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PubMed code 15743177

Compile data set for download or QSAR
Found 43 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 serotonin transporter


(Rattus norvegicus (rat))
BDBM50083534
PNG
(1-Methyl-4-naphthalen-2-yl-piperidine-4-carboxylic...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H23NO2/c1-3-22-18(21)19(10-12-20(2)13-11-19)17-9-8-15-6-4-5-7-16(15)14-17/h4-9,14H,3,10-13H2,1-2H3
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PubMed
7.20n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to rat serotonin transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50083536
PNG
(4-(3,4-Dichloro-phenyl)-1-methyl-piperidine-4-carb...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H19Cl2NO2/c1-3-20-14(19)15(6-8-18(2)9-7-15)11-4-5-12(16)13(17)10-11/h4-5,10H,3,6-9H2,1-2H3
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18.7n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to rat serotonin transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50083530
PNG
(4-(4-Iodo-phenyl)-1-methyl-piperidine-4-carboxylic...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccc(I)cc1
Show InChI InChI=1S/C15H20INO2/c1-3-19-14(18)15(8-10-17(2)11-9-15)12-4-6-13(16)7-5-12/h4-7H,3,8-11H2,1-2H3
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21.1n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to rat serotonin transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083536
PNG
(4-(3,4-Dichloro-phenyl)-1-methyl-piperidine-4-carb...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H19Cl2NO2/c1-3-20-14(19)15(6-8-18(2)9-7-15)11-4-5-12(16)13(17)10-11/h4-5,10H,3,6-9H2,1-2H3
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125n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to rat dopamine transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50083528
PNG
(1-Methyl-4-naphthalen-2-yl-piperidine-4-carbonitri...)
Show SMILES CN1CCC(CC1)(C#N)c1ccc2ccccc2c1
Show InChI InChI=1S/C17H18N2/c1-19-10-8-17(13-18,9-11-19)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12H,8-11H2,1H3
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125n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to rat serotonin transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50083532
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-4-carboxyl...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H20ClNO2/c1-3-19-14(18)15(8-10-17(2)11-9-15)12-4-6-13(16)7-5-12/h4-7H,3,8-11H2,1-2H3
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277n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to rat serotonin transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50083529
PNG
(4-(4-Fluoro-phenyl)-1-methyl-piperidine-4-carboxyl...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C15H20FNO2/c1-3-19-14(18)15(8-10-17(2)11-9-15)12-4-6-13(16)7-5-12/h4-7H,3,8-11H2,1-2H3
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308n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to rat serotonin transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50026752
PNG
(1-Methyl-4-phenyl-piperidine-4-carboxylic acid eth...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccccc1
Show InChI InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
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413n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to rat serotonin transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50083531
PNG
(4-(4-Iodo-phenyl)-1-methyl-piperidine-4-carbonitri...)
Show SMILES CN1CCC(CC1)(C#N)c1ccc(I)cc1
Show InChI InChI=1S/C13H15IN2/c1-16-8-6-13(10-15,7-9-16)11-2-4-12(14)5-3-11/h2-5H,6-9H2,1H3
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430n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to rat serotonin transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50083526
PNG
(4-(3,4-Dichloro-phenyl)-1-methyl-piperidine-4-carb...)
Show SMILES CN1CCC(CC1)(C#N)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H14Cl2N2/c1-17-6-4-13(9-16,5-7-17)10-2-3-11(14)12(15)8-10/h2-3,8H,4-7H2,1H3
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805n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to rat serotonin transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50026752
PNG
(1-Methyl-4-phenyl-piperidine-4-carboxylic acid eth...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccccc1
Show InChI InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
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920n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to mu-opioid receptor


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083534
PNG
(1-Methyl-4-naphthalen-2-yl-piperidine-4-carboxylic...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H23NO2/c1-3-22-18(21)19(10-12-20(2)13-11-19)17-9-8-15-6-4-5-7-16(15)14-17/h4-9,14H,3,10-13H2,1-2H3
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1.14E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to rat dopamine transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50083525
PNG
(1-Methyl-4-p-tolyl-piperidine-4-carboxylic acid et...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccc(C)cc1
Show InChI InChI=1S/C16H23NO2/c1-4-19-15(18)16(9-11-17(3)12-10-16)14-7-5-13(2)6-8-14/h5-8H,4,9-12H2,1-3H3
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1.61E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to rat serotonin transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50083534
PNG
(1-Methyl-4-naphthalen-2-yl-piperidine-4-carboxylic...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H23NO2/c1-3-22-18(21)19(10-12-20(2)13-11-19)17-9-8-15-6-4-5-7-16(15)14-17/h4-9,14H,3,10-13H2,1-2H3
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2.03E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to mu-opioid receptor


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50083536
PNG
(4-(3,4-Dichloro-phenyl)-1-methyl-piperidine-4-carb...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H19Cl2NO2/c1-3-20-14(19)15(6-8-18(2)9-7-15)11-4-5-12(16)13(17)10-11/h4-5,10H,3,6-9H2,1-2H3
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2.04E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to mu-opioid receptor


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50083530
PNG
(4-(4-Iodo-phenyl)-1-methyl-piperidine-4-carboxylic...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccc(I)cc1
Show InChI InChI=1S/C15H20INO2/c1-3-19-14(18)15(8-10-17(2)11-9-15)12-4-6-13(16)7-5-12/h4-7H,3,8-11H2,1-2H3
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2.35E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to mu-opioid receptor


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083528
PNG
(1-Methyl-4-naphthalen-2-yl-piperidine-4-carbonitri...)
Show SMILES CN1CCC(CC1)(C#N)c1ccc2ccccc2c1
Show InChI InChI=1S/C17H18N2/c1-19-10-8-17(13-18,9-11-19)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12H,8-11H2,1H3
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2.36E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to rat dopamine transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083526
PNG
(4-(3,4-Dichloro-phenyl)-1-methyl-piperidine-4-carb...)
Show SMILES CN1CCC(CC1)(C#N)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H14Cl2N2/c1-17-6-4-13(9-16,5-7-17)10-2-3-11(14)12(15)8-10/h2-3,8H,4-7H2,1H3
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2.67E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to rat dopamine transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50083525
PNG
(1-Methyl-4-p-tolyl-piperidine-4-carboxylic acid et...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccc(C)cc1
Show InChI InChI=1S/C16H23NO2/c1-4-19-15(18)16(9-11-17(3)12-10-16)14-7-5-13(2)6-8-14/h5-8H,4,9-12H2,1-3H3
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2.67E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to mu-opioid receptor


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083530
PNG
(4-(4-Iodo-phenyl)-1-methyl-piperidine-4-carboxylic...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccc(I)cc1
Show InChI InChI=1S/C15H20INO2/c1-3-19-14(18)15(8-10-17(2)11-9-15)12-4-6-13(16)7-5-12/h4-7H,3,8-11H2,1-2H3
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3.25E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to rat dopamine transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083532
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-4-carboxyl...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H20ClNO2/c1-3-19-14(18)15(8-10-17(2)11-9-15)12-4-6-13(16)7-5-12/h4-7H,3,8-11H2,1-2H3
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4.10E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to rat dopamine transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50083532
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-4-carboxyl...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H20ClNO2/c1-3-19-14(18)15(8-10-17(2)11-9-15)12-4-6-13(16)7-5-12/h4-7H,3,8-11H2,1-2H3
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4.41E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to mu-opioid receptor


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50083533
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-4-carbonit...)
Show SMILES CN1CCC(CC1)(C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H15ClN2/c1-16-8-6-13(10-15,7-9-16)11-2-4-12(14)5-3-11/h2-5H,6-9H2,1H3
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5.11E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to rat serotonin transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083531
PNG
(4-(4-Iodo-phenyl)-1-methyl-piperidine-4-carbonitri...)
Show SMILES CN1CCC(CC1)(C#N)c1ccc(I)cc1
Show InChI InChI=1S/C13H15IN2/c1-16-8-6-13(10-15,7-9-16)11-2-4-12(14)5-3-11/h2-5H,6-9H2,1H3
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8.34E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to rat dopamine transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50083524
PNG
(4-(4-Fluoro-phenyl)-1-methyl-piperidine-4-carbonit...)
Show SMILES CN1CCC(CC1)(C#N)c1ccc(F)cc1
Show InChI InChI=1S/C13H15FN2/c1-16-8-6-13(10-15,7-9-16)11-2-4-12(14)5-3-11/h2-5H,6-9H2,1H3
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1.01E+4n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to rat serotonin transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083529
PNG
(4-(4-Fluoro-phenyl)-1-methyl-piperidine-4-carboxyl...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C15H20FNO2/c1-3-19-14(18)15(8-10-17(2)11-9-15)12-4-6-13(16)7-5-12/h4-7H,3,8-11H2,1-2H3
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1.07E+4n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to rat dopamine transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083525
PNG
(1-Methyl-4-p-tolyl-piperidine-4-carboxylic acid et...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccc(C)cc1
Show InChI InChI=1S/C16H23NO2/c1-4-19-15(18)16(9-11-17(3)12-10-16)14-7-5-13(2)6-8-14/h5-8H,4,9-12H2,1-3H3
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1.24E+4n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to rat dopamine transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50083527
PNG
(1-Methyl-4-p-tolyl-piperidine-4-carbonitrile | CHE...)
Show SMILES CN1CCC(CC1)(C#N)c1ccc(C)cc1
Show InChI InChI=1S/C14H18N2/c1-12-3-5-13(6-4-12)14(11-15)7-9-16(2)10-8-14/h3-6H,7-10H2,1-2H3
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1.37E+4n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to rat serotonin transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50083528
PNG
(1-Methyl-4-naphthalen-2-yl-piperidine-4-carbonitri...)
Show SMILES CN1CCC(CC1)(C#N)c1ccc2ccccc2c1
Show InChI InChI=1S/C17H18N2/c1-19-10-8-17(13-18,9-11-19)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12H,8-11H2,1H3
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1.54E+4n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to mu-opioid receptor at 100 uM


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50083531
PNG
(4-(4-Iodo-phenyl)-1-methyl-piperidine-4-carbonitri...)
Show SMILES CN1CCC(CC1)(C#N)c1ccc(I)cc1
Show InChI InChI=1S/C13H15IN2/c1-16-8-6-13(10-15,7-9-16)11-2-4-12(14)5-3-11/h2-5H,6-9H2,1H3
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1.73E+4n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to mu-opioid receptor at 100 uM


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50026752
PNG
(1-Methyl-4-phenyl-piperidine-4-carboxylic acid eth...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccccc1
Show InChI InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
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1.78E+4n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to rat dopamine transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083533
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-4-carbonit...)
Show SMILES CN1CCC(CC1)(C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H15ClN2/c1-16-8-6-13(10-15,7-9-16)11-2-4-12(14)5-3-11/h2-5H,6-9H2,1H3
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2.20E+4n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to rat dopamine transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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3.20E+4n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to rat dopamine transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50083533
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-4-carbonit...)
Show SMILES CN1CCC(CC1)(C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H15ClN2/c1-16-8-6-13(10-15,7-9-16)11-2-4-12(14)5-3-11/h2-5H,6-9H2,1H3
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3.68E+4n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to mu-opioid receptor at 100 uM


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50083526
PNG
(4-(3,4-Dichloro-phenyl)-1-methyl-piperidine-4-carb...)
Show SMILES CN1CCC(CC1)(C#N)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H14Cl2N2/c1-17-6-4-13(9-16,5-7-17)10-2-3-11(14)12(15)8-10/h2-3,8H,4-7H2,1H3
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4.00E+4n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to mu-opioid receptor


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50083527
PNG
(1-Methyl-4-p-tolyl-piperidine-4-carbonitrile | CHE...)
Show SMILES CN1CCC(CC1)(C#N)c1ccc(C)cc1
Show InChI InChI=1S/C14H18N2/c1-12-3-5-13(6-4-12)14(11-15)7-9-16(2)10-8-14/h3-6H,7-10H2,1-2H3
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4.06E+4n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to mu-opioid receptor


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50083527
PNG
(1-Methyl-4-p-tolyl-piperidine-4-carbonitrile | CHE...)
Show SMILES CN1CCC(CC1)(C#N)c1ccc(C)cc1
Show InChI InChI=1S/C14H18N2/c1-12-3-5-13(6-4-12)14(11-15)7-9-16(2)10-8-14/h3-6H,7-10H2,1-2H3
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4.18E+4n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to rat dopamine transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50083534
PNG
(1-Methyl-4-naphthalen-2-yl-piperidine-4-carboxylic...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H23NO2/c1-3-22-18(21)19(10-12-20(2)13-11-19)17-9-8-15-6-4-5-7-16(15)14-17/h4-9,14H,3,10-13H2,1-2H3
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7.11E+4n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nisoxetine binding to rat norepinephrine transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50083536
PNG
(4-(3,4-Dichloro-phenyl)-1-methyl-piperidine-4-carb...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H19Cl2NO2/c1-3-20-14(19)15(6-8-18(2)9-7-15)11-4-5-12(16)13(17)10-11/h4-5,10H,3,6-9H2,1-2H3
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7.45E+4n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nisoxetine binding to rat norepinephrine transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50083524
PNG
(4-(4-Fluoro-phenyl)-1-methyl-piperidine-4-carbonit...)
Show SMILES CN1CCC(CC1)(C#N)c1ccc(F)cc1
Show InChI InChI=1S/C13H15FN2/c1-16-8-6-13(10-15,7-9-16)11-2-4-12(14)5-3-11/h2-5H,6-9H2,1H3
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1.01E+5n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine binding to rat norepinephrine transporter at 10 uM


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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3.88E+5n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to rat dopamine transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50083530
PNG
(4-(4-Iodo-phenyl)-1-methyl-piperidine-4-carboxylic...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccc(I)cc1
Show InChI InChI=1S/C15H20INO2/c1-3-19-14(18)15(8-10-17(2)11-9-15)12-4-6-13(16)7-5-12/h4-7H,3,8-11H2,1-2H3
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5.19E+5n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nisoxetine binding to rat norepinephrine transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50083532
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-4-carboxyl...)
Show SMILES CCOC(=O)C1(CCN(C)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H20ClNO2/c1-3-19-14(18)15(8-10-17(2)11-9-15)12-4-6-13(16)7-5-12/h4-7H,3,8-11H2,1-2H3
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6.01E+5n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nisoxetine binding to rat norepinephrine transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%