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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 = 'BDBM50180531'   
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))
BDBM50180531
PNG
((R)-2-(2-ethoxyphenyl)-1-((S)-morpholin-2-yl)-1-ph...)
Show SMILES CCOc1ccccc1C[C@](O)([C@@H]1CNCCO1)c1ccccc1
Show InChI InChI=1S/C20H25NO3/c1-2-23-18-11-7-6-8-16(18)14-20(22,17-9-4-3-5-10-17)19-15-21-12-13-24-19/h3-11,19,21-22H,2,12-15H2,1H3/t19-,20+/m0/s1
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PC cid
PC sid
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Patents


Similars

Article
PubMed
5.20n/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