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Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with all data for entry = 50038384   
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 noradrenaline transporter


(Homo sapiens (Human))
BDBM50124566
PNG
((R)-2-((R)-(2-ethoxyphenoxy)(phenyl)methyl)morphol...)
Show SMILES CCOc1ccccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3
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5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Nisoxetine uptake in human noradrenaline transporter transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50236389
PNG
(CHEMBL273208 | N-methyl(6-methyl-4-(2-phenoxypheno...)
Show SMILES CNCc1cnc(C)cc1Oc1ccccc1Oc1ccccc1
Show InChI InChI=1S/C20H20N2O2/c1-15-12-20(16(13-21-2)14-22-15)24-19-11-7-6-10-18(19)23-17-8-4-3-5-9-17/h3-12,14,21H,13H2,1-2H3
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10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Nisoxetine uptake in human noradrenaline transporter transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50375697
PNG
(CHEMBL270791)
Show SMILES CN(C)Cc1cnc(C)cc1Oc1ccccc1Oc1ccccc1
Show InChI InChI=1S/C21H22N2O2/c1-16-13-21(17(14-22-16)15-23(2)3)25-20-12-8-7-11-19(20)24-18-9-5-4-6-10-18/h4-14H,15H2,1-3H3
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10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Nisoxetine uptake in human noradrenaline transporter transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50375698
PNG
(CHEMBL403363)
Show SMILES CC(C)c1ccccc1Oc1cc(C)ncc1CN(C)C
Show InChI InChI=1S/C18H24N2O/c1-13(2)16-8-6-7-9-17(16)21-18-10-14(3)19-11-15(18)12-20(4)5/h6-11,13H,12H2,1-5H3
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13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Nisoxetine uptake in human noradrenaline transporter transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50375715
PNG
(CHEMBL256293)
Show SMILES CCc1cc(Cl)ccc1Oc1cc(C)ncc1CN(C)C
Show InChI InChI=1S/C17H21ClN2O/c1-5-13-9-15(18)6-7-16(13)21-17-8-12(2)19-10-14(17)11-20(3)4/h6-10H,5,11H2,1-4H3
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13n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Citalopram uptake in human 5HTT transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50375708
PNG
(CHEMBL403251)
Show SMILES CCc1cc(Cl)ccc1Oc1cc(C)ncc1CNC
Show InChI InChI=1S/C16H19ClN2O/c1-4-12-8-14(17)5-6-15(12)20-16-7-11(2)19-10-13(16)9-18-3/h5-8,10,18H,4,9H2,1-3H3
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18n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Citalopram uptake in human 5HTT transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50375715
PNG
(CHEMBL256293)
Show SMILES CCc1cc(Cl)ccc1Oc1cc(C)ncc1CN(C)C
Show InChI InChI=1S/C17H21ClN2O/c1-5-13-9-15(18)6-7-16(13)21-17-8-12(2)19-10-14(17)11-20(3)4/h6-10H,5,11H2,1-4H3
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22n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Nisoxetine uptake in human noradrenaline transporter transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50375707
PNG
(CHEMBL436673)
Show SMILES CCc1ccccc1Oc1cc(C)ncc1CN(C)C
Show InChI InChI=1S/C17H22N2O/c1-5-14-8-6-7-9-16(14)20-17-10-13(2)18-11-15(17)12-19(3)4/h6-11H,5,12H2,1-4H3
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27n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Nisoxetine uptake in human noradrenaline transporter transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50375711
PNG
(CHEMBL405017)
Show SMILES CSc1ccccc1Oc1cc(C)ncc1CN(C)C
Show InChI InChI=1S/C16H20N2OS/c1-12-9-15(13(10-17-12)11-18(2)3)19-14-7-5-6-8-16(14)20-4/h5-10H,11H2,1-4H3
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58n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Nisoxetine uptake in human noradrenaline transporter transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50375708
PNG
(CHEMBL403251)
Show SMILES CCc1cc(Cl)ccc1Oc1cc(C)ncc1CNC
Show InChI InChI=1S/C16H19ClN2O/c1-4-12-8-14(17)5-6-15(12)20-16-7-11(2)19-10-13(16)9-18-3/h5-8,10,18H,4,9H2,1-3H3
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74n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Nisoxetine uptake in human noradrenaline transporter transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50375710
PNG
(CHEMBL401651)
Show SMILES CNCc1cnc(C)cc1Oc1ccccc1C(C)C
Show InChI InChI=1S/C17H22N2O/c1-12(2)15-7-5-6-8-16(15)20-17-9-13(3)19-11-14(17)10-18-4/h5-9,11-12,18H,10H2,1-4H3
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82n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Nisoxetine uptake in human noradrenaline transporter transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50375699
PNG
(CHEMBL440584)
Show SMILES CNCc1cnc(C)cc1Oc1ccccc1Cl
Show InChI InChI=1S/C14H15ClN2O/c1-10-7-14(11(8-16-2)9-17-10)18-13-6-4-3-5-12(13)15/h3-7,9,16H,8H2,1-2H3
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88n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Citalopram uptake in human 5HTT transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50375704
PNG
(CHEMBL401550)
Show SMILES CN(C)Cc1cnc(C)cc1Oc1ccccc1Cl
Show InChI InChI=1S/C15H17ClN2O/c1-11-8-15(12(9-17-11)10-18(2)3)19-14-7-5-4-6-13(14)16/h4-9H,10H2,1-3H3
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131n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Nisoxetine uptake in human noradrenaline transporter transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50375705
PNG
(CHEMBL403956)
Show SMILES CNCc1cnc(C)cc1Oc1ccccc1SC
Show InChI InChI=1S/C15H18N2OS/c1-11-8-14(12(9-16-2)10-17-11)18-13-6-4-5-7-15(13)19-3/h4-8,10,16H,9H2,1-3H3
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133n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Citalopram uptake in human 5HTT transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50375712
PNG
(CHEMBL270366)
Show SMILES CNCc1cnc(C)cc1Oc1ccccc1C
Show InChI InChI=1S/C15H18N2O/c1-11-6-4-5-7-14(11)18-15-8-12(2)17-10-13(15)9-16-3/h4-8,10,16H,9H2,1-3H3
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136n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Citalopram uptake in human 5HTT transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50375703
PNG
(CHEMBL258291)
Show SMILES CCCc1ccccc1Oc1cc(C)ncc1CN(C)C
Show InChI InChI=1S/C18H24N2O/c1-5-8-15-9-6-7-10-17(15)21-18-11-14(2)19-12-16(18)13-20(3)4/h6-7,9-12H,5,8,13H2,1-4H3
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159n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Nisoxetine uptake in human noradrenaline transporter transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50375713
PNG
(CHEMBL429759)
Show SMILES CCOc1ccccc1Oc1cc(C)ncc1CN(C)C
Show InChI InChI=1S/C17H22N2O2/c1-5-20-15-8-6-7-9-16(15)21-17-10-13(2)18-11-14(17)12-19(3)4/h6-11H,5,12H2,1-4H3
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179n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Nisoxetine uptake in human noradrenaline transporter transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50375700
PNG
(CHEMBL404885)
Show SMILES CN(C)Cc1cnc(C)cc1Oc1ccccc1C
Show InChI InChI=1S/C16H20N2O/c1-12-7-5-6-8-15(12)19-16-9-13(2)17-10-14(16)11-18(3)4/h5-10H,11H2,1-4H3
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194n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Nisoxetine uptake in human noradrenaline transporter transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50375706
PNG
(CHEMBL408329)
Show SMILES CCOc1ccccc1Oc1cc(C)ncc1CNC
Show InChI InChI=1S/C16H20N2O2/c1-4-19-14-7-5-6-8-15(14)20-16-9-12(2)18-11-13(16)10-17-3/h5-9,11,17H,4,10H2,1-3H3
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218n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Citalopram uptake in human 5HTT transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50375705
PNG
(CHEMBL403956)
Show SMILES CNCc1cnc(C)cc1Oc1ccccc1SC
Show InChI InChI=1S/C15H18N2OS/c1-11-8-14(12(9-16-2)10-17-11)18-13-6-4-5-7-15(13)19-3/h4-8,10,16H,9H2,1-3H3
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232n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Nisoxetine uptake in human noradrenaline transporter transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50375700
PNG
(CHEMBL404885)
Show SMILES CN(C)Cc1cnc(C)cc1Oc1ccccc1C
Show InChI InChI=1S/C16H20N2O/c1-12-7-5-6-8-15(12)19-16-9-13(2)17-10-14(16)11-18(3)4/h5-10H,11H2,1-4H3
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235n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Citalopram uptake in human 5HTT transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50375704
PNG
(CHEMBL401550)
Show SMILES CN(C)Cc1cnc(C)cc1Oc1ccccc1Cl
Show InChI InChI=1S/C15H17ClN2O/c1-11-8-15(12(9-17-11)10-18(2)3)19-14-7-5-4-6-13(14)16/h4-9H,10H2,1-3H3
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242n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Citalopram uptake in human 5HTT transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50375699
PNG
(CHEMBL440584)
Show SMILES CNCc1cnc(C)cc1Oc1ccccc1Cl
Show InChI InChI=1S/C14H15ClN2O/c1-10-7-14(11(8-16-2)9-17-10)18-13-6-4-3-5-12(13)15/h3-7,9,16H,8H2,1-2H3
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255n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Nisoxetine uptake in human noradrenaline transporter transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50375714
PNG
(CHEMBL262357)
Show SMILES CNCc1cnc(C)cc1Oc1ccccc1OC
Show InChI InChI=1S/C15H18N2O2/c1-11-8-15(12(9-16-2)10-17-11)19-14-7-5-4-6-13(14)18-3/h4-8,10,16H,9H2,1-3H3
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265n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Citalopram uptake in human 5HTT transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50375707
PNG
(CHEMBL436673)
Show SMILES CCc1ccccc1Oc1cc(C)ncc1CN(C)C
Show InChI InChI=1S/C17H22N2O/c1-5-14-8-6-7-9-16(14)20-17-10-13(2)18-11-15(17)12-19(3)4/h6-11H,5,12H2,1-4H3
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279n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Citalopram uptake in human 5HTT transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50375701
PNG
(CHEMBL265951)
Show SMILES COc1ccccc1Oc1cc(C)ncc1CN(C)C
Show InChI InChI=1S/C16H20N2O2/c1-12-9-16(13(10-17-12)11-18(2)3)20-15-8-6-5-7-14(15)19-4/h5-10H,11H2,1-4H3
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296n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Nisoxetine uptake in human noradrenaline transporter transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50375702
PNG
(CHEMBL261465)
Show SMILES CCc1ccccc1Oc1cc(C)ncc1CNC
Show InChI InChI=1S/C16H20N2O/c1-4-13-7-5-6-8-15(13)19-16-9-12(2)18-11-14(16)10-17-3/h5-9,11,17H,4,10H2,1-3H3
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366n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Nisoxetine uptake in human noradrenaline transporter transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50375711
PNG
(CHEMBL405017)
Show SMILES CSc1ccccc1Oc1cc(C)ncc1CN(C)C
Show InChI InChI=1S/C16H20N2OS/c1-12-9-15(13(10-17-12)11-18(2)3)19-14-7-5-6-8-16(14)20-4/h5-10H,11H2,1-4H3
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384n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Citalopram uptake in human 5HTT transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50375709
PNG
(CHEMBL258292)
Show SMILES CCCc1ccccc1Oc1cc(C)ncc1CNC
Show InChI InChI=1S/C17H22N2O/c1-4-7-14-8-5-6-9-16(14)20-17-10-13(2)19-12-15(17)11-18-3/h5-6,8-10,12,18H,4,7,11H2,1-3H3
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438n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Nisoxetine uptake in human noradrenaline transporter transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50375702
PNG
(CHEMBL261465)
Show SMILES CCc1ccccc1Oc1cc(C)ncc1CNC
Show InChI InChI=1S/C16H20N2O/c1-4-13-7-5-6-8-15(13)19-16-9-12(2)18-11-14(16)10-17-3/h5-9,11,17H,4,10H2,1-3H3
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440n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Citalopram uptake in human 5HTT transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50375706
PNG
(CHEMBL408329)
Show SMILES CCOc1ccccc1Oc1cc(C)ncc1CNC
Show InChI InChI=1S/C16H20N2O2/c1-4-19-14-7-5-6-8-15(14)20-16-9-12(2)18-11-13(16)10-17-3/h5-9,11,17H,4,10H2,1-3H3
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461n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Nisoxetine uptake in human noradrenaline transporter transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50375709
PNG
(CHEMBL258292)
Show SMILES CCCc1ccccc1Oc1cc(C)ncc1CNC
Show InChI InChI=1S/C17H22N2O/c1-4-7-14-8-5-6-9-16(14)20-17-10-13(2)19-12-15(17)11-18-3/h5-6,8-10,12,18H,4,7,11H2,1-3H3
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821n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Citalopram uptake in human 5HTT transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50236389
PNG
(CHEMBL273208 | N-methyl(6-methyl-4-(2-phenoxypheno...)
Show SMILES CNCc1cnc(C)cc1Oc1ccccc1Oc1ccccc1
Show InChI InChI=1S/C20H20N2O2/c1-15-12-20(16(13-21-2)14-22-15)24-19-11-7-6-10-18(19)23-17-8-4-3-5-9-17/h3-12,14,21H,13H2,1-2H3
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823n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Citalopram uptake in human 5HTT transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50375699
PNG
(CHEMBL440584)
Show SMILES CNCc1cnc(C)cc1Oc1ccccc1Cl
Show InChI InChI=1S/C14H15ClN2O/c1-10-7-14(11(8-16-2)9-17-10)18-13-6-4-3-5-12(13)15/h3-7,9,16H,8H2,1-2H3
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834n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 uptake in human DAT transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50375714
PNG
(CHEMBL262357)
Show SMILES CNCc1cnc(C)cc1Oc1ccccc1OC
Show InChI InChI=1S/C15H18N2O2/c1-11-8-15(12(9-16-2)10-17-11)19-14-7-5-4-6-13(14)18-3/h4-8,10,16H,9H2,1-3H3
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921n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Nisoxetine uptake in human noradrenaline transporter transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50375712
PNG
(CHEMBL270366)
Show SMILES CNCc1cnc(C)cc1Oc1ccccc1C
Show InChI InChI=1S/C15H18N2O/c1-11-6-4-5-7-14(11)18-15-8-12(2)17-10-13(15)9-16-3/h4-8,10,16H,9H2,1-3H3
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951n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Nisoxetine uptake in human noradrenaline transporter transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50375704
PNG
(CHEMBL401550)
Show SMILES CN(C)Cc1cnc(C)cc1Oc1ccccc1Cl
Show InChI InChI=1S/C15H17ClN2O/c1-11-8-15(12(9-17-11)10-18(2)3)19-14-7-5-4-6-13(14)16/h4-9H,10H2,1-3H3
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1.16E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 uptake in human DAT transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50124566
PNG
((R)-2-((R)-(2-ethoxyphenoxy)(phenyl)methyl)morphol...)
Show SMILES CCOc1ccccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3
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1.40E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Citalopram uptake in human 5HTT transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50375700
PNG
(CHEMBL404885)
Show SMILES CN(C)Cc1cnc(C)cc1Oc1ccccc1C
Show InChI InChI=1S/C16H20N2O/c1-12-7-5-6-8-15(12)19-16-9-13(2)17-10-14(16)11-18(3)4/h5-10H,11H2,1-4H3
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1.41E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 uptake in human DAT transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50375701
PNG
(CHEMBL265951)
Show SMILES COc1ccccc1Oc1cc(C)ncc1CN(C)C
Show InChI InChI=1S/C16H20N2O2/c1-12-9-16(13(10-17-12)11-18(2)3)20-15-8-6-5-7-14(15)19-4/h5-10H,11H2,1-4H3
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1.42E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Citalopram uptake in human 5HTT transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50375698
PNG
(CHEMBL403363)
Show SMILES CC(C)c1ccccc1Oc1cc(C)ncc1CN(C)C
Show InChI InChI=1S/C18H24N2O/c1-13(2)16-8-6-7-9-17(16)21-18-10-14(3)19-11-15(18)12-20(4)5/h6-11,13H,12H2,1-5H3
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1.47E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Citalopram uptake in human 5HTT transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50375712
PNG
(CHEMBL270366)
Show SMILES CNCc1cnc(C)cc1Oc1ccccc1C
Show InChI InChI=1S/C15H18N2O/c1-11-6-4-5-7-14(11)18-15-8-12(2)17-10-13(15)9-16-3/h4-8,10,16H,9H2,1-3H3
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1.52E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 uptake in human DAT transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50375705
PNG
(CHEMBL403956)
Show SMILES CNCc1cnc(C)cc1Oc1ccccc1SC
Show InChI InChI=1S/C15H18N2OS/c1-11-8-14(12(9-16-2)10-17-11)18-13-6-4-5-7-15(13)19-3/h4-8,10,16H,9H2,1-3H3
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1.75E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 uptake in human DAT transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50236389
PNG
(CHEMBL273208 | N-methyl(6-methyl-4-(2-phenoxypheno...)
Show SMILES CNCc1cnc(C)cc1Oc1ccccc1Oc1ccccc1
Show InChI InChI=1S/C20H20N2O2/c1-15-12-20(16(13-21-2)14-22-15)24-19-11-7-6-10-18(19)23-17-8-4-3-5-9-17/h3-12,14,21H,13H2,1-2H3
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1.91E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 uptake in human DAT transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50375711
PNG
(CHEMBL405017)
Show SMILES CSc1ccccc1Oc1cc(C)ncc1CN(C)C
Show InChI InChI=1S/C16H20N2OS/c1-12-9-15(13(10-17-12)11-18(2)3)19-14-7-5-6-8-16(14)20-4/h5-10H,11H2,1-4H3
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1.93E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 uptake in human DAT transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50375709
PNG
(CHEMBL258292)
Show SMILES CCCc1ccccc1Oc1cc(C)ncc1CNC
Show InChI InChI=1S/C17H22N2O/c1-4-7-14-8-5-6-9-16(14)20-17-10-13(2)19-12-15(17)11-18-3/h5-6,8-10,12,18H,4,7,11H2,1-3H3
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PubMed
1.98E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 uptake in human DAT transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50375710
PNG
(CHEMBL401651)
Show SMILES CNCc1cnc(C)cc1Oc1ccccc1C(C)C
Show InChI InChI=1S/C17H22N2O/c1-12(2)15-7-5-6-8-16(15)20-17-9-13(3)19-11-14(17)10-18-4/h5-9,11-12,18H,10H2,1-4H3
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1.98E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]Citalopram uptake in human 5HTT transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50375710
PNG
(CHEMBL401651)
Show SMILES CNCc1cnc(C)cc1Oc1ccccc1C(C)C
Show InChI InChI=1S/C17H22N2O/c1-12(2)15-7-5-6-8-16(15)20-17-9-13(3)19-11-14(17)10-18-4/h5-9,11-12,18H,10H2,1-4H3
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2.13E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 uptake in human DAT transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50375713
PNG
(CHEMBL429759)
Show SMILES CCOc1ccccc1Oc1cc(C)ncc1CN(C)C
Show InChI InChI=1S/C17H22N2O2/c1-5-20-15-8-6-7-9-16(15)21-17-10-13(2)18-11-14(17)12-19(3)4/h6-11H,5,12H2,1-4H3
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2.15E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 uptake in human DAT transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50375703
PNG
(CHEMBL258291)
Show SMILES CCCc1ccccc1Oc1cc(C)ncc1CN(C)C
Show InChI InChI=1S/C18H24N2O/c1-5-8-15-9-6-7-10-17(15)21-18-11-14(2)19-12-16(18)13-20(3)4/h6-7,9-12H,5,8,13H2,1-4H3
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Article
PubMed
2.25E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 uptake in human DAT transfected HEK293 cells


Bioorg Med Chem Lett 18: 1795-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.036
BindingDB Entry DOI: 10.7270/Q2125TH5
More data for this
Ligand-Target Pair
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