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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 = 'BDBM50490622'   
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))
BDBM50490622
PNG
(CHEMBL2338044)
Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1c(F)ccc(F)c1F)c1ccccc1 |r|
Show InChI InChI=1S/C17H16F3NO/c18-13-6-7-14(19)17(15(13)20)22-16(12-8-9-21-10-12)11-4-2-1-3-5-11/h1-7,12,16,21H,8-10H2/t12-,16-/m0/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