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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50026752'   
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))
BDBM50026752
PNG
(1-Methyl-4-phenyl-piperidine-4-carboxylic acid eth...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccccc1
Show InChI InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
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KEGG

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
1.78E+4n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35,428 from dopamine transporter (DAT)


Bioorg Med Chem Lett 9: 3273-6 (2000)


BindingDB Entry DOI: 10.7270/Q23F4NVM
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50026752
PNG
(1-Methyl-4-phenyl-piperidine-4-carboxylic acid eth...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccccc1
Show InChI InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.78E+4n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to rat dopamine transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50026752
PNG
(1-Methyl-4-phenyl-piperidine-4-carboxylic acid eth...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccccc1
Show InChI InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.78E+4n/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 Sprague-Dawley rat brain after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 8356-64 (2010)


Article DOI: 10.1016/j.bmc.2010.09.060
BindingDB Entry DOI: 10.7270/Q2CN744P
More data for this
Ligand-Target Pair