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PubMed code 16236497

Compile data set for download or QSAR
Found 48 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))
BDBM50175644
PNG
(CHEMBL200044 | methyl 3-(4-(furan-2-yl)phenyl)-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccco1)N2
Show InChI InChI=1S/C19H21NO3/c1-22-19(21)18-15(11-14-8-9-16(18)20-14)12-4-6-13(7-5-12)17-3-2-10-23-17/h2-7,10,14-16,18,20H,8-9,11H2,1H3
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0.150n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50175634
PNG
(CHEMBL200698 | methyl 3-(4-(furan-3-yl)phenyl)-8-m...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccoc1)N2C
Show InChI InChI=1S/C20H23NO3/c1-21-16-7-8-18(21)19(20(22)23-2)17(11-16)14-5-3-13(4-6-14)15-9-10-24-12-15/h3-6,9-10,12,16-19H,7-8,11H2,1-2H3
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0.350n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50175646
PNG
(3-(3',5'-difluoro-biphenyl-4-yl)-8-methyl-8-aza-bi...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cc(F)cc(F)c1)N2C
Show InChI InChI=1S/C22H23F2NO2/c1-25-18-7-8-20(25)21(22(26)27-2)19(12-18)14-5-3-13(4-6-14)15-9-16(23)11-17(24)10-15/h3-6,9-11,18-21H,7-8,12H2,1-2H3
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0.410n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50175640
PNG
(3-(3'-fluoro-biphenyl-4-yl)-8-methyl-8-aza-bicyclo...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(F)c1)N2C
Show InChI InChI=1S/C22H24FNO2/c1-24-18-10-11-20(24)21(22(25)26-2)19(13-18)15-8-6-14(7-9-15)16-4-3-5-17(23)12-16/h3-9,12,18-21H,10-11,13H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50175648
PNG
(CHEMBL199704 | methyl 3-(4-(furan-2-yl)phenyl)-8-m...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccco1)N2C
Show InChI InChI=1S/C20H23NO3/c1-21-15-9-10-17(21)19(20(22)23-2)16(12-15)13-5-7-14(8-6-13)18-4-3-11-24-18/h3-8,11,15-17,19H,9-10,12H2,1-2H3
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1.13n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50175642
PNG
(CHEMBL199743 | methyl 3-(4-(5-methoxypyridin-3-yl)...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cncc(OC)c1)N2
Show InChI InChI=1S/C21H24N2O3/c1-25-17-9-15(11-22-12-17)13-3-5-14(6-4-13)18-10-16-7-8-19(23-16)20(18)21(24)26-2/h3-6,9,11-12,16,18-20,23H,7-8,10H2,1-2H3
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1.56n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50175647
PNG
(CHEMBL382943 | methyl 8-methyl-3-(4-(thiazol-2-yl)...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1nccs1)N2C
Show InChI InChI=1S/C19H22N2O2S/c1-21-14-7-8-16(21)17(19(22)23-2)15(11-14)12-3-5-13(6-4-12)18-20-9-10-24-18/h3-6,9-10,14-17H,7-8,11H2,1-2H3
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1.67n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50175643
PNG
(CHEMBL199634 | methyl 8-methyl-3-(4-(pyridin-3-yl)...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccnc1)N2C
Show InChI InChI=1S/C21H24N2O2/c1-23-17-9-10-19(23)20(21(24)25-2)18(12-17)15-7-5-14(6-8-15)16-4-3-11-22-13-16/h3-8,11,13,17-20H,9-10,12H2,1-2H3
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3.51n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50175644
PNG
(CHEMBL200044 | methyl 3-(4-(furan-2-yl)phenyl)-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccco1)N2
Show InChI InChI=1S/C19H21NO3/c1-22-19(21)18-15(11-14-8-9-16(18)20-14)12-4-6-13(7-5-12)17-3-2-10-23-17/h2-7,10,14-16,18,20H,8-9,11H2,1H3
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3.76n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR-12935 from DAT in rat rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50175639
PNG
(CHEMBL199850 | methyl 3-(4-(5-methoxypyridin-3-yl)...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cncc(OC)c1)N2C
Show InChI InChI=1S/C22H26N2O3/c1-24-17-8-9-20(24)21(22(25)27-3)19(11-17)15-6-4-14(5-7-15)16-10-18(26-2)13-23-12-16/h4-7,10,12-13,17,19-21H,8-9,11H2,1-3H3
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3.91n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50175636
PNG
(CHEMBL381418 | methyl 3-(4-(thiazol-2-yl)phenyl)-8...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1nccs1)N2
Show InChI InChI=1S/C18H20N2O2S/c1-22-18(21)16-14(10-13-6-7-15(16)20-13)11-2-4-12(5-3-11)17-19-8-9-23-17/h2-5,8-9,13-16,20H,6-7,10H2,1H3
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5.15n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50175648
PNG
(CHEMBL199704 | methyl 3-(4-(furan-2-yl)phenyl)-8-m...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccco1)N2C
Show InChI InChI=1S/C20H23NO3/c1-21-15-9-10-17(21)19(20(22)23-2)16(12-15)13-5-7-14(8-6-13)18-4-3-11-24-18/h3-8,11,15-17,19H,9-10,12H2,1-2H3
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7.14n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR-12935 from DAT in rat rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50175637
PNG
(CHEMBL383572 | methyl 8-methyl-3-(4-(pyrazin-2-yl)...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cnccn1)N2C
Show InChI InChI=1S/C20H23N3O2/c1-23-15-7-8-18(23)19(20(24)25-2)16(11-15)13-3-5-14(6-4-13)17-12-21-9-10-22-17/h3-6,9-10,12,15-16,18-19H,7-8,11H2,1-2H3
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11.3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50175644
PNG
(CHEMBL200044 | methyl 3-(4-(furan-2-yl)phenyl)-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccco1)N2
Show InChI InChI=1S/C19H21NO3/c1-22-19(21)18-15(11-14-8-9-16(18)20-14)12-4-6-13(7-5-12)17-3-2-10-23-17/h2-7,10,14-16,18,20H,8-9,11H2,1H3
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12.7n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat caudate-putamen


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50175634
PNG
(CHEMBL200698 | methyl 3-(4-(furan-3-yl)phenyl)-8-m...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccoc1)N2C
Show InChI InChI=1S/C20H23NO3/c1-21-16-7-8-18(21)19(20(22)23-2)17(11-16)14-5-3-13(4-6-14)15-9-10-24-12-15/h3-6,9-10,12,16-19H,7-8,11H2,1-2H3
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14.2n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR-12935 from DAT in rat rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50175649
PNG
(CHEMBL199512 | methyl 8-methyl-3-(4-(quinolin-3-yl...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cnc3ccccc3c1)N2C
Show InChI InChI=1S/C25H26N2O2/c1-27-20-11-12-23(27)24(25(28)29-2)21(14-20)17-9-7-16(8-10-17)19-13-18-5-3-4-6-22(18)26-15-19/h3-10,13,15,20-21,23-24H,11-12,14H2,1-2H3
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20n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50175640
PNG
(3-(3'-fluoro-biphenyl-4-yl)-8-methyl-8-aza-bicyclo...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(F)c1)N2C
Show InChI InChI=1S/C22H24FNO2/c1-24-18-10-11-20(24)21(22(25)26-2)19(13-18)15-8-6-14(7-9-15)16-4-3-5-17(23)12-16/h3-9,12,18-21H,10-11,13H2,1-2H3
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25.2n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR-12935 from DAT in rat rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50175643
PNG
(CHEMBL199634 | methyl 8-methyl-3-(4-(pyridin-3-yl)...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccnc1)N2C
Show InChI InChI=1S/C21H24N2O2/c1-23-17-9-10-19(23)20(21(24)25-2)18(12-17)15-7-5-14(6-8-15)16-4-3-11-22-13-16/h3-8,11,13,17-20H,9-10,12H2,1-2H3
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26.1n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR-12935 from DAT in rat rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50175646
PNG
(3-(3',5'-difluoro-biphenyl-4-yl)-8-methyl-8-aza-bi...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cc(F)cc(F)c1)N2C
Show InChI InChI=1S/C22H23F2NO2/c1-25-18-7-8-20(25)21(22(26)27-2)19(12-18)14-5-3-13(4-6-14)15-9-16(23)11-17(24)10-15/h3-6,9-11,18-21H,7-8,12H2,1-2H3
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31.7n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR-12935 from DAT in rat rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50175635
PNG
(CHEMBL372121 | methyl 8-methyl-3-(4-(pyrimidin-5-y...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cncnc1)N2C
Show InChI InChI=1S/C20H23N3O2/c1-23-16-7-8-18(23)19(20(24)25-2)17(9-16)14-5-3-13(4-6-14)15-10-21-12-22-11-15/h3-6,10-12,16-19H,7-9H2,1-2H3
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33.1n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50175645
PNG
(CHEMBL199407 | methyl 8-methyl-3-(4-(pyridin-2-yl)...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccccn1)N2C
Show InChI InChI=1S/C21H24N2O2/c1-23-16-10-11-19(23)20(21(24)25-2)17(13-16)14-6-8-15(9-7-14)18-5-3-4-12-22-18/h3-9,12,16-17,19-20H,10-11,13H2,1-2H3
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44n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR-12935 from DAT in rat rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50175649
PNG
(CHEMBL199512 | methyl 8-methyl-3-(4-(quinolin-3-yl...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cnc3ccccc3c1)N2C
Show InChI InChI=1S/C25H26N2O2/c1-27-20-11-12-23(27)24(25(28)29-2)21(14-20)17-9-7-16(8-10-17)19-13-18-5-3-4-6-22(18)26-15-19/h3-10,13,15,20-21,23-24H,11-12,14H2,1-2H3
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59.8n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR-12935 from DAT in rat rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50175636
PNG
(CHEMBL381418 | methyl 3-(4-(thiazol-2-yl)phenyl)-8...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1nccs1)N2
Show InChI InChI=1S/C18H20N2O2S/c1-22-18(21)16-14(10-13-6-7-15(16)20-13)11-2-4-12(5-3-11)17-19-8-9-23-17/h2-5,8-9,13-16,20H,6-7,10H2,1H3
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69.6n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR-12935 from DAT in rat rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50175646
PNG
(3-(3',5'-difluoro-biphenyl-4-yl)-8-methyl-8-aza-bi...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cc(F)cc(F)c1)N2C
Show InChI InChI=1S/C22H23F2NO2/c1-25-18-7-8-20(25)21(22(26)27-2)19(12-18)14-5-3-13(4-6-14)15-9-16(23)11-17(24)10-15/h3-6,9-11,18-21H,7-8,12H2,1-2H3
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109n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat caudate-putamen


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50175637
PNG
(CHEMBL383572 | methyl 8-methyl-3-(4-(pyrazin-2-yl)...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cnccn1)N2C
Show InChI InChI=1S/C20H23N3O2/c1-23-15-7-8-18(23)19(20(24)25-2)16(11-15)13-3-5-14(6-4-13)17-12-21-9-10-22-17/h3-6,9-10,12,15-16,18-19H,7-8,11H2,1-2H3
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121n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR-12935 from DAT in rat rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50175634
PNG
(CHEMBL200698 | methyl 3-(4-(furan-3-yl)phenyl)-8-m...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccoc1)N2C
Show InChI InChI=1S/C20H23NO3/c1-21-16-7-8-18(21)19(20(22)23-2)17(11-16)14-5-3-13(4-6-14)15-9-10-24-12-15/h3-6,9-10,12,16-19H,7-8,11H2,1-2H3
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127n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat caudate-putamen


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50175645
PNG
(CHEMBL199407 | methyl 8-methyl-3-(4-(pyridin-2-yl)...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccccn1)N2C
Show InChI InChI=1S/C21H24N2O2/c1-23-16-10-11-19(23)20(21(24)25-2)17(13-16)14-6-8-15(9-7-14)18-5-3-4-12-22-18/h3-9,12,16-17,19-20H,10-11,13H2,1-2H3
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161n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50175636
PNG
(CHEMBL381418 | methyl 3-(4-(thiazol-2-yl)phenyl)-8...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1nccs1)N2
Show InChI InChI=1S/C18H20N2O2S/c1-22-18(21)16-14(10-13-6-7-15(16)20-13)11-2-4-12(5-3-11)17-19-8-9-23-17/h2-5,8-9,13-16,20H,6-7,10H2,1H3
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213n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat caudate-putamen


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50175637
PNG
(CHEMBL383572 | methyl 8-methyl-3-(4-(pyrazin-2-yl)...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cnccn1)N2C
Show InChI InChI=1S/C20H23N3O2/c1-23-15-7-8-18(23)19(20(24)25-2)16(11-15)13-3-5-14(6-4-13)17-12-21-9-10-22-17/h3-6,9-10,12,15-16,18-19H,7-8,11H2,1-2H3
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213n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat caudate-putamen


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50175640
PNG
(3-(3'-fluoro-biphenyl-4-yl)-8-methyl-8-aza-bicyclo...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(F)c1)N2C
Show InChI InChI=1S/C22H24FNO2/c1-24-18-10-11-20(24)21(22(25)26-2)19(13-18)15-8-6-14(7-9-15)16-4-3-5-17(23)12-16/h3-9,12,18-21H,10-11,13H2,1-2H3
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249n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat caudate-putamen


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50175642
PNG
(CHEMBL199743 | methyl 3-(4-(5-methoxypyridin-3-yl)...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cncc(OC)c1)N2
Show InChI InChI=1S/C21H24N2O3/c1-25-17-9-15(11-22-12-17)13-3-5-14(6-4-13)18-10-16-7-8-19(23-16)20(18)21(24)26-2/h3-6,9,11-12,16,18-20,23H,7-8,10H2,1-2H3
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332n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR-12935 from DAT in rat rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50175635
PNG
(CHEMBL372121 | methyl 8-methyl-3-(4-(pyrimidin-5-y...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cncnc1)N2C
Show InChI InChI=1S/C20H23N3O2/c1-23-16-7-8-18(23)19(20(24)25-2)17(9-16)14-5-3-13(4-6-14)15-10-21-12-22-11-15/h3-6,10-12,16-19H,7-9H2,1-2H3
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344n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR-12935 from DAT in rat rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50175647
PNG
(CHEMBL382943 | methyl 8-methyl-3-(4-(thiazol-2-yl)...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1nccs1)N2C
Show InChI InChI=1S/C19H22N2O2S/c1-21-14-7-8-16(21)17(19(22)23-2)15(11-14)12-3-5-13(6-4-12)18-20-9-10-24-18/h3-6,9-10,14-17H,7-8,11H2,1-2H3
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520n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR-12935 from DAT in rat rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50175641
PNG
(3-(3'-dimethylamino-biphenyl-4-yl)-8-methyl-8-aza-...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(c1)N(C)C)N2C
Show InChI InChI=1S/C24H30N2O2/c1-25(2)19-7-5-6-18(14-19)16-8-10-17(11-9-16)21-15-20-12-13-22(26(20)3)23(21)24(27)28-4/h5-11,14,20-23H,12-13,15H2,1-4H3
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545n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR-12935 from DAT in rat rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50175639
PNG
(CHEMBL199850 | methyl 3-(4-(5-methoxypyridin-3-yl)...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cncc(OC)c1)N2C
Show InChI InChI=1S/C22H26N2O3/c1-24-17-8-9-20(24)21(22(25)27-3)19(11-17)15-6-4-14(5-7-15)16-10-18(26-2)13-23-12-16/h4-7,10,12-13,17,19-21H,8-9,11H2,1-3H3
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587n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR-12935 from DAT in rat rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50175642
PNG
(CHEMBL199743 | methyl 3-(4-(5-methoxypyridin-3-yl)...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cncc(OC)c1)N2
Show InChI InChI=1S/C21H24N2O3/c1-25-17-9-15(11-22-12-17)13-3-5-14(6-4-13)18-10-16-7-8-19(23-16)20(18)21(24)26-2/h3-6,9,11-12,16,18-20,23H,7-8,10H2,1-2H3
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739n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat caudate-putamen


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50175638
PNG
(CHEMBL199451 | methyl 8-methyl-3-(4-(pyridin-4-yl)...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccncc1)N2C
Show InChI InChI=1S/C21H24N2O2/c1-23-17-7-8-19(23)20(21(24)25-2)18(13-17)16-5-3-14(4-6-16)15-9-11-22-12-10-15/h3-6,9-12,17-20H,7-8,13H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50175641
PNG
(3-(3'-dimethylamino-biphenyl-4-yl)-8-methyl-8-aza-...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(c1)N(C)C)N2C
Show InChI InChI=1S/C24H30N2O2/c1-25(2)19-7-5-6-18(14-19)16-8-10-17(11-9-16)21-15-20-12-13-22(26(20)3)23(21)24(27)28-4/h5-11,14,20-23H,12-13,15H2,1-4H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50175648
PNG
(CHEMBL199704 | methyl 3-(4-(furan-2-yl)phenyl)-8-m...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccco1)N2C
Show InChI InChI=1S/C20H23NO3/c1-21-15-9-10-17(21)19(20(22)23-2)16(12-15)13-5-7-14(8-6-13)18-4-3-11-24-18/h3-8,11,15-17,19H,9-10,12H2,1-2H3
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1.40E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat caudate-putamen


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50175643
PNG
(CHEMBL199634 | methyl 8-methyl-3-(4-(pyridin-3-yl)...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccnc1)N2C
Show InChI InChI=1S/C21H24N2O2/c1-23-17-9-10-19(23)20(21(24)25-2)18(12-17)15-7-5-14(6-8-15)16-4-3-11-22-13-16/h3-8,11,13,17-20H,9-10,12H2,1-2H3
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1.41E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat caudate-putamen


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50175638
PNG
(CHEMBL199451 | methyl 8-methyl-3-(4-(pyridin-4-yl)...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccncc1)N2C
Show InChI InChI=1S/C21H24N2O2/c1-23-17-7-8-19(23)20(21(24)25-2)18(13-17)16-5-3-14(4-6-16)15-9-11-22-12-10-15/h3-6,9-12,17-20H,7-8,13H2,1-2H3
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1.57E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR-12935 from DAT in rat rat frontoparietal cerebral cortex


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50175639
PNG
(CHEMBL199850 | methyl 3-(4-(5-methoxypyridin-3-yl)...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cncc(OC)c1)N2C
Show InChI InChI=1S/C22H26N2O3/c1-24-17-8-9-20(24)21(22(25)27-3)19(11-17)15-6-4-14(5-7-15)16-10-18(26-2)13-23-12-16/h4-7,10,12-13,17,19-21H,8-9,11H2,1-3H3
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PubMed
1.60E+3n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat caudate-putamen


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50175647
PNG
(CHEMBL382943 | methyl 8-methyl-3-(4-(thiazol-2-yl)...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1nccs1)N2C
Show InChI InChI=1S/C19H22N2O2S/c1-21-14-7-8-16(21)17(19(22)23-2)15(11-14)12-3-5-13(6-4-12)18-20-9-10-24-18/h3-6,9-10,14-17H,7-8,11H2,1-2H3
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat caudate-putamen


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50175635
PNG
(CHEMBL372121 | methyl 8-methyl-3-(4-(pyrimidin-5-y...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cncnc1)N2C
Show InChI InChI=1S/C20H23N3O2/c1-23-16-7-8-18(23)19(20(24)25-2)17(9-16)14-5-3-13(4-6-14)15-10-21-12-22-11-15/h3-6,10-12,16-19H,7-9H2,1-2H3
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat caudate-putamen


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50175645
PNG
(CHEMBL199407 | methyl 8-methyl-3-(4-(pyridin-2-yl)...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccccn1)N2C
Show InChI InChI=1S/C21H24N2O2/c1-23-16-10-11-19(23)20(21(24)25-2)17(13-16)14-6-8-15(9-7-14)18-5-3-4-12-22-18/h3-9,12,16-17,19-20H,10-11,13H2,1-2H3
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat caudate-putamen


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50175638
PNG
(CHEMBL199451 | methyl 8-methyl-3-(4-(pyridin-4-yl)...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1ccncc1)N2C
Show InChI InChI=1S/C21H24N2O2/c1-23-17-7-8-19(23)20(21(24)25-2)18(13-17)16-5-3-14(4-6-16)15-9-11-22-12-10-15/h3-6,9-12,17-20H,7-8,13H2,1-2H3
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PubMed
>3.00E+4n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat caudate-putamen


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50175641
PNG
(3-(3'-dimethylamino-biphenyl-4-yl)-8-methyl-8-aza-...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccc(c1)N(C)C)N2C
Show InChI InChI=1S/C24H30N2O2/c1-25(2)19-7-5-6-18(14-19)16-8-10-17(11-9-16)21-15-20-12-13-22(26(20)3)23(21)24(27)28-4/h5-11,14,20-23H,12-13,15H2,1-4H3
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PubMed
>3.00E+4n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat caudate-putamen


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50175649
PNG
(CHEMBL199512 | methyl 8-methyl-3-(4-(quinolin-3-yl...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cnc3ccccc3c1)N2C
Show InChI InChI=1S/C25H26N2O2/c1-27-20-11-12-23(27)24(25(28)29-2)21(14-20)17-9-7-16(8-10-17)19-13-18-5-3-4-6-22(18)26-15-19/h3-10,13,15,20-21,23-24H,11-12,14H2,1-2H3
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PubMed
>3.00E+4n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat caudate-putamen


Bioorg Med Chem Lett 16: 217-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.016
BindingDB Entry DOI: 10.7270/Q2R210Z2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%