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Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for entry = 50035349   
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))
BDBM50123257
PNG
(4-Benzhydryl-pyridine | CHEMBL150045)
Show SMILES c1ccc(cc1)C(c1ccccc1)c1ccncc1
Show InChI InChI=1S/C18H15N/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-14,18H
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79n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Affinity to displace binding of [3H]WIN-35428 to dopamine transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50123256
PNG
(4-(1,2-Diphenyl-ethyl)-pyridine | CHEMBL342055)
Show SMILES C(C(c1ccccc1)c1ccncc1)c1ccccc1
Show InChI InChI=1S/C19H17N/c1-3-7-16(8-4-1)15-19(17-9-5-2-6-10-17)18-11-13-20-14-12-18/h1-14,19H,15H2
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99n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Affinity to displace binding of [3H]WIN-35428 to dopamine transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM22418
PNG
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2|
Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1
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108n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake evaluated at the dopamine transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22418
PNG
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2|
Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1
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155n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-HT uptake evaluated at the Serotonin transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50123257
PNG
(4-Benzhydryl-pyridine | CHEMBL150045)
Show SMILES c1ccc(cc1)C(c1ccccc1)c1ccncc1
Show InChI InChI=1S/C18H15N/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-14,18H
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200n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of reuptake of DA into striatal nerve endings (synaptosomes)


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50123257
PNG
(4-Benzhydryl-pyridine | CHEMBL150045)
Show SMILES c1ccc(cc1)C(c1ccccc1)c1ccncc1
Show InChI InChI=1S/C18H15N/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-14,18H
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255n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake evaluated at the dopamine transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50123256
PNG
(4-(1,2-Diphenyl-ethyl)-pyridine | CHEMBL342055)
Show SMILES C(C(c1ccccc1)c1ccncc1)c1ccccc1
Show InChI InChI=1S/C19H17N/c1-3-7-16(8-4-1)15-19(17-9-5-2-6-10-17)18-11-13-20-14-12-18/h1-14,19H,15H2
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263n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake evaluated at the dopamine transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM22418
PNG
(Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2|
Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1
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270n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Affinity to inhibit [3H]DA uptake


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50123256
PNG
(4-(1,2-Diphenyl-ethyl)-pyridine | CHEMBL342055)
Show SMILES C(C(c1ccccc1)c1ccncc1)c1ccccc1
Show InChI InChI=1S/C19H17N/c1-3-7-16(8-4-1)15-19(17-9-5-2-6-10-17)18-11-13-20-14-12-18/h1-14,19H,15H2
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393n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE uptake evaluated at the monoamine transporter (NET)


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50123262
PNG
(2-Benzhydryl-pyridine | CHEMBL347772)
Show SMILES c1ccc(cc1)C(c1ccccc1)c1ccccn1
Show InChI InChI=1S/C18H15N/c1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-14,18H
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742n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Affinity to displace binding of [3H]WIN-35428 to dopamine transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50123255
PNG
(3-Benzhydryl-pyridine | CHEMBL149246)
Show SMILES c1ccc(cc1)C(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C18H15N/c1-3-8-15(9-4-1)18(16-10-5-2-6-11-16)17-12-7-13-19-14-17/h1-14,18H
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780n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Affinity to displace binding of [3H]WIN-35428 to dopamine transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50123255
PNG
(3-Benzhydryl-pyridine | CHEMBL149246)
Show SMILES c1ccc(cc1)C(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C18H15N/c1-3-8-15(9-4-1)18(16-10-5-2-6-11-16)17-12-7-13-19-14-17/h1-14,18H
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860n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake evaluated at the dopamine transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50123256
PNG
(4-(1,2-Diphenyl-ethyl)-pyridine | CHEMBL342055)
Show SMILES C(C(c1ccccc1)c1ccncc1)c1ccccc1
Show InChI InChI=1S/C19H17N/c1-3-7-16(8-4-1)15-19(17-9-5-2-6-10-17)18-11-13-20-14-12-18/h1-14,19H,15H2
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910n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-HT uptake evaluated at the Serotonin transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50123266
PNG
(3-(5-Naphthalen-2-yl-tetrazol-1-yl)-quinoline | CH...)
Show SMILES c1ccc2cc(ccc2c1)-c1nnnn1-c1cnc2ccccc2c1
Show InChI InChI=1S/C20H13N5/c1-2-6-15-11-17(10-9-14(15)5-1)20-22-23-24-25(20)18-12-16-7-3-4-8-19(16)21-13-18/h1-13H
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of reuptake of DA into striatal nerve endings (synaptosomes)


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50123265
PNG
(CHEMBL345273 | Diphenylvinylidene-methyl-amine)
Show SMILES CN=C=C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H13N/c1-16-12-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of reuptake of DA into striatal nerve endings (synaptosomes)


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50123263
PNG
(1-Benzyl-5-chloro-2-phenyl-1H-imidazole | CHEMBL14...)
Show SMILES Clc1cnc(-c2ccccc2)n1Cc1ccccc1
Show InChI InChI=1S/C16H13ClN2/c17-15-11-18-16(14-9-5-2-6-10-14)19(15)12-13-7-3-1-4-8-13/h1-11H,12H2
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of reuptake of DA into striatal nerve endings (synaptosomes)


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50123269
PNG
(3-Chloro-5,6-diphenyl-pyridazine-4-carbonitrile | ...)
Show SMILES Clc1nnc(-c2ccccc2)c(-c2ccccc2)c1C#N
Show InChI InChI=1S/C17H10ClN3/c18-17-14(11-19)15(12-7-3-1-4-8-12)16(20-21-17)13-9-5-2-6-10-13/h1-10H
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of reuptake of DA into striatal nerve endings (synaptosomes)


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50123267
PNG
(3-(5-Phenyl-tetrazol-1-yl)-quinoline | CHEMBL14744...)
Show SMILES c1ccc(cc1)-c1nnnn1-c1cnc2ccccc2c1
Show InChI InChI=1S/C16H11N5/c1-2-6-12(7-3-1)16-18-19-20-21(16)14-10-13-8-4-5-9-15(13)17-11-14/h1-11H
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of reuptake of DA into striatal nerve endings (synaptosomes)


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50123260
PNG
(2-[(Z)-2-(2-Chloro-phenyl)-1-phenyl-vinyl]-pyridin...)
Show SMILES Clc1ccccc1\C=C(\c1ccccc1)c1ccccn1
Show InChI InChI=1S/C19H14ClN/c20-18-11-5-4-10-16(18)14-17(15-8-2-1-3-9-15)19-12-6-7-13-21-19/h1-14H/b17-14-
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of reuptake of DA into striatal nerve endings (synaptosomes)


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50123259
PNG
(CHEMBL148615 | [Bis-(4-chloro-phenyl)-vinylidene]-...)
Show SMILES CN=C=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11Cl2N/c1-18-10-15(11-2-6-13(16)7-3-11)12-4-8-14(17)9-5-12/h2-9H,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of reuptake of DA into striatal nerve endings (synaptosomes)


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50123268
PNG
(4-Dimethylamino-2,2-diphenyl-butyronitrile | CHEMB...)
Show SMILES CN(C)CCC(C#N)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H20N2/c1-20(2)14-13-18(15-19,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of reuptake of DA into striatal nerve endings (synaptosomes)


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50123262
PNG
(2-Benzhydryl-pyridine | CHEMBL347772)
Show SMILES c1ccc(cc1)C(c1ccccc1)c1ccccn1
Show InChI InChI=1S/C18H15N/c1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-14,18H
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1.07E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake evaluated at the dopamine transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50123257
PNG
(4-Benzhydryl-pyridine | CHEMBL150045)
Show SMILES c1ccc(cc1)C(c1ccccc1)c1ccncc1
Show InChI InChI=1S/C18H15N/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-14,18H
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1.16E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-HT uptake evaluated at the Serotonin transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50123264
PNG
(2,4-Dibenzyl-pyridine | CHEMBL147135)
Show SMILES C(c1ccccc1)c1ccnc(Cc2ccccc2)c1
Show InChI InChI=1S/C19H17N/c1-3-7-16(8-4-1)13-18-11-12-20-19(15-18)14-17-9-5-2-6-10-17/h1-12,15H,13-14H2
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PubMed
2.30E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of reuptake of DA into striatal nerve endings (synaptosomes)


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50123257
PNG
(4-Benzhydryl-pyridine | CHEMBL150045)
Show SMILES c1ccc(cc1)C(c1ccccc1)c1ccncc1
Show InChI InChI=1S/C18H15N/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-14,18H
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PubMed
3.46E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE uptake evaluated at the monoamine transporter (NET)


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50123262
PNG
(2-Benzhydryl-pyridine | CHEMBL347772)
Show SMILES c1ccc(cc1)C(c1ccccc1)c1ccccn1
Show InChI InChI=1S/C18H15N/c1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-14,18H
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PubMed
5.53E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE uptake evaluated at the monoamine transporter (NET)


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50123255
PNG
(3-Benzhydryl-pyridine | CHEMBL149246)
Show SMILES c1ccc(cc1)C(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C18H15N/c1-3-8-15(9-4-1)18(16-10-5-2-6-11-16)17-12-7-13-19-14-17/h1-14,18H
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7.32E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE uptake evaluated at the monoamine transporter (NET)


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50123258
PNG
(4-Anthracen-9-yl-pyridine | CHEMBL357312)
Show SMILES c1ccc2c(-c3ccncc3)c3ccccc3cc2c1
Show InChI InChI=1S/C19H13N/c1-3-7-17-15(5-1)13-16-6-2-4-8-18(16)19(17)14-9-11-20-12-10-14/h1-13H
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Affinity to displace binding of [3H]WIN-35428 to dopamine transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50123261
PNG
(3-Anthracen-9-yl-pyridine | CHEMBL149878)
Show SMILES c1ccc2c(-c3cccnc3)c3ccccc3cc2c1
Show InChI InChI=1S/C19H13N/c1-3-9-17-14(6-1)12-15-7-2-4-10-18(15)19(17)16-8-5-11-20-13-16/h1-13H
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-HT uptake evaluated at the Serotonin transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50123261
PNG
(3-Anthracen-9-yl-pyridine | CHEMBL149878)
Show SMILES c1ccc2c(-c3cccnc3)c3ccccc3cc2c1
Show InChI InChI=1S/C19H13N/c1-3-9-17-14(6-1)12-15-7-2-4-10-18(15)19(17)16-8-5-11-20-13-16/h1-13H
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Affinity to displace binding of [3H]WIN-35428 to dopamine transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50123258
PNG
(4-Anthracen-9-yl-pyridine | CHEMBL357312)
Show SMILES c1ccc2c(-c3ccncc3)c3ccccc3cc2c1
Show InChI InChI=1S/C19H13N/c1-3-7-17-15(5-1)13-16-6-2-4-8-18(16)19(17)14-9-11-20-12-10-14/h1-13H
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-HT uptake evaluated at the Serotonin transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50123254
PNG
(4-Benzyl-pyridine | CHEMBL357322)
Show SMILES C(c1ccccc1)c1ccncc1
Show InChI InChI=1S/C12H11N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-9H,10H2
PDB

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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE uptake evaluated at the monoamine transporter (NET)


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50123254
PNG
(4-Benzyl-pyridine | CHEMBL357322)
Show SMILES C(c1ccccc1)c1ccncc1
Show InChI InChI=1S/C12H11N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-9H,10H2
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake evaluated at the dopamine transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50123254
PNG
(4-Benzyl-pyridine | CHEMBL357322)
Show SMILES C(c1ccccc1)c1ccncc1
Show InChI InChI=1S/C12H11N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-9H,10H2
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake evaluated at the dopamine transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50123254
PNG
(4-Benzyl-pyridine | CHEMBL357322)
Show SMILES C(c1ccccc1)c1ccncc1
Show InChI InChI=1S/C12H11N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-9H,10H2
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-HT uptake evaluated at the Serotonin transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50123261
PNG
(3-Anthracen-9-yl-pyridine | CHEMBL149878)
Show SMILES c1ccc2c(-c3cccnc3)c3ccccc3cc2c1
Show InChI InChI=1S/C19H13N/c1-3-9-17-14(6-1)12-15-7-2-4-10-18(15)19(17)16-8-5-11-20-13-16/h1-13H
PDB

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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE uptake evaluated at the monoamine transporter (NET)


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50123258
PNG
(4-Anthracen-9-yl-pyridine | CHEMBL357312)
Show SMILES c1ccc2c(-c3ccncc3)c3ccccc3cc2c1
Show InChI InChI=1S/C19H13N/c1-3-7-17-15(5-1)13-16-6-2-4-8-18(16)19(17)14-9-11-20-12-10-14/h1-13H
PDB

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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NE uptake evaluated at the monoamine transporter (NET)


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50123261
PNG
(3-Anthracen-9-yl-pyridine | CHEMBL149878)
Show SMILES c1ccc2c(-c3cccnc3)c3ccccc3cc2c1
Show InChI InChI=1S/C19H13N/c1-3-9-17-14(6-1)12-15-7-2-4-10-18(15)19(17)16-8-5-11-20-13-16/h1-13H
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake evaluated at the dopamine transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50123258
PNG
(4-Anthracen-9-yl-pyridine | CHEMBL357312)
Show SMILES c1ccc2c(-c3ccncc3)c3ccccc3cc2c1
Show InChI InChI=1S/C19H13N/c1-3-7-17-15(5-1)13-16-6-2-4-8-18(16)19(17)14-9-11-20-12-10-14/h1-13H
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake evaluated at the dopamine transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50123255
PNG
(3-Benzhydryl-pyridine | CHEMBL149246)
Show SMILES c1ccc(cc1)C(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C18H15N/c1-3-8-15(9-4-1)18(16-10-5-2-6-11-16)17-12-7-13-19-14-17/h1-14,18H
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1.26E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-HT uptake evaluated at the Serotonin transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50123262
PNG
(2-Benzhydryl-pyridine | CHEMBL347772)
Show SMILES c1ccc(cc1)C(c1ccccc1)c1ccccn1
Show InChI InChI=1S/C18H15N/c1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-14,18H
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PubMed
3.50E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-HT uptake evaluated at the Serotonin transporter


Bioorg Med Chem Lett 13: 513-7 (2003)


BindingDB Entry DOI: 10.7270/Q2CJ8F1D
More data for this
Ligand-Target Pair