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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 = 'BDBM50062761'   
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))
BDBM50062761
PNG
(CHEMBL3397810)
Show SMILES Oc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |r|
Show InChI InChI=1S/C25H25F2NO2/c26-20-7-3-18(4-8-20)25(19-5-9-21(27)10-6-19)24-14-11-22(16-30-24)28-15-17-1-12-23(29)13-2-17/h1-10,12-13,22,24-25,28-29H,11,14-16H2/t22-,24-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
29n/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