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Compile Data Set for Download or QSAR

Found 132 hits Enz. Inhib. hit(s) with all data for entry = 50030321   
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))
BDBM50294264
PNG
(CHEMBL562244 | rac-3-((biphenyl-2-yloxy)(piperidin...)
Show SMILES C1CC(CCN1)C(Oc1ccccc1-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C23H24N2O/c1-2-7-18(8-3-1)21-10-4-5-11-22(21)26-23(19-12-15-24-16-13-19)20-9-6-14-25-17-20/h1-11,14,17,19,23-24H,12-13,15-16H2
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50294287
PNG
(3-((2,3-dichlorophenoxy)((S)-piperidin-3-yl)methyl...)
Show SMILES Clc1cccc(OC([C@H]2CCCNC2)c2cccnc2)c1Cl |r|
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-6-1-7-15(16(14)19)22-17(12-4-2-8-20-10-12)13-5-3-9-21-11-13/h1-2,4,6-8,10,13,17,21H,3,5,9,11H2/t13-,17?/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294273
PNG
(CHEMBL562854 | rac-3-((2,3-dimethylphenoxy)(piperi...)
Show SMILES Cc1cccc(OC(C2CCNCC2)c2cccnc2)c1C
Show InChI InChI=1S/C19H24N2O/c1-14-5-3-7-18(15(14)2)22-19(16-8-11-20-12-9-16)17-6-4-10-21-13-17/h3-7,10,13,16,19-20H,8-9,11-12H2,1-2H3
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294266
PNG
(CHEMBL550696 | rac-3-((3-chlorophenoxy)(piperidin-...)
Show SMILES Clc1cccc(OC(C2CCNCC2)c2cccnc2)c1
Show InChI InChI=1S/C17H19ClN2O/c18-15-4-1-5-16(11-15)21-17(13-6-9-19-10-7-13)14-3-2-8-20-12-14/h1-5,8,11-13,17,19H,6-7,9-10H2
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294272
PNG
(CHEMBL563987 | rac-3-((2,3-difluorophenoxy)(piperi...)
Show SMILES Fc1cccc(OC(C2CCNCC2)c2cccnc2)c1F
Show InChI InChI=1S/C17H18F2N2O/c18-14-4-1-5-15(16(14)19)22-17(12-6-9-20-10-7-12)13-3-2-8-21-11-13/h1-5,8,11-12,17,20H,6-7,9-10H2
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50294287
PNG
(3-((2,3-dichlorophenoxy)((S)-piperidin-3-yl)methyl...)
Show SMILES Clc1cccc(OC([C@H]2CCCNC2)c2cccnc2)c1Cl |r|
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-6-1-7-15(16(14)19)22-17(12-4-2-8-20-10-12)13-5-3-9-21-11-13/h1-2,4,6-8,10,13,17,21H,3,5,9,11H2/t13-,17?/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294286
PNG
(3-((2,3-dichlorophenoxy)((R)-piperidin-3-yl)methyl...)
Show SMILES Clc1cccc(OC([C@@H]2CCCNC2)c2cccnc2)c1Cl |r|
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-6-1-7-15(16(14)19)22-17(12-4-2-8-20-10-12)13-5-3-9-21-11-13/h1-2,4,6-8,10,13,17,21H,3,5,9,11H2/t13-,17?/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294286
PNG
(3-((2,3-dichlorophenoxy)((R)-piperidin-3-yl)methyl...)
Show SMILES Clc1cccc(OC([C@@H]2CCCNC2)c2cccnc2)c1Cl |r|
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-6-1-7-15(16(14)19)22-17(12-4-2-8-20-10-12)13-5-3-9-21-11-13/h1-2,4,6-8,10,13,17,21H,3,5,9,11H2/t13-,17?/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294274
PNG
(CHEMBL540978 | rac-3-((2,4-dichlorophenoxy)(piperi...)
Show SMILES Clc1ccc(OC(C2CCNCC2)c2cccnc2)c(Cl)c1
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-3-4-16(15(19)10-14)22-17(12-5-8-20-9-6-12)13-2-1-7-21-11-13/h1-4,7,10-12,17,20H,5-6,8-9H2
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294268
PNG
(CHEMBL562444 | rac-3-((4-ethylphenoxy)(piperidin-4...)
Show SMILES CCc1ccc(OC(C2CCNCC2)c2cccnc2)cc1
Show InChI InChI=1S/C19H24N2O/c1-2-15-5-7-18(8-6-15)22-19(16-9-12-20-13-10-16)17-4-3-11-21-14-17/h3-8,11,14,16,19-20H,2,9-10,12-13H2,1H3
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50294286
PNG
(3-((2,3-dichlorophenoxy)((R)-piperidin-3-yl)methyl...)
Show SMILES Clc1cccc(OC([C@@H]2CCCNC2)c2cccnc2)c1Cl |r|
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-6-1-7-15(16(14)19)22-17(12-4-2-8-20-10-12)13-5-3-9-21-11-13/h1-2,4,6-8,10,13,17,21H,3,5,9,11H2/t13-,17?/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50294270
PNG
(3-((2,3-dichlorophenoxy)(piperidin-4-yl)methyl)pyr...)
Show SMILES Clc1cccc(OC(C2CCNCC2)c2cccnc2)c1Cl
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-4-1-5-15(16(14)19)22-17(12-6-9-20-10-7-12)13-3-2-8-21-11-13/h1-5,8,11-12,17,20H,6-7,9-10H2
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294279
PNG
(CHEMBL552046 | rac-2-((2,3-dichlorophenoxy)(piperi...)
Show SMILES Clc1cccc(OC(C2CCNCC2)c2ccccn2)c1Cl
Show InChI InChI=1S/C17H18Cl2N2O/c18-13-4-3-6-15(16(13)19)22-17(12-7-10-20-11-8-12)14-5-1-2-9-21-14/h1-6,9,12,17,20H,7-8,10-11H2
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50294286
PNG
(3-((2,3-dichlorophenoxy)((R)-piperidin-3-yl)methyl...)
Show SMILES Clc1cccc(OC([C@@H]2CCCNC2)c2cccnc2)c1Cl |r|
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-6-1-7-15(16(14)19)22-17(12-4-2-8-20-10-12)13-5-3-9-21-11-13/h1-2,4,6-8,10,13,17,21H,3,5,9,11H2/t13-,17?/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50294270
PNG
(3-((2,3-dichlorophenoxy)(piperidin-4-yl)methyl)pyr...)
Show SMILES Clc1cccc(OC(C2CCNCC2)c2cccnc2)c1Cl
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-4-1-5-15(16(14)19)22-17(12-6-9-20-10-7-12)13-3-2-8-21-11-13/h1-5,8,11-12,17,20H,6-7,9-10H2
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50294270
PNG
(3-((2,3-dichlorophenoxy)(piperidin-4-yl)methyl)pyr...)
Show SMILES Clc1cccc(OC(C2CCNCC2)c2cccnc2)c1Cl
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-4-1-5-15(16(14)19)22-17(12-6-9-20-10-7-12)13-3-2-8-21-11-13/h1-5,8,11-12,17,20H,6-7,9-10H2
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294267
PNG
(CHEMBL551443 | rac-3-((3-ethylphenoxy)(piperidin-4...)
Show SMILES CCc1cccc(OC(C2CCNCC2)c2cccnc2)c1
Show InChI InChI=1S/C19H24N2O/c1-2-15-5-3-7-18(13-15)22-19(16-8-11-20-12-9-16)17-6-4-10-21-14-17/h3-7,10,13-14,16,19-20H,2,8-9,11-12H2,1H3
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294270
PNG
(3-((2,3-dichlorophenoxy)(piperidin-4-yl)methyl)pyr...)
Show SMILES Clc1cccc(OC(C2CCNCC2)c2cccnc2)c1Cl
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-4-1-5-15(16(14)19)22-17(12-6-9-20-10-7-12)13-3-2-8-21-11-13/h1-5,8,11-12,17,20H,6-7,9-10H2
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294275
PNG
(CHEMBL559654 | rac-3-((2,5-dichlorophenoxy)(piperi...)
Show SMILES Clc1ccc(Cl)c(OC(C2CCNCC2)c2cccnc2)c1
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-3-4-15(19)16(10-14)22-17(12-5-8-20-9-6-12)13-2-1-7-21-11-13/h1-4,7,10-12,17,20H,5-6,8-9H2
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n/an/a 7n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294283
PNG
(CHEMBL562108 | rac-2-((2,4-dichlorophenoxy)(piperi...)
Show SMILES Clc1ccc(OC(C2CCNCC2)c2ccccn2)c(Cl)c1
Show InChI InChI=1S/C17H18Cl2N2O/c18-13-4-5-16(14(19)11-13)22-17(12-6-9-20-10-7-12)15-3-1-2-8-21-15/h1-5,8,11-12,17,20H,6-7,9-10H2
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n/an/a 7n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294285
PNG
(CHEMBL556888 | rac-4-((2,4-dichlorophenoxy)(piperi...)
Show SMILES Clc1ccc(OC(C2CCNCC2)c2ccncc2)c(Cl)c1
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-1-2-16(15(19)11-14)22-17(12-3-7-20-8-4-12)13-5-9-21-10-6-13/h1-4,7-8,11,13,17,21H,5-6,9-10H2
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n/an/a 7n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294269
PNG
(CHEMBL564631 | rac-3-((4-(methylthio)phenoxy)(pipe...)
Show SMILES CSc1ccc(OC(C2CCNCC2)c2cccnc2)cc1
Show InChI InChI=1S/C18H22N2OS/c1-22-17-6-4-16(5-7-17)21-18(14-8-11-19-12-9-14)15-3-2-10-20-13-15/h2-7,10,13-14,18-19H,8-9,11-12H2,1H3
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n/an/a 7n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294258
PNG
(CHEMBL541226 | rac-4-((2,3-dichlorophenoxy)(phenyl...)
Show SMILES Clc1cccc(OC(C2CCNCC2)c2ccccc2)c1Cl
Show InChI InChI=1S/C18H19Cl2NO/c19-15-7-4-8-16(17(15)20)22-18(13-5-2-1-3-6-13)14-9-11-21-12-10-14/h1-8,14,18,21H,9-12H2
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n/an/a 8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294284
PNG
(CHEMBL550779 | rac-4-((2,3-dichlorophenoxy)(piperi...)
Show SMILES Clc1cccc(OC(C2CCNCC2)c2ccncc2)c1Cl
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-2-1-3-15(16(14)19)22-17(12-4-8-20-9-5-12)13-6-10-21-11-7-13/h1-5,8-9,13,17,21H,6-7,10-11H2
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n/an/a 8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294281
PNG
(CHEMBL562691 | rac-2-((2,3-dichloro-4-methylphenox...)
Show SMILES Cc1ccnc(c1)C(Oc1cccc(Cl)c1Cl)C1CCNCC1
Show InChI InChI=1S/C18H20Cl2N2O/c1-12-5-10-22-15(11-12)18(13-6-8-21-9-7-13)23-16-4-2-3-14(19)17(16)20/h2-5,10-11,13,18,21H,6-9H2,1H3
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n/an/a 8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50294284
PNG
(CHEMBL550779 | rac-4-((2,3-dichlorophenoxy)(piperi...)
Show SMILES Clc1cccc(OC(C2CCNCC2)c2ccncc2)c1Cl
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-2-1-3-15(16(14)19)22-17(12-4-8-20-9-5-12)13-6-10-21-11-7-13/h1-5,8-9,13,17,21H,6-7,10-11H2
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n/an/a 8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294259
PNG
(CHEMBL564100 | rac-3-((2-chlorophenoxy)(piperidin-...)
Show SMILES Clc1ccccc1OC(C1CCNCC1)c1cccnc1
Show InChI InChI=1S/C17H19ClN2O/c18-15-5-1-2-6-16(15)21-17(13-7-10-19-11-8-13)14-4-3-9-20-12-14/h1-6,9,12-13,17,19H,7-8,10-11H2
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n/an/a 9n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50294286
PNG
(3-((2,3-dichlorophenoxy)((R)-piperidin-3-yl)methyl...)
Show SMILES Clc1cccc(OC([C@@H]2CCCNC2)c2cccnc2)c1Cl |r|
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-6-1-7-15(16(14)19)22-17(12-4-2-8-20-10-12)13-5-3-9-21-11-13/h1-2,4,6-8,10,13,17,21H,3,5,9,11H2/t13-,17?/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50294286
PNG
(3-((2,3-dichlorophenoxy)((R)-piperidin-3-yl)methyl...)
Show SMILES Clc1cccc(OC([C@@H]2CCCNC2)c2cccnc2)c1Cl |r|
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-6-1-7-15(16(14)19)22-17(12-4-2-8-20-10-12)13-5-3-9-21-11-13/h1-2,4,6-8,10,13,17,21H,3,5,9,11H2/t13-,17?/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294277
PNG
(CHEMBL560049 | rac-3-(piperidin-4-yl(2,3,5-trichlo...)
Show SMILES Clc1cc(Cl)c(Cl)c(OC(C2CCNCC2)c2cccnc2)c1
Show InChI InChI=1S/C17H17Cl3N2O/c18-13-8-14(19)16(20)15(9-13)23-17(11-3-6-21-7-4-11)12-2-1-5-22-10-12/h1-2,5,8-11,17,21H,3-4,6-7H2
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n/an/a 10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294276
PNG
(CHEMBL551646 | rac-3-((3,5-dichlorophenoxy)(piperi...)
Show SMILES Clc1cc(Cl)cc(OC(C2CCNCC2)c2cccnc2)c1
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-8-15(19)10-16(9-14)22-17(12-3-6-20-7-4-12)13-2-1-5-21-11-13/h1-2,5,8-12,17,20H,3-4,6-7H2
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294270
PNG
(3-((2,3-dichlorophenoxy)(piperidin-4-yl)methyl)pyr...)
Show SMILES Clc1cccc(OC(C2CCNCC2)c2cccnc2)c1Cl
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-4-1-5-15(16(14)19)22-17(12-6-9-20-10-7-12)13-3-2-8-21-11-13/h1-5,8,11-12,17,20H,6-7,9-10H2
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n/an/a 11n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294270
PNG
(3-((2,3-dichlorophenoxy)(piperidin-4-yl)methyl)pyr...)
Show SMILES Clc1cccc(OC(C2CCNCC2)c2cccnc2)c1Cl
Show InChI InChI=1S/C17H18Cl2N2O/c18-14-4-1-5-15(16(14)19)22-17(12-6-9-20-10-7-12)13-3-2-8-21-11-13/h1-5,8,11-12,17,20H,6-7,9-10H2
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294280
PNG
(CHEMBL560050 | rac-2-((2,3-dichlorophenoxy)(piperi...)
Show SMILES Cc1cccnc1C(Oc1cccc(Cl)c1Cl)C1CCNCC1
Show InChI InChI=1S/C18H20Cl2N2O/c1-12-4-3-9-22-17(12)18(13-7-10-21-11-8-13)23-15-6-2-5-14(19)16(15)20/h2-6,9,13,18,21H,7-8,10-11H2,1H3
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50294261
PNG
(CHEMBL549761 | rac-3-((2-ethoxyphenoxy)(piperidin-...)
Show SMILES CCOc1ccccc1OC(C1CCNCC1)c1cccnc1
Show InChI InChI=1S/C19H24N2O2/c1-2-22-17-7-3-4-8-18(17)23-19(15-9-12-20-13-10-15)16-6-5-11-21-14-16/h3-8,11,14-15,19-20H,2,9-10,12-13H2,1H3
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n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50294257
PNG
(2-((2,3-dichlorophenoxy)((S)-pyrrolidin-3-yl)methy...)
Show SMILES Clc1cccc(OC([C@H]2CCNC2)c2ccccn2)c1Cl |r|
Show InChI InChI=1S/C16H16Cl2N2O/c17-12-4-3-6-14(15(12)18)21-16(11-7-9-19-10-11)13-5-1-2-8-20-13/h1-6,8,11,16,19H,7,9-10H2/t11-,16?/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50294257
PNG
(2-((2,3-dichlorophenoxy)((S)-pyrrolidin-3-yl)methy...)
Show SMILES Clc1cccc(OC([C@H]2CCNC2)c2ccccn2)c1Cl |r|
Show InChI InChI=1S/C16H16Cl2N2O/c17-12-4-3-6-14(15(12)18)21-16(11-7-9-19-10-11)13-5-1-2-8-20-13/h1-6,8,11,16,19H,7,9-10H2/t11-,16?/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50294271
PNG
(5-((2,3-dichlorophenoxy)(piperidin-4-yl)methyl)-2-...)
Show SMILES Cc1ccc(cn1)C(Oc1cccc(Cl)c1Cl)C1CCNCC1
Show InChI InChI=1S/C18H20Cl2N2O/c1-12-5-6-14(11-22-12)18(13-7-9-21-10-8-13)23-16-4-2-3-15(19)17(16)20/h2-6,11,13,18,21H,7-10H2,1H3
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294271
PNG
(5-((2,3-dichlorophenoxy)(piperidin-4-yl)methyl)-2-...)
Show SMILES Cc1ccc(cn1)C(Oc1cccc(Cl)c1Cl)C1CCNCC1
Show InChI InChI=1S/C18H20Cl2N2O/c1-12-5-6-14(11-22-12)18(13-7-9-21-10-8-13)23-16-4-2-3-15(19)17(16)20/h2-6,11,13,18,21H,7-10H2,1H3
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294271
PNG
(5-((2,3-dichlorophenoxy)(piperidin-4-yl)methyl)-2-...)
Show SMILES Cc1ccc(cn1)C(Oc1cccc(Cl)c1Cl)C1CCNCC1
Show InChI InChI=1S/C18H20Cl2N2O/c1-12-5-6-14(11-22-12)18(13-7-9-21-10-8-13)23-16-4-2-3-15(19)17(16)20/h2-6,11,13,18,21H,7-10H2,1H3
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n/an/a 14n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50294271
PNG
(5-((2,3-dichlorophenoxy)(piperidin-4-yl)methyl)-2-...)
Show SMILES Cc1ccc(cn1)C(Oc1cccc(Cl)c1Cl)C1CCNCC1
Show InChI InChI=1S/C18H20Cl2N2O/c1-12-5-6-14(11-22-12)18(13-7-9-21-10-8-13)23-16-4-2-3-15(19)17(16)20/h2-6,11,13,18,21H,7-10H2,1H3
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n/an/a 14n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50136134
PNG
(4-[(Naphthalen-1-yloxy)-phenyl-methyl]-piperidine ...)
Show SMILES C1CC(CCN1)C(Oc1cccc2ccccc12)c1ccccc1
Show InChI InChI=1S/C22H23NO/c1-2-8-18(9-3-1)22(19-13-15-23-16-14-19)24-21-12-6-10-17-7-4-5-11-20(17)21/h1-12,19,22-23H,13-16H2
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n/an/a 15n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50294258
PNG
(CHEMBL541226 | rac-4-((2,3-dichlorophenoxy)(phenyl...)
Show SMILES Clc1cccc(OC(C2CCNCC2)c2ccccc2)c1Cl
Show InChI InChI=1S/C18H19Cl2NO/c19-15-7-4-8-16(17(15)20)22-18(13-5-2-1-3-6-13)14-9-11-21-12-10-14/h1-8,14,18,21H,9-12H2
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294271
PNG
(5-((2,3-dichlorophenoxy)(piperidin-4-yl)methyl)-2-...)
Show SMILES Cc1ccc(cn1)C(Oc1cccc(Cl)c1Cl)C1CCNCC1
Show InChI InChI=1S/C18H20Cl2N2O/c1-12-5-6-14(11-22-12)18(13-7-9-21-10-8-13)23-16-4-2-3-15(19)17(16)20/h2-6,11,13,18,21H,7-10H2,1H3
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294282
PNG
(CHEMBL556268 | rac-2-((2,3-dichloro-5-methylphenox...)
Show SMILES Cc1ccc(nc1)C(Oc1cccc(Cl)c1Cl)C1CCNCC1
Show InChI InChI=1S/C18H20Cl2N2O/c1-12-5-6-15(22-11-12)18(13-7-9-21-10-8-13)23-16-4-2-3-14(19)17(16)20/h2-6,11,13,18,21H,7-10H2,1H3
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50294271
PNG
(5-((2,3-dichlorophenoxy)(piperidin-4-yl)methyl)-2-...)
Show SMILES Cc1ccc(cn1)C(Oc1cccc(Cl)c1Cl)C1CCNCC1
Show InChI InChI=1S/C18H20Cl2N2O/c1-12-5-6-14(11-22-12)18(13-7-9-21-10-8-13)23-16-4-2-3-15(19)17(16)20/h2-6,11,13,18,21H,7-10H2,1H3
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n/an/a 17n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294256
PNG
(2-((2,3-dichlorophenoxy)((R)-pyrrolidin-3-yl)methy...)
Show SMILES Clc1cccc(OC([C@@H]2CCNC2)c2ccccn2)c1Cl |r|
Show InChI InChI=1S/C16H16Cl2N2O/c17-12-4-3-6-14(15(12)18)21-16(11-7-9-19-10-11)13-5-1-2-8-20-13/h1-6,8,11,16,19H,7,9-10H2/t11-,16?/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294256
PNG
(2-((2,3-dichlorophenoxy)((R)-pyrrolidin-3-yl)methy...)
Show SMILES Clc1cccc(OC([C@@H]2CCNC2)c2ccccn2)c1Cl |r|
Show InChI InChI=1S/C16H16Cl2N2O/c17-12-4-3-6-14(15(12)18)21-16(11-7-9-19-10-11)13-5-1-2-8-20-13/h1-6,8,11,16,19H,7,9-10H2/t11-,16?/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
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