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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50043303'   
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))
BDBM50043303
PNG
((1-Benzo[b]thiophen-2-yl-cyclohexyl)-butyl-amine |...)
Show SMILES CCCCNC1(CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C18H25NS/c1-2-3-13-19-18(11-7-4-8-12-18)17-14-15-9-5-6-10-16(15)20-17/h5-6,9-10,14,19H,2-4,7-8,11-13H2,1H3
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.300n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for radioligand [3H]BTCP displacement from dopamine transporter in rat forebrain


J Med Chem 36: 4075-81 (1994)


BindingDB Entry DOI: 10.7270/Q2KK9CFJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50043303
PNG
((1-Benzo[b]thiophen-2-yl-cyclohexyl)-butyl-amine |...)
Show SMILES CCCCNC1(CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C18H25NS/c1-2-3-13-19-18(11-7-4-8-12-18)17-14-15-9-5-6-10-16(15)20-17/h5-6,9-10,14,19H,2-4,7-8,11-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for inhibition of radioligand [3H]dopamine (DA) uptake in rat synaptosomes


J Med Chem 36: 4075-81 (1994)


BindingDB Entry DOI: 10.7270/Q2KK9CFJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50043303
PNG
((1-Benzo[b]thiophen-2-yl-cyclohexyl)-butyl-amine |...)
Show SMILES CCCCNC1(CCCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C18H25NS/c1-2-3-13-19-18(11-7-4-8-12-18)17-14-15-9-5-6-10-16(15)20-17/h5-6,9-10,14,19H,2-4,7-8,11-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 60n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for radioligand [3H]cocaine displacement from dopamine transporter in rat forebrain


J Med Chem 36: 4075-81 (1994)


BindingDB Entry DOI: 10.7270/Q2KK9CFJ
More data for this
Ligand-Target Pair