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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 = 'BDBM50054722'   
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))
BDBM50054722
PNG
((2S,5R)-1,4-Bis-(2-benzhydryloxy-ethyl)-2,5-dimeth...)
Show SMILES C[C@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@H](C)CN1CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H42N2O2/c1-29-27-38(24-26-40-36(33-19-11-5-12-20-33)34-21-13-6-14-22-34)30(2)28-37(29)23-25-39-35(31-15-7-3-8-16-31)32-17-9-4-10-18-32/h3-22,29-30,35-36H,23-28H2,1-2H3/t29-,30+
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/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))
BDBM50054722
PNG
((2S,5R)-1,4-Bis-(2-benzhydryloxy-ethyl)-2,5-dimeth...)
Show SMILES C[C@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@H](C)CN1CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H42N2O2/c1-29-27-38(24-26-40-36(33-19-11-5-12-20-33)34-21-13-6-14-22-34)30(2)28-37(29)23-25-39-35(31-15-7-3-8-16-31)32-17-9-4-10-18-32/h3-22,29-30,35-36H,23-28H2,1-2H3/t29-,30+
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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