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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 = 'BDBM50180522'   
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))
BDBM50180522
PNG
((R)-1-((S)-morpholin-2-yl)-1-phenyl-2-(2-(trifluor...)
Show SMILES O[C@@](Cc1ccccc1SC(F)(F)F)([C@@H]1CNCCO1)c1ccccc1
Show InChI InChI=1S/C19H20F3NO2S/c20-19(21,22)26-16-9-5-4-6-14(16)12-18(24,15-7-2-1-3-8-15)17-13-23-10-11-25-17/h1-9,17,23-24H,10-13H2/t17-,18+/m0/s1
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PC cid
PC sid
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Patents

Article
PubMed
54.4n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Binding affinity to NET


Bioorg Med Chem Lett 16: 2022-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.061
BindingDB Entry DOI: 10.7270/Q21J9BJ5
More data for this
Ligand-Target Pair