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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50056571'   
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))
BDBM50056571
PNG
(1-(2-(bis(4-fluorophenyl)methoxy)ethyl)-4-(naphtha...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C30H30F2N2O/c31-28-11-7-25(8-12-28)30(26-9-13-29(32)14-10-26)35-20-19-33-15-17-34(18-16-33)22-23-5-6-24-3-1-2-4-27(24)21-23/h1-14,21,30H,15-20,22H2
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8n/an/an/an/an/an/an/an/a



University Heights

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from DAT in rat brain synaptosomes


Bioorg Med Chem 15: 1146-59 (2006)


Article DOI: 10.1016/j.bmc.2006.09.070
BindingDB Entry DOI: 10.7270/Q2M61JXC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056571
PNG
(1-(2-(bis(4-fluorophenyl)methoxy)ethyl)-4-(naphtha...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C30H30F2N2O/c31-28-11-7-25(8-12-28)30(26-9-13-29(32)14-10-26)35-20-19-33-15-17-34(18-16-33)22-23-5-6-24-3-1-2-4-27(24)21-23/h1-14,21,30H,15-20,22H2
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n/an/a 8n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity at the dopamine transporter using [125I]-RTI-55 in rat caudate membranes.


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056571
PNG
(1-(2-(bis(4-fluorophenyl)methoxy)ethyl)-4-(naphtha...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C30H30F2N2O/c31-28-11-7-25(8-12-28)30(26-9-13-29(32)14-10-26)35-20-19-33-15-17-34(18-16-33)22-23-5-6-24-3-1-2-4-27(24)21-23/h1-14,21,30H,15-20,22H2
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n/an/a 30n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Reuptake inhibition at the dopamine transporter labeled with radioligand [3H]-dopamine on synaptosomes obtained from rat caudate.


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50056571
PNG
(1-(2-(bis(4-fluorophenyl)methoxy)ethyl)-4-(naphtha...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(Cc2ccc3ccccc3c2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C30H30F2N2O/c31-28-11-7-25(8-12-28)30(26-9-13-29(32)14-10-26)35-20-19-33-15-17-34(18-16-33)22-23-5-6-24-3-1-2-4-27(24)21-23/h1-14,21,30H,15-20,22H2
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n/an/a 588n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Reuptake inhibition at the dopamine transporter labeled with radioligand [3H]-5-HT on synaptosomes obtained from whole rat brain minus cerebellum.


J Med Chem 40: 705-16 (1997)


Article DOI: 10.1021/jm9606599
BindingDB Entry DOI: 10.7270/Q2XD10ST
More data for this
Ligand-Target Pair