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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 = 'BDBM50300516'   
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))
BDBM50300516
PNG
((1S,2R)-1-(4-fluoro-1H-indol-1-yl)-1-(3-fluorophen...)
Show SMILES CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2c(F)cccc12 |r|
Show InChI InChI=1S/C18H18F2N2O/c1-21-11-17(23)18(12-4-2-5-13(19)10-12)22-9-8-14-15(20)6-3-7-16(14)22/h2-10,17-18,21,23H,11H2,1H3/t17-,18+/m1/s1
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Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 5807-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.050
BindingDB Entry DOI: 10.7270/Q2H70FV8
More data for this
Ligand-Target Pair