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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 = 'BDBM50132685'   
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))
BDBM50132685
PNG
(CHEMBL109571 | Dimethyl-(3-naphthalen-2-yl-bicyclo...)
Show SMILES CN(C)CC1C2CCC(C2)C1c1ccc2ccccc2c1
Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
18n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN-35,428 from Dopamine transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50132685
PNG
(CHEMBL109571 | Dimethyl-(3-naphthalen-2-yl-bicyclo...)
Show SMILES CN(C)CC1C2CCC(C2)C1c1ccc2ccccc2c1
Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 95n/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-citalopram from Serotonin transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair