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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 = 'BDBM321867'   
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))
BDBM321867
PNG
((E)-1-(4-(5-Methyl-1,2,4-oxadiazol-3-yl)piperidin-...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)c2noc(C)n2)C(F)(F)F)n1
Show InChI InChI=1S/C21H22F3N7O2/c1-13-26-29-31(27-13)12-17-11-18(21(22,23)24)5-3-15(17)4-6-19(32)30-9-7-16(8-10-30)20-25-14(2)33-28-20/h3-6,11,16H,7-10,12H2,1-2H3/b6-4+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.80n/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))
BDBM321867
PNG
((E)-1-(4-(5-Methyl-1,2,4-oxadiazol-3-yl)piperidin-...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCC(CC2)c2noc(C)n2)C(F)(F)F)n1
Show InChI InChI=1S/C21H22F3N7O2/c1-13-26-29-31(27-13)12-17-11-18(21(22,23)24)5-3-15(17)4-6-19(32)30-9-7-16(8-10-30)20-25-14(2)33-28-20/h3-6,11,16H,7-10,12H2,1-2H3/b6-4+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.80n/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