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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 = 'BDBM50062758'   
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


(Rattus norvegicus (rat))
BDBM50062758
PNG
(CHEMBL3397796)
Show SMILES COc1cc(O)cc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)c1 |r|
Show InChI InChI=1S/C26H29NO4/c1-30-22-13-18(12-21(28)14-22)16-27-23-17-31-25(15-24(23)29)26(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,23-29H,15-17H2,1H3/t23-,24-,25+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
209n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat striatum DAT


Bioorg Med Chem 23: 821-8 (2015)


Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P
More data for this
Ligand-Target Pair