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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleoside triphosphate diphosphohydrolase 1' and Ligand = 'BDBM50552129'   
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
Ectonucleoside triphosphate diphosphohydrolase 1


(Rattus norvegicus)
BDBM50552129
PNG
(CHEMBL4744335)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#7]-c1c(cc(-[#7]-c2ccc(-[#7]-c3nc(Cl)nc(-[#7]-c4ccc(c(c4)S([#8-])(=O)=O)S([#8-])(=O)=O)n3)c(c2)S([#8-])(=O)=O)c2-[#6](=O)-c3ccccc3-[#6](=O)-c12)S([#8-])(=O)=O
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat CD39 expressed in CHO cells using ATP as substrate incubated for 10 mins by UV absorbance method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01044
BindingDB Entry DOI: 10.7270/Q2B27ZZ6
More data for this
Ligand-Target Pair