Compile Data Set for Download or QSAR
Found 27 Enz. Inhib. hit(s) with all data for entry = 50009427
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50083534(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
Affinity DataKi:  7.20nMAssay Description:Displacement of [3H]-paroxetine from serotonin transporter (SERT)More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50083536(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
Affinity DataKi:  19nMAssay Description:Displacement of [3H]-paroxetine from serotonin transporter (SERT)More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50083530(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
Affinity DataKi:  21nMAssay Description:Displacement of [3H]-paroxetine from serotonin transporter (SERT)More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50083536(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
Affinity DataKi:  125nMAssay Description:Displacement of [3H]-WIN- 35,428 from dopamine transporter (DAT)More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50083528(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
Affinity DataKi:  125nMAssay Description:Displacement of [3H]-paroxetine from serotonin transporter (SERT)More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50083532(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
Affinity DataKi:  277nMAssay Description:Displacement of [3H]-paroxetine from serotonin transporter (SERT)More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50083529(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
Affinity DataKi:  308nMAssay Description:Displacement of [3H]-paroxetine from serotonin transporter (SERT)More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50026752(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
Affinity DataKi:  412nMAssay Description:Displacement of [3H]-paroxetine from serotonin transporter (SERT)More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50083531(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
Affinity DataKi:  430nMAssay Description:Displacement of [3H]-paroxetine from serotonin transporter (SERT)More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50083526(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
Affinity DataKi:  805nMAssay Description:Displacement of [3H]-paroxetine from serotonin transporter (SERT)More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50083535(1-Methyl-4-naphthalen-1-yl-piperidine-4-carbonitri...)
Show SMILES CN1CCC(CC1)(C#N)c1cccc2ccccc12
Show InChI InChI=1S/C17H18N2/c1-19-11-9-17(13-18,10-12-19)16-8-4-6-14-5-2-3-7-15(14)16/h2-8H,9-12H2,1H3
Affinity DataKi:  1.02E+3nMAssay Description:Displacement of [3H]-paroxetine from serotonin transporter (SERT)More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50083534(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
Affinity DataKi:  1.14E+3nMAssay Description:Displacement of [3H]-WIN- 35,428 from dopamine transporter (DAT)More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50083525(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
Affinity DataKi:  1.61E+3nMAssay Description:Displacement of [3H]-paroxetine from serotonin transporter (SERT)More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50083528(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
Affinity DataKi:  2.36E+3nMAssay Description:Displacement of [3H]-WIN- 35,428 from dopamine transporter (DAT)More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50083526(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
Affinity DataKi:  2.67E+3nMAssay Description:Displacement of [3H]-WIN- 35,428 from dopamine transporter (DAT)More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50083530(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
Affinity DataKi:  3.25E+3nMAssay Description:Displacement of [3H]-WIN- 35,428 from dopamine transporter (DAT)More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50083532(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
Affinity DataKi:  4.10E+3nMAssay Description:Displacement of [3H]-WIN- 35,428 from dopamine transporter (DAT)More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50083533(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
Affinity DataKi:  5.11E+3nMAssay Description:Displacement of [3H]-paroxetine from serotonin transporter (SERT)More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50083531(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
Affinity DataKi:  8.34E+3nMAssay Description:Displacement of [3H]-WIN- 35,428 from dopamine transporter (DAT)More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50083524(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
Affinity DataKi:  1.01E+4nMAssay Description:Displacement of [3H]-paroxetine from serotonin transporter (SERT)More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50083529(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
Affinity DataKi:  1.07E+4nMAssay Description:Displacement of [3H]-WIN- 35,428 from dopamine transporter (DAT)More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50083525(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
Affinity DataKi:  1.24E+4nMAssay Description:Displacement of [3H]-WIN- 35,428 from dopamine transporter (DAT)More data for this Ligand-Target Pair
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50083527(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
Affinity DataKi:  1.37E+4nMAssay Description:Displacement of [3H]-paroxetine from serotonin transporter (SERT)More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50083535(1-Methyl-4-naphthalen-1-yl-piperidine-4-carbonitri...)
Show SMILES CN1CCC(CC1)(C#N)c1cccc2ccccc12
Show InChI InChI=1S/C17H18N2/c1-19-11-9-17(13-18,10-12-19)16-8-4-6-14-5-2-3-7-15(14)16/h2-8H,9-12H2,1H3
Affinity DataKi:  1.60E+4nMAssay Description:Displacement of [3H]-WIN- 35,428 from dopamine transporter (DAT)More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50026752(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
Affinity DataKi:  1.78E+4nMAssay Description:Displacement of [3H]-WIN- 35,428 from dopamine transporter (DAT)More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50083533(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
Affinity DataKi:  2.20E+4nMAssay Description:Displacement of [3H]-WIN- 35,428 from dopamine transporter (DAT)More data for this Ligand-Target Pair
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of New Orleans

Curated by ChEMBL
LigandPNGBDBM50083527(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
Affinity DataKi:  4.18E+4nMAssay Description:Displacement of [3H]-WIN- 35,428 from dopamine transporter (DAT)More data for this Ligand-Target Pair