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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 = 'BDBM50211039'   
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))
BDBM50211039
PNG
(CHEMBL232672 | methyl 2-(4-methoxyphenyl)cyclopent...)
Show SMILES COC(=O)C1=C(CCC1)c1ccc(OC)cc1 |t:4|
Show InChI InChI=1S/C14H16O3/c1-16-11-8-6-10(7-9-11)12-4-3-5-13(12)14(15)17-2/h6-9H,3-5H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.50E+5n/an/an/an/an/an/an/an/a



University of Aarhus

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from human NET expressed in COS1 cell membrane


Bioorg Med Chem 15: 4159-74 (2007)


Article DOI: 10.1016/j.bmc.2007.03.069
BindingDB Entry DOI: 10.7270/Q2ZC83PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50211039
PNG
(CHEMBL232672 | methyl 2-(4-methoxyphenyl)cyclopent...)
Show SMILES COC(=O)C1=C(CCC1)c1ccc(OC)cc1 |t:4|
Show InChI InChI=1S/C14H16O3/c1-16-11-8-6-10(7-9-11)12-4-3-5-13(12)14(15)17-2/h6-9H,3-5H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.39E+6n/an/an/an/an/an/an/an/a



University of Aarhus

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake in human NET expressed in COS1 cell membrane


Bioorg Med Chem 15: 4159-74 (2007)


Article DOI: 10.1016/j.bmc.2007.03.069
BindingDB Entry DOI: 10.7270/Q2ZC83PB
More data for this
Ligand-Target Pair