-15)11-17-7-9-28(10-8-17)22(30)6-4-18-3-5-20(23)12-19(18)14-29-26-16(2)25-27-29/h3-6,12-13,17H,7-11,14H2,1-2H3/b6-4+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90n/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))
BDBM321898
PNG
((E)-3-(4-Chloro-2-((5-methyl-2H-tetrazol-2-yl)meth...)
Show SMILES Cc1cnc(CC2CCN(CC2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)o1
Show InChI InChI=1S/C22H25ClN6O2/c1-15-13-24-21(31-15)11-17-7-9-28(10-8-17)22(30)6-4-18-3-5-20(23)12-19(18)14-29-26-16(2)25-27-29/h3-6,12-13,17H,7-11,14H2,1-2H3/b6-4+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.90n/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