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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 = 'BDBM50054720'   
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))
BDBM50054720
PNG
((2S,5R)-1,4-Bis-{2-[bis-(4-fluoro-phenyl)-methoxy]...)
Show SMILES C[C@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@H](C)CN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C36H38F4N2O2/c1-25-23-42(20-22-44-36(29-7-15-33(39)16-8-29)30-9-17-34(40)18-10-30)26(2)24-41(25)19-21-43-35(27-3-11-31(37)12-4-27)28-5-13-32(38)14-6-28/h3-18,25-26,35-36H,19-24H2,1-2H3/t25-,26+
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 36n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity 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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50054720
PNG
((2S,5R)-1,4-Bis-{2-[bis-(4-fluoro-phenyl)-methoxy]...)
Show SMILES C[C@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@H](C)CN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C36H38F4N2O2/c1-25-23-42(20-22-44-36(29-7-15-33(39)16-8-29)30-9-17-34(40)18-10-30)26(2)24-41(25)19-21-43-35(27-3-11-31(37)12-4-27)28-5-13-32(38)14-6-28/h3-18,25-26,35-36H,19-24H2,1-2H3/t25-,26+
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 86n/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