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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 = 'BDBM50371303'   
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))
BDBM50371303
PNG
(CHEMBL273157)
Show SMILES CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C(=O)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C24H33N3O2S/c1-17(2)26-10-12-27(13-11-26)24(28)19-6-8-22(20(15-19)16-25-4)29-21-7-9-23(30-5)18(3)14-21/h6-9,14-15,17,25H,10-13,16H2,1-5H3
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PC cid
PC sid
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Similars

Article
PubMed
470n/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