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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 = 'BDBM50061952'   
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))
BDBM50061952
PNG
((3,6-Dibenzyl-8-methyl-8-aza-bicyclo[3.2.1]oct-2-e...)
Show SMILES COC(=O)CC1=C(Cc2ccccc2)CC2C(Cc3ccccc3)CC1N2C |c:5,TLB:17:16:26:5.6.14,THB:4:5:26:16.24,7:6:26:16.24,27:26:5.6.14:16.24|
Show InChI InChI=1S/C25H29NO2/c1-26-23-15-20(13-18-9-5-3-6-10-18)22(17-25(27)28-2)24(26)16-21(23)14-19-11-7-4-8-12-19/h3-12,21,23-24H,13-17H2,1-2H3
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.79E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity to dopamine transporter (DAT) using [3H]WIN-35428 as a radioligand


J Med Chem 43: 4151-9 (2000)


Article DOI: 10.1021/jm990472s
BindingDB Entry DOI: 10.7270/Q2PK0JWZ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50061952
PNG
((3,6-Dibenzyl-8-methyl-8-aza-bicyclo[3.2.1]oct-2-e...)
Show SMILES COC(=O)CC1=C(Cc2ccccc2)CC2C(Cc3ccccc3)CC1N2C |c:5,TLB:17:16:26:5.6.14,THB:4:5:26:16.24,7:6:26:16.24,27:26:5.6.14:16.24|
Show InChI InChI=1S/C25H29NO2/c1-26-23-15-20(13-18-9-5-3-6-10-18)22(17-25(27)28-2)24(26)16-21(23)14-19-11-7-4-8-12-19/h3-12,21,23-24H,13-17H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.83E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from dopamine transporter in rat caudate putamen tissue


J Med Chem 40: 4406-14 (1998)


Article DOI: 10.1021/jm970549h
BindingDB Entry DOI: 10.7270/Q22R3SBZ
More data for this
Ligand-Target Pair