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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 = 'BDBM50242923'   
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))
BDBM50242923
PNG
(1-[1-(3-Methoxyphenyl)-2-piperazin-1-ylethyl]cyclo...)
Show SMILES COc1cccc(c1)C(CN1CCNCC1)C1(O)CCCCC1
Show InChI InChI=1S/C19H30N2O2/c1-23-17-7-5-6-16(14-17)18(15-21-12-10-20-11-13-21)19(22)8-3-2-4-9-19/h5-7,14,18,20,22H,2-4,8-13,15H2,1H3
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
745n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50242923
PNG
(1-[1-(3-Methoxyphenyl)-2-piperazin-1-ylethyl]cyclo...)
Show SMILES COc1cccc(c1)C(CN1CCNCC1)C1(O)CCCCC1
Show InChI InChI=1S/C19H30N2O2/c1-23-17-7-5-6-16(14-17)18(15-21-12-10-20-11-13-21)19(22)8-3-2-4-9-19/h5-7,14,18,20,22H,2-4,8-13,15H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 870n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair