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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 = 'BDBM50054747'   
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))
BDBM50054747
PNG
(((S)-1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-p...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCC[C@H]1CNCCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H34F2N2O/c30-26-14-10-24(11-15-26)29(25-12-16-27(31)17-13-25)34-21-20-33-19-5-9-28(33)22-32-18-4-8-23-6-2-1-3-7-23/h1-3,6-7,10-17,28-29,32H,4-5,8-9,18-22H2/t28-/m0/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 29n/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))
BDBM50054747
PNG
(((S)-1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-p...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCC[C@H]1CNCCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H34F2N2O/c30-26-14-10-24(11-15-26)29(25-12-16-27(31)17-13-25)34-21-20-33-19-5-9-28(33)22-32-18-4-8-23-6-2-1-3-7-23/h1-3,6-7,10-17,28-29,32H,4-5,8-9,18-22H2/t28-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 104n/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