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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 = 'BDBM50371299'   
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))
BDBM50371299
PNG
(CHEMBL257221)
Show SMILES CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C(=O)N1CCCN(CC1)C1CC1
Show InChI InChI=1S/C25H33N3O2S/c1-18-15-22(8-10-24(18)31-3)30-23-9-5-19(16-20(23)17-26-2)25(29)28-12-4-11-27(13-14-28)21-6-7-21/h5,8-10,15-16,21,26H,4,6-7,11-14,17H2,1-3H3
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PC cid
PC sid
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Similars

Article
PubMed
3.30E+3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human NET


Bioorg Med Chem Lett 18: 39-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD
More data for this
Ligand-Target Pair