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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 = 'BDBM50123255'   
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))
BDBM50123255
PNG
(3-Benzhydryl-pyridine | CHEMBL149246)
Show SMILES c1ccc(cc1)C(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C18H15N/c1-3-8-15(9-4-1)18(16-10-5-2-6-11-16)17-12-7-13-19-14-17/h1-14,18H
NCI pathway
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
780n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Affinity to displace binding of [3H]WIN-35428 to dopamine transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50123255
PNG
(3-Benzhydryl-pyridine | CHEMBL149246)
Show SMILES c1ccc(cc1)C(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C18H15N/c1-3-8-15(9-4-1)18(16-10-5-2-6-11-16)17-12-7-13-19-14-17/h1-14,18H
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
860n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake evaluated at the dopamine transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair