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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50490613'   
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 dopamine transporter


(Homo sapiens (Human))
BDBM50490613
PNG
(CHEMBL2337598)
Show SMILES [H][C@]1(CCNC1)[C@H](Oc1ccccc1F)c1ccccc1 |r|
Show InChI InChI=1S/C17H18FNO/c18-15-8-4-5-9-16(15)20-17(14-10-11-19-12-14)13-6-2-1-3-7-13/h1-9,14,17,19H,10-12H2/t14-,17-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
126n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane


Bioorg Med Chem Lett 23: 1456-61 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.061
BindingDB Entry DOI: 10.7270/Q2XD14M7
More data for this
Ligand-Target Pair