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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 = 'BDBM50300517'   
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))		BDBM50300517
PNG
((1S,2R)-1-(3-fluorophenyl)-1-(7-methyl-1H-indol-1-...)
Show SMILES CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2cccc(C)c12 |r|
Show InChI InChI=1S/C19H21FN2O/c1-13-5-3-6-14-9-10-22(18(13)14)19(17(23)12-21-2)15-7-4-8-16(20)11-15/h3-11,17,19,21,23H,12H2,1-2H3/t17-,19+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells

Bioorg Med Chem Lett 19: 5807-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.050
BindingDB Entry DOI: 10.7270/Q2H70FV8
More data for this
Ligand-Target Pair