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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent noradrenaline transporter' and Ligand = 'BDBM50297351'   
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))
BDBM50297351
PNG
(1-Ethyl-4-fluoro-3-[(1S,2R)-2-hydroxy-3-(methylami...)
Show SMILES CCn1c2cccc(F)c2n([C@H]([C@H](O)CNC)c2cccc(F)c2)c1=O |r|
Show InChI InChI=1S/C19H21F2N3O2/c1-3-23-15-9-5-8-14(21)18(15)24(19(23)26)17(16(25)11-22-2)12-6-4-7-13(20)10-12/h4-10,16-17,22,25H,3,11H2,1-2H3/t16-,17+/m1/s1
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PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 4.10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine binding to human NET expressed in MDCK-Net6 cells by plate scintillation counting


J Med Chem 52: 5703-11 (2009)


Article DOI: 10.1021/jm900888c
BindingDB Entry DOI: 10.7270/Q2CR5V9W
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50297351
PNG
(1-Ethyl-4-fluoro-3-[(1S,2R)-2-hydroxy-3-(methylami...)
Show SMILES CCn1c2cccc(F)c2n([C@H]([C@H](O)CNC)c2cccc(F)c2)c1=O |r|
Show InChI InChI=1S/C19H21F2N3O2/c1-3-23-15-9-5-8-14(21)18(15)24(19(23)26)17(16(25)11-22-2)12-6-4-7-13(20)10-12/h4-10,16-17,22,25H,3,11H2,1-2H3/t16-,17+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 10.4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine uptake at human NET expressed in MDCK-Net6 cells by scintillation counting


J Med Chem 52: 5703-11 (2009)


Article DOI: 10.1021/jm900888c
BindingDB Entry DOI: 10.7270/Q2CR5V9W
More data for this
Ligand-Target Pair