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PubMed code 27522579

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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 2


(Homo sapiens (Human))
BDBM50187685
PNG
(CHEMBL597418)
Show SMILES [Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cc3ccccc3c3ccccc23)cc1S([O-])(=O)=O
Show InChI InChI=1S/C28H18N2O5S.Na/c29-26-23(36(33,34)35)14-22(24-25(26)28(32)20-12-6-5-11-19(20)27(24)31)30-21-13-15-7-1-2-8-16(15)17-9-3-4-10-18(17)21;/h1-14,30H,29H2,(H,33,34,35);/q;+1/p-1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NTPDase2 expressed in CHO cells using ADP as substrate incubated for 10 mins by capillary electrophoresis method


Bioorg Med Chem 24: 4363-4371 (2016)


Article DOI: 10.1016/j.bmc.2016.07.027
BindingDB Entry DOI: 10.7270/Q2GQ70Q8
More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Homo sapiens (Human))
BDBM50187685
PNG
(CHEMBL597418)
Show SMILES [Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cc3ccccc3c3ccccc23)cc1S([O-])(=O)=O
Show InChI InChI=1S/C28H18N2O5S.Na/c29-26-23(36(33,34)35)14-22(24-25(26)28(32)20-12-6-5-11-19(20)27(24)31)30-21-13-15-7-1-2-8-16(15)17-9-3-4-10-18(17)21;/h1-14,30H,29H2,(H,33,34,35);/q;+1/p-1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NTPDase1 expressed in CHO cells using ADP as substrate incubated for 10 mins by capillary electrophoresis method


Bioorg Med Chem 24: 4363-4371 (2016)


Article DOI: 10.1016/j.bmc.2016.07.027
BindingDB Entry DOI: 10.7270/Q2GQ70Q8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%