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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 = 'BDBM50334767'   
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))
BDBM50334767
PNG
((2R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Show SMILES CN[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15+/m0/s1
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Article
PubMed
n/an/a 73n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant norepinephrine transporter


Bioorg Med Chem Lett 21: 520-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.086
BindingDB Entry DOI: 10.7270/Q2DJ5FWS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50334767
PNG
((2R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)
Show SMILES CN[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r|
Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 73n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


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


Bioorg Med Chem 19: 663-76 (2011)


Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M
More data for this
Ligand-Target Pair