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PubMed code 19442525

Compile data set for download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (human))
BDBM50293605
PNG
(1-(4-aminophenyl)-2-pyrrolidin-1-yl-pentan-1-one |...)
Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(N)cc1
Show InChI InChI=1S/C15H22N2O/c1-2-5-14(17-10-3-4-11-17)15(18)12-6-8-13(16)9-7-12/h6-9,14H,2-5,10-11,16H2,1H3
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5n/an/an/an/an/an/an/an/a



Duquesne University Mylan School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from human dopamine transporter expressed in mouse N2A cells by scintillation counting


Bioorg Med Chem 17: 3770-4 (2009)


Article DOI: 10.1016/j.bmc.2009.04.057
BindingDB Entry DOI: 10.7270/Q2SJ1KN6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50182555
PNG
(1-(4-methylphenyl)-2-pyrrolidin-1-yl-pentan-1-one ...)
Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C16H23NO/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3
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8n/an/an/an/an/an/an/an/a



Duquesne University Mylan School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from human dopamine transporter expressed in mouse N2A cells by scintillation counting


Bioorg Med Chem 17: 3770-4 (2009)


Article DOI: 10.1016/j.bmc.2009.04.057
BindingDB Entry DOI: 10.7270/Q2SJ1KN6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50293604
PNG
(1-(4-amino-3-iodophenyl)-2-pyrrolidin-1-yl-pentan-...)
Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(N)c(I)c1
Show InChI InChI=1S/C15H21IN2O/c1-2-5-14(18-8-3-4-9-18)15(19)11-6-7-13(17)12(16)10-11/h6-7,10,14H,2-5,8-9,17H2,1H3
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28n/an/an/an/an/an/an/an/a



Duquesne University Mylan School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from human dopamine transporter expressed in mouse N2A cells by scintillation counting


Bioorg Med Chem 17: 3770-4 (2009)


Article DOI: 10.1016/j.bmc.2009.04.057
BindingDB Entry DOI: 10.7270/Q2SJ1KN6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50293606
PNG
(1-(4-azio-3-iodophenyl)-2-pyrroldin-1-yl-pentan-1-...)
Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(N=[N+]=[N-])c(I)c1
Show InChI InChI=1S/C15H19IN4O/c1-2-5-14(20-8-3-4-9-20)15(21)11-6-7-13(18-19-17)12(16)10-11/h6-7,10,14H,2-5,8-9H2,1H3
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78n/an/an/an/an/an/an/an/a



Duquesne University Mylan School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from human dopamine transporter expressed in mouse N2A cells by scintillation counting


Bioorg Med Chem 17: 3770-4 (2009)


Article DOI: 10.1016/j.bmc.2009.04.057
BindingDB Entry DOI: 10.7270/Q2SJ1KN6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50048392
PNG
(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
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441n/an/an/an/an/an/an/an/a



Duquesne University Mylan School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from human dopamine transporter expressed in mouse N2A cells by scintillation counting


Bioorg Med Chem 17: 3770-4 (2009)


Article DOI: 10.1016/j.bmc.2009.04.057
BindingDB Entry DOI: 10.7270/Q2SJ1KN6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50293605
PNG
(1-(4-aminophenyl)-2-pyrrolidin-1-yl-pentan-1-one |...)
Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(N)cc1
Show InChI InChI=1S/C15H22N2O/c1-2-5-14(17-10-3-4-11-17)15(18)12-6-8-13(16)9-7-12/h6-9,14H,2-5,10-11,16H2,1H3
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n/an/a 7n/an/an/an/an/an/a



Duquesne University Mylan School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at human dopamine transporter expressed in mouse N2A cells by scintillation counting


Bioorg Med Chem 17: 3770-4 (2009)


Article DOI: 10.1016/j.bmc.2009.04.057
BindingDB Entry DOI: 10.7270/Q2SJ1KN6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50182555
PNG
(1-(4-methylphenyl)-2-pyrrolidin-1-yl-pentan-1-one ...)
Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C16H23NO/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3
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PubMed
n/an/a 32n/an/an/an/an/an/a



Duquesne University Mylan School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at human dopamine transporter expressed in mouse N2A cells by scintillation counting


Bioorg Med Chem 17: 3770-4 (2009)


Article DOI: 10.1016/j.bmc.2009.04.057
BindingDB Entry DOI: 10.7270/Q2SJ1KN6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50293604
PNG
(1-(4-amino-3-iodophenyl)-2-pyrrolidin-1-yl-pentan-...)
Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(N)c(I)c1
Show InChI InChI=1S/C15H21IN2O/c1-2-5-14(18-8-3-4-9-18)15(19)11-6-7-13(17)12(16)10-11/h6-7,10,14H,2-5,8-9,17H2,1H3
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n/an/a 175n/an/an/an/an/an/a



Duquesne University Mylan School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at human dopamine transporter expressed in mouse N2A cells by scintillation counting


Bioorg Med Chem 17: 3770-4 (2009)


Article DOI: 10.1016/j.bmc.2009.04.057
BindingDB Entry DOI: 10.7270/Q2SJ1KN6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50293606
PNG
(1-(4-azio-3-iodophenyl)-2-pyrroldin-1-yl-pentan-1-...)
Show SMILES CCCC(N1CCCC1)C(=O)c1ccc(N=[N+]=[N-])c(I)c1
Show InChI InChI=1S/C15H19IN4O/c1-2-5-14(20-8-3-4-9-20)15(21)11-6-7-13(18-19-17)12(16)10-11/h6-7,10,14H,2-5,8-9H2,1H3
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n/an/a 264n/an/an/an/an/an/a



Duquesne University Mylan School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at human dopamine transporter expressed in mouse N2A cells by scintillation counting


Bioorg Med Chem 17: 3770-4 (2009)


Article DOI: 10.1016/j.bmc.2009.04.057
BindingDB Entry DOI: 10.7270/Q2SJ1KN6
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50048392
PNG
(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
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PubMed
n/an/a 1.57E+3n/an/an/an/an/an/a



Duquesne University Mylan School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at human dopamine transporter expressed in mouse N2A cells by scintillation counting


Bioorg Med Chem 17: 3770-4 (2009)


Article DOI: 10.1016/j.bmc.2009.04.057
BindingDB Entry DOI: 10.7270/Q2SJ1KN6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%