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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 = 'BDBM50359604'   
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))
BDBM50359604
PNG
(CHEMBL1927882)
Show SMILES Cc1ccc(CN2[C@H]3CC[C@@H]2C\C(C3)=C/COC(c2ccccc2)c2ccccc2)cc1 |r,THB:5:6:13.12.11:9.8|
Show InChI InChI=1S/C30H33NO/c1-23-12-14-24(15-13-23)22-31-28-16-17-29(31)21-25(20-28)18-19-32-30(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-15,18,28-30H,16-17,19-22H2,1H3/b25-18-/t28-,29+/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain homogenates after 1 hr by scintillation counting


Bioorg Med Chem 19: 7551-8 (2011)


Article DOI: 10.1016/j.bmc.2011.10.028
BindingDB Entry DOI: 10.7270/Q2XP75CJ
More data for this
Ligand-Target Pair