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BDBM50395088 CHEMBL2164285

SMILES: NS(=O)(=O)c1cc(Cl)c(NC(=O)c2c(O)c3ccccc3[nH]c2=O)c(Cl)c1

InChI Key: InChIKey=WHJMQPIUARAARR-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50395088   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50395088
PNG
(CHEMBL2164285)
Show SMILES NS(=O)(=O)c1cc(Cl)c(NC(=O)c2c(O)c3ccccc3[nH]c2=O)c(Cl)c1
Show InChI InChI=1S/C16H11Cl2N3O5S/c17-9-5-7(27(19,25)26)6-10(18)13(9)21-16(24)12-14(22)8-3-1-2-4-11(8)20-15(12)23/h1-6H,(H,21,24)(H2,19,25,26)(H2,20,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.55E+4n/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant ecto-5'-nucleotidase using [3H]AMP substrate


J Med Chem 55: 6576-81 (2012)


Article DOI: 10.1021/jm300658n
BindingDB Entry DOI: 10.7270/Q2DR2WNZ
More data for this
Ligand-Target Pair