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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 = 'BDBM50252168'   
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))
BDBM50252168
PNG
(3-((dimethylamino)methyl)-4-(4-(trifluoromethoxy)p...)
Show SMILES CN(C)Cc1cc(ccc1Oc1ccc(OC(F)(F)F)cc1)C(N)=O
Show InChI InChI=1S/C17H17F3N2O3/c1-22(2)10-12-9-11(16(21)23)3-8-15(12)24-13-4-6-14(7-5-13)25-17(18,19)20/h3-9H,10H2,1-2H3,(H2,21,23)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4.20E+3n/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