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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 = 'BDBM50459938'   
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))
BDBM50459938
PNG
(CHEMBL4226233)
Show SMILES CN(C)C[C@@H]([C@H](O)C1CCCCC1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C21H29NO/c1-22(2)15-20(21(23)17-9-4-3-5-10-17)19-13-12-16-8-6-7-11-18(16)14-19/h6-8,11-14,17,20-21,23H,3-5,9-10,15H2,1-2H3/t20-,21-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
10n/an/an/an/an/an/an/an/a



Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL


Assay Description
Binding affinity to human NET expressed in HEK293 cells after 60 mins in presence of [3H]imipramine by liquid scintillation counting


J Med Chem 61: 2133-2165 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01827
BindingDB Entry DOI: 10.7270/Q2BV7K8M
More data for this
Ligand-Target Pair