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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 = 'BDBM50252119'   
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))
BDBM50252119
PNG
(CHEMBL449015 | N-(3-((dimethylamino)methyl)-4-(4-(...)
Show SMILES CSc1ccc(Sc2ccc(NS(C)(=O)=O)cc2CN(C)C)cc1
Show InChI InChI=1S/C17H22N2O2S3/c1-19(2)12-13-11-14(18-24(4,20)21)5-10-17(13)23-16-8-6-15(22-3)7-9-16/h5-11,18H,12H2,1-4H3
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 530n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA reuptake in human noradrenaline transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4018-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.001
BindingDB Entry DOI: 10.7270/Q2W37W4X
More data for this
Ligand-Target Pair