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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 = 'BDBM50062754'   
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))
BDBM50062754
PNG
(CHEMBL3397797)
Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1cc(O)cc(O)c1)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H27NO4/c27-20-11-17(12-21(28)13-20)15-26-22-16-30-24(14-23(22)29)25(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-13,22-29H,14-16H2/t22-,23-,24+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
259n/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