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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent noradrenaline transporter' and Ligand = 'BDBM50325936'   
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
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50325936
PNG
((S)-3-(5-(2H-1,2,3-triazol-2-yl)-2H-tetrazol-2-yl)...)
Show SMILES CNCC[C@@H](c1ccc(Cl)c(Cl)c1)n1nnc(n1)-n1nccn1 |r|
Show InChI InChI=1S/C13H14Cl2N8/c1-16-5-4-12(9-2-3-10(14)11(15)8-9)22-20-13(19-21-22)23-17-6-7-18-23/h2-3,6-8,12,16H,4-5H2,1H3/t12-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14.7n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine reuptake at human NET expressed in MDCK cells


Bioorg Med Chem Lett 20: 5567-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7
More data for this
Ligand-Target Pair