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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50337826'   
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))
BDBM50337826
PNG
(1-((1-(3,4-dichlorophenyl)cyclohexyl)methyl)piperi...)
Show SMILES Clc1ccc(cc1Cl)C1(CN2CCCCC2)CCCCC1
Show InChI InChI=1S/C18H25Cl2N/c19-16-8-7-15(13-17(16)20)18(9-3-1-4-10-18)14-21-11-5-2-6-12-21/h7-8,13H,1-6,9-12,14H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 12n/an/an/an/an/an/a



SUNOVION PHARAMCEUTICALS INC.

US Patent


Assay Description
Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 c...


US Patent US10562878 (2020)


BindingDB Entry DOI: 10.7270/Q2XP77BX
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50337826
PNG
(1-((1-(3,4-dichlorophenyl)cyclohexyl)methyl)piperi...)
Show SMILES Clc1ccc(cc1Cl)C1(CN2CCCCC2)CCCCC1
Show InChI InChI=1S/C18H25Cl2N/c19-16-8-7-15(13-17(16)20)18(9-3-1-4-10-18)14-21-11-5-2-6-12-21/h7-8,13H,1-6,9-12,14H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dopamine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair