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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 = 'BDBM50312775'   
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))
BDBM50312775
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C27H24FN3O2/c1-18-17-30(13-14-31(18)27(33)23-10-7-20-11-12-29-25(20)16-23)26(32)21-8-5-19(6-9-21)22-3-2-4-24(28)15-22/h2-12,15-16,18,29H,13-14,17H2,1H3/t18-/m0/s1
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Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of NET


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
BindingDB Entry DOI: 10.7270/Q2WM1DJD
More data for this
Ligand-Target Pair