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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM516881'   
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))
BDBM516881
PNG
(US11104665, Example 1.2)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CNc2ccc(OCc3cncc(c3)C#N)nn2)cc1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VX0KN7
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM516881
PNG
(US11104665, Example 1.2)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CNc2ccc(OCc3cncc(c3)C#N)nn2)cc1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human autotaxin assessed as reduction in LPA production using LPC as substrate after 2 hrs by Rapidfire-MS analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00467
BindingDB Entry DOI: 10.7270/Q25X2DNQ
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM516881
PNG
(US11104665, Example 1.2)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CNc2ccc(OCc3cncc(c3)C#N)nn2)cc1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 55n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ATX in human whole blood assessed as reduction in LPA level after 1 hr by rapidFire based MS/MS analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00467
BindingDB Entry DOI: 10.7270/Q25X2DNQ
More data for this
Ligand-Target Pair