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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 = 'BDBM50054736'   
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))
BDBM50054736
PNG
(CHEMBL140104 | N-(2-Benzhydryloxy-ethyl)-N'-(3-phe...)
Show SMILES C(CCNCCOC(c1ccccc1)c1ccccc1)CNCCCc1ccccc1
Show InChI InChI=1S/C28H36N2O/c1-4-13-25(14-5-1)15-12-22-29-20-10-11-21-30-23-24-31-28(26-16-6-2-7-17-26)27-18-8-3-9-19-27/h1-9,13-14,16-19,28-30H,10-12,15,20-24H2
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 35n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of dopamine DA reuptake


J Med Chem 39: 4704-16 (1997)


Article DOI: 10.1021/jm960305h
BindingDB Entry DOI: 10.7270/Q2QZ2BN6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50054736
PNG
(CHEMBL140104 | N-(2-Benzhydryloxy-ethyl)-N'-(3-phe...)
Show SMILES C(CCNCCOC(c1ccccc1)c1ccccc1)CNCCCc1ccccc1
Show InChI InChI=1S/C28H36N2O/c1-4-13-25(14-5-1)15-12-22-29-20-10-11-21-30-23-24-31-28(26-16-6-2-7-17-26)27-18-8-3-9-19-27/h1-9,13-14,16-19,28-30H,10-12,15,20-24H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding against Dopamine transporter using radioligand as [3H]GBR 12935


J Med Chem 39: 4704-16 (1997)


Article DOI: 10.1021/jm960305h
BindingDB Entry DOI: 10.7270/Q2QZ2BN6
More data for this
Ligand-Target Pair