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Compile Data Set for Download or QSAR

Found 50 hits Enz. Inhib. hit(s) with all data for entry = 50038865   
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


(Homo sapiens (Human))
BDBM50259277
PNG
((R,S/S,R)-syn-1-((4-methoxyphenyl)(methyl)amino)-3...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccc(OC)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C18H24N2O2/c1-19-13-17(21)18(14-7-5-4-6-8-14)20(2)15-9-11-16(22-3)12-10-15/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1 |r|
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
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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n/an/a 3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
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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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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n/an/a 3.40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
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 4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50259340
PNG
((1S,2R)-1-(3-fluorophenyl)-1-(methyl(phenyl)amino)...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1cccc(F)c1 |r|
Show InChI InChI=1S/C17H21FN2O/c1-19-12-16(21)17(13-7-6-8-14(18)11-13)20(2)15-9-4-3-5-10-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50259276
PNG
((R,S/S,R)-syn-1-((3-methoxyphenyl)(methyl)amino)-3...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1cccc(OC)c1)c1ccccc1 |r|
Show InChI InChI=1S/C18H24N2O2/c1-19-13-17(21)18(14-8-5-4-6-9-14)20(2)15-10-7-11-16(12-15)22-3/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50259273
PNG
((R,S/S,R)-syn-1-((3-chlorophenyl)(methyl)amino)-3-...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1cccc(Cl)c1)c1ccccc1 |r|
Show InChI InChI=1S/C17H21ClN2O/c1-19-12-16(21)17(13-7-4-3-5-8-13)20(2)15-10-6-9-14(18)11-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50005536
PNG
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
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n/an/a 22n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to human recombinant DAT expressed in CHO cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50259274
PNG
((R,S/S,R)-syn-1-((4-chlorophenyl)(methyl)amino)-3-...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccc(Cl)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C17H21ClN2O/c1-19-12-16(21)17(13-6-4-3-5-7-13)20(2)15-10-8-14(18)9-11-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50259274
PNG
((R,S/S,R)-syn-1-((4-chlorophenyl)(methyl)amino)-3-...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccc(Cl)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C17H21ClN2O/c1-19-12-16(21)17(13-6-4-3-5-7-13)20(2)15-10-8-14(18)9-11-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50259230
PNG
((R,S/S,R)-syn-1-(methyl(p-tolyl)amino)-3-(methylam...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccc(C)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C18H24N2O/c1-14-9-11-16(12-10-14)20(3)18(17(21)13-19-2)15-7-5-4-6-8-15/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50259227
PNG
((R,S/S,R)-syn-1-(methyl(phenyl)amino)-3-(methylami...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C17H22N2O/c1-18-13-16(20)17(14-9-5-3-6-10-14)19(2)15-11-7-4-8-12-15/h3-12,16-18,20H,13H2,1-2H3/t16-,17+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50259229
PNG
((R,S/S,R)-syn-1-(methyl(m-tolyl)amino)-3-(methylam...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1cccc(C)c1)c1ccccc1 |r|
Show InChI InChI=1S/C18H24N2O/c1-14-8-7-11-16(12-14)20(3)18(17(21)13-19-2)15-9-5-4-6-10-15/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50259231
PNG
((R,S/S,R)-syn-1-((4-fluorophenyl)(methyl)amino)-3-...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C17H21FN2O/c1-19-12-16(21)17(13-6-4-3-5-7-13)20(2)15-10-8-14(18)9-11-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50259343
PNG
((R,S/S,R)-syn-1-(4-methoxyphenyl)-1-(methyl(phenyl...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C18H24N2O2/c1-19-13-17(21)18(14-9-11-16(22-3)12-10-14)20(2)15-7-5-4-6-8-15/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50259273
PNG
((R,S/S,R)-syn-1-((3-chlorophenyl)(methyl)amino)-3-...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1cccc(Cl)c1)c1ccccc1 |r|
Show InChI InChI=1S/C17H21ClN2O/c1-19-12-16(21)17(13-7-4-3-5-8-13)20(2)15-10-6-9-14(18)11-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1 |r|
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50259343
PNG
((R,S/S,R)-syn-1-(4-methoxyphenyl)-1-(methyl(phenyl...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C18H24N2O2/c1-19-13-17(21)18(14-9-11-16(22-3)12-10-14)20(2)15-7-5-4-6-8-15/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50259229
PNG
((R,S/S,R)-syn-1-(methyl(m-tolyl)amino)-3-(methylam...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1cccc(C)c1)c1ccccc1 |r|
Show InChI InChI=1S/C18H24N2O/c1-14-8-7-11-16(12-14)20(3)18(17(21)13-19-2)15-9-5-4-6-10-15/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1
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n/an/a 61n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50259231
PNG
((R,S/S,R)-syn-1-((4-fluorophenyl)(methyl)amino)-3-...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C17H21FN2O/c1-19-12-16(21)17(13-6-4-3-5-7-13)20(2)15-10-8-14(18)9-11-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1
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n/an/a 62n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50259344
PNG
((R,S/S,R)-syn-3-amino-1-(methyl(phenyl)amino)-1-ph...)
Show SMILES CN([C@H]([C@H](O)CN)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C16H20N2O/c1-18(14-10-6-3-7-11-14)16(15(19)12-17)13-8-4-2-5-9-13/h2-11,15-16,19H,12,17H2,1H3/t15-,16+/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50259341
PNG
((R,S/S,R)-syn-1-(3-chlorophenyl)-1-(methyl(phenyl)...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C17H21ClN2O/c1-19-12-16(21)17(13-7-6-8-14(18)11-13)20(2)15-9-4-3-5-10-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1
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n/an/a 73n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50259230
PNG
((R,S/S,R)-syn-1-(methyl(p-tolyl)amino)-3-(methylam...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccc(C)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C18H24N2O/c1-14-9-11-16(12-10-14)20(3)18(17(21)13-19-2)15-7-5-4-6-8-15/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50259227
PNG
((R,S/S,R)-syn-1-(methyl(phenyl)amino)-3-(methylami...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C17H22N2O/c1-18-13-16(20)17(14-9-5-3-6-10-14)19(2)15-11-7-4-8-12-15/h3-12,16-18,20H,13H2,1-2H3/t16-,17+/m1/s1
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n/an/a 76n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50259277
PNG
((R,S/S,R)-syn-1-((4-methoxyphenyl)(methyl)amino)-3...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccc(OC)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C18H24N2O2/c1-19-13-17(21)18(14-7-5-4-6-8-14)20(2)15-9-11-16(22-3)12-10-15/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1
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n/an/a 99n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50259342
PNG
((R,S/S,R)-syn-1-(4-chlorophenyl)-1-(methyl(phenyl)...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C17H21ClN2O/c1-19-12-16(21)17(13-8-10-14(18)11-9-13)20(2)15-6-4-3-5-7-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50259340
PNG
((1S,2R)-1-(3-fluorophenyl)-1-(methyl(phenyl)amino)...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1cccc(F)c1 |r|
Show InChI InChI=1S/C17H21FN2O/c1-19-12-16(21)17(13-7-6-8-14(18)11-13)20(2)15-9-4-3-5-10-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1
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n/an/a 112n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50259278
PNG
((R,S/S,R)-syn-1-(methyl(naphthalen-1-yl)amino)-3-(...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1cccc2ccccc12)c1ccccc1 |r|
Show InChI InChI=1S/C21H24N2O/c1-22-15-20(24)21(17-10-4-3-5-11-17)23(2)19-14-8-12-16-9-6-7-13-18(16)19/h3-14,20-22,24H,15H2,1-2H3/t20-,21+/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50259394
PNG
((R,S/S,R)-syn-3-amino-1-(4-methoxyphenyl)-1-(methy...)
Show SMILES COc1ccc(cc1)[C@@H]([C@H](O)CN)N(C)c1ccccc1 |r|
Show InChI InChI=1S/C17H22N2O2/c1-19(14-6-4-3-5-7-14)17(16(20)12-18)13-8-10-15(21-2)11-9-13/h3-11,16-17,20H,12,18H2,1-2H3/t16-,17+/m1/s1
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n/an/a 156n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50259342
PNG
((R,S/S,R)-syn-1-(4-chlorophenyl)-1-(methyl(phenyl)...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C17H21ClN2O/c1-19-12-16(21)17(13-8-10-14(18)11-9-13)20(2)15-6-4-3-5-7-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50259394
PNG
((R,S/S,R)-syn-3-amino-1-(4-methoxyphenyl)-1-(methy...)
Show SMILES COc1ccc(cc1)[C@@H]([C@H](O)CN)N(C)c1ccccc1 |r|
Show InChI InChI=1S/C17H22N2O2/c1-19(14-6-4-3-5-7-14)17(16(20)12-18)13-8-10-15(21-2)11-9-13/h3-11,16-17,20H,12,18H2,1-2H3/t16-,17+/m1/s1
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n/an/a 183n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50259344
PNG
((R,S/S,R)-syn-3-amino-1-(methyl(phenyl)amino)-1-ph...)
Show SMILES CN([C@H]([C@H](O)CN)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C16H20N2O/c1-18(14-10-6-3-7-11-14)16(15(19)12-17)13-8-4-2-5-9-13/h2-11,15-16,19H,12,17H2,1H3/t15-,16+/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50259228
PNG
((1S,2R)-1-(methyl(o-tolyl)amino)-3-(methylamino)-1...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1C)c1ccccc1 |r|
Show InChI InChI=1S/C18H24N2O/c1-14-9-7-8-12-16(14)20(3)18(17(21)13-19-2)15-10-5-4-6-11-15/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1
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n/an/a 217n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50259341
PNG
((R,S/S,R)-syn-1-(3-chlorophenyl)-1-(methyl(phenyl)...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C17H21ClN2O/c1-19-12-16(21)17(13-7-6-8-14(18)11-13)20(2)15-9-4-3-5-10-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1
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n/an/a 237n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50259232
PNG
((R,S/S,R)-syn-1-((2-chlorophenyl)(methyl)amino)-3-...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C17H21ClN2O/c1-19-12-16(21)17(13-8-4-3-5-9-13)20(2)15-11-7-6-10-14(15)18/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
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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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50259232
PNG
((R,S/S,R)-syn-1-((2-chlorophenyl)(methyl)amino)-3-...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C17H21ClN2O/c1-19-12-16(21)17(13-8-4-3-5-9-13)20(2)15-11-7-6-10-14(15)18/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50259275
PNG
((R,S/S,R)-syn-1-((2-methoxyphenyl)(methyl)amino)-3...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1OC)c1ccccc1 |r|
Show InChI InChI=1S/C18H24N2O2/c1-19-13-16(21)18(14-9-5-4-6-10-14)20(2)15-11-7-8-12-17(15)22-3/h4-12,16,18-19,21H,13H2,1-3H3/t16-,18+/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50259276
PNG
((R,S/S,R)-syn-1-((3-methoxyphenyl)(methyl)amino)-3...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1cccc(OC)c1)c1ccccc1 |r|
Show InChI InChI=1S/C18H24N2O2/c1-19-13-17(21)18(14-8-5-4-6-9-14)20(2)15-10-7-11-16(12-15)22-3/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1
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n/an/a 400n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50259395
PNG
((R,R/S,S)-anti-1-(methyl(phenyl)amino)-3-(methylam...)
Show SMILES CNC[C@@H](O)[C@H](N(C)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C17H22N2O/c1-18-13-16(20)17(14-9-5-3-6-10-14)19(2)15-11-7-4-8-12-15/h3-12,16-18,20H,13H2,1-2H3/t16-,17-/m1/s1
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n/an/a 416n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50259393
PNG
((R,S/S,R)-syn-3-amino-1-(3-fluorophenyl)-1-(methyl...)
Show SMILES CN([C@H]([C@H](O)CN)c1cccc(F)c1)c1ccccc1 |r|
Show InChI InChI=1S/C16H19FN2O/c1-19(14-8-3-2-4-9-14)16(15(20)11-18)12-6-5-7-13(17)10-12/h2-10,15-16,20H,11,18H2,1H3/t15-,16+/m1/s1
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n/an/a 439n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50259393
PNG
((R,S/S,R)-syn-3-amino-1-(3-fluorophenyl)-1-(methyl...)
Show SMILES CN([C@H]([C@H](O)CN)c1cccc(F)c1)c1ccccc1 |r|
Show InChI InChI=1S/C16H19FN2O/c1-19(14-8-3-2-4-9-14)16(15(20)11-18)12-6-5-7-13(17)10-12/h2-10,15-16,20H,11,18H2,1H3/t15-,16+/m1/s1
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n/an/a 550n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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n/an/a 563n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50259278
PNG
((R,S/S,R)-syn-1-(methyl(naphthalen-1-yl)amino)-3-(...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1cccc2ccccc12)c1ccccc1 |r|
Show InChI InChI=1S/C21H24N2O/c1-22-15-20(24)21(17-10-4-3-5-11-17)23(2)19-14-8-12-16-9-6-7-13-18(16)19/h3-14,20-22,24H,15H2,1-2H3/t20-,21+/m1/s1
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n/an/a 836n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50259395
PNG
((R,R/S,S)-anti-1-(methyl(phenyl)amino)-3-(methylam...)
Show SMILES CNC[C@@H](O)[C@H](N(C)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C17H22N2O/c1-18-13-16(20)17(14-9-5-3-6-10-14)19(2)15-11-7-4-8-12-15/h3-12,16-18,20H,13H2,1-2H3/t16-,17-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50259275
PNG
((R,S/S,R)-syn-1-((2-methoxyphenyl)(methyl)amino)-3...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1OC)c1ccccc1 |r|
Show InChI InChI=1S/C18H24N2O2/c1-19-13-16(21)18(14-9-5-4-6-10-14)20(2)15-11-7-8-12-17(15)22-3/h4-12,16,18-19,21H,13H2,1-3H3/t16-,18+/m1/s1
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n/an/a 2.11E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50259228
PNG
((1S,2R)-1-(methyl(o-tolyl)amino)-3-(methylamino)-1...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1C)c1ccccc1 |r|
Show InChI InChI=1S/C18H24N2O/c1-14-9-7-8-12-16(14)20(3)18(17(21)13-19-2)15-10-5-4-6-11-15/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1
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n/an/a 2.61E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair