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Compile Data Set for Download or QSAR

Found 207 hits from Sunovion Pharmaceuticals Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50337831
PNG
(CHEMBL1683899 | N,N-dimethyl-1-(1-(naphthalen-1-yl...)
Show SMILES CN(C)CC1(CCCCC1)c1cccc2ccccc12
Show InChI InChI=1S/C19H25N/c1-20(2)15-19(13-6-3-7-14-19)18-12-8-10-16-9-4-5-11-17(16)18/h4-5,8-12H,3,6-7,13-15H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dopamine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50337830
PNG
(CHEMBL1683875 | N-((1-(3,4-dichlorophenyl)cyclohex...)
Show SMILES CCN(C)CC1(CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H23Cl2N/c1-3-19(2)12-16(9-5-4-6-10-16)13-7-8-14(17)15(18)11-13/h7-8,11H,3-6,9-10,12H2,1-2H3
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Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dopamine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50337829
PNG
(1-(1-(3,4-dichlorophenyl)cyclohexyl)-N,N-dimethylm...)
Show SMILES CN(C)CC1(CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H21Cl2N/c1-18(2)11-15(8-4-3-5-9-15)12-6-7-13(16)14(17)10-12/h6-7,10H,3-5,8-9,11H2,1-2H3
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Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dopamine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50337823
PNG
(1-((1-(3,4-dichlorophenyl)cyclohexyl)methyl)pyrrol...)
Show SMILES Clc1ccc(cc1Cl)C1(CN2CCCC2)CCCCC1
Show InChI InChI=1S/C17H23Cl2N/c18-15-7-6-14(12-16(15)19)17(8-2-1-3-9-17)13-20-10-4-5-11-20/h6-7,12H,1-5,8-11,13H2
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Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dopamine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50337822
PNG
(4-((1-(3,4-dichlorophenyl)cyclohexyl)methyl)morpho...)
Show SMILES Clc1ccc(cc1Cl)C1(CN2CCOCC2)CCCCC1
Show InChI InChI=1S/C17H23Cl2NO/c18-15-5-4-14(12-16(15)19)17(6-2-1-3-7-17)13-20-8-10-21-11-9-20/h4-5,12H,1-3,6-11,13H2
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Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dopamine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50337832
PNG
(CHEMBL1683873 | N-((1-(3,4-dichlorophenyl)cyclohex...)
Show SMILES Clc1ccc(cc1Cl)C1(CNC2CC2)CCCCC1
Show InChI InChI=1S/C16H21Cl2N/c17-14-7-4-12(10-15(14)18)16(8-2-1-3-9-16)11-19-13-5-6-13/h4,7,10,13,19H,1-3,5-6,8-9,11H2
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Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dopamine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50337833
PNG
(CHEMBL1683902 | N,N-dimethyl-1-(1-(naphthalen-2-yl...)
Show SMILES CN(C)CC1(CCCCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H25N/c1-20(2)15-19(12-6-3-7-13-19)18-11-10-16-8-4-5-9-17(16)14-18/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dopamine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50337833
PNG
(CHEMBL1683902 | N,N-dimethyl-1-(1-(naphthalen-2-yl...)
Show SMILES CN(C)CC1(CCCCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H25N/c1-20(2)15-19(12-6-3-7-13-19)18-11-10-16-8-4-5-9-17(16)14-18/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3
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Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant serotonin transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50337834
PNG
(CHEMBL1683872 | N-((1-(3,4-dichlorophenyl)cyclohex...)
Show SMILES CCNCC1(CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H21Cl2N/c1-2-18-11-15(8-4-3-5-9-15)12-6-7-13(16)14(17)10-12/h6-7,10,18H,2-5,8-9,11H2,1H3
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Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dopamine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50337829
PNG
(1-(1-(3,4-dichlorophenyl)cyclohexyl)-N,N-dimethylm...)
Show SMILES CN(C)CC1(CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H21Cl2N/c1-18(2)11-15(8-4-3-5-9-15)12-6-7-13(16)14(17)10-12/h6-7,10H,3-5,8-9,11H2,1-2H3
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Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Norepinephrine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50337912
PNG
(CHEMBL1684056 | N-methyl-1-(1-(naphthalen-2-yl)cyc...)
Show SMILES CNC(C)C1(CCCCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H25N/c1-15(20-2)19(12-6-3-7-13-19)18-11-10-16-8-4-5-9-17(16)14-18/h4-5,8-11,14-15,20H,3,6-7,12-13H2,1-2H3
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Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at human recombinant SERT expressed in LLC-PK1 cells by liquid scintillation counting


Bioorg Med Chem Lett 21: 1434-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.019
BindingDB Entry DOI: 10.7270/Q2CV4J2P
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50337818
PNG
(CHEMBL1683876 | N-((1-(3,4-dichlorophenyl)cyclohex...)
Show SMILES CCN(CC)CC1(CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H25Cl2N/c1-3-20(4-2)13-17(10-6-5-7-11-17)14-8-9-15(18)16(19)12-14/h8-9,12H,3-7,10-11,13H2,1-2H3
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Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Norepinephrine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50337911
PNG
((+/-)-1-(1-(3,4-dichlorophenyl)cyclohexyl)-N,N-dim...)
Show SMILES CC(N(C)C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H23Cl2N/c1-12(19(2)3)16(9-5-4-6-10-16)13-7-8-14(17)15(18)11-13/h7-8,11-12H,4-6,9-10H2,1-3H3
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n/an/a 7n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human human recombinant NET expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 21: 1434-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.019
BindingDB Entry DOI: 10.7270/Q2CV4J2P
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50337833
PNG
(CHEMBL1683902 | N,N-dimethyl-1-(1-(naphthalen-2-yl...)
Show SMILES CN(C)CC1(CCCCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H25N/c1-20(2)15-19(12-6-3-7-13-19)18-11-10-16-8-4-5-9-17(16)14-18/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3
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n/an/a 7n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Norepinephrine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50337916
PNG
((+/-)-1-(1-(3,4-dichlorophenyl)cyclohexyl)-N,3-dim...)
Show SMILES CNC(CC(C)C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H27Cl2N/c1-13(2)11-17(21-3)18(9-5-4-6-10-18)14-7-8-15(19)16(20)12-14/h7-8,12-13,17,21H,4-6,9-11H2,1-3H3
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n/an/a 9n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human human recombinant DAT expressed in COS-7 cells by scintillation counting


Bioorg Med Chem Lett 21: 1434-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.019
BindingDB Entry DOI: 10.7270/Q2CV4J2P
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50337835
PNG
(1-(1-(3,4-dichlorophenyl)cyclopentyl)-N,N-dimethyl...)
Show SMILES CN(C)CC1(CCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H19Cl2N/c1-17(2)10-14(7-3-4-8-14)11-5-6-12(15)13(16)9-11/h5-6,9H,3-4,7-8,10H2,1-2H3
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Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dopamine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50337830
PNG
(CHEMBL1683875 | N-((1-(3,4-dichlorophenyl)cyclohex...)
Show SMILES CCN(C)CC1(CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H23Cl2N/c1-3-19(2)12-16(9-5-4-6-10-16)13-7-8-14(17)15(18)11-13/h7-8,11H,3-6,9-10,12H2,1-2H3
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Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Norepinephrine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50337827
PNG
((1-(thiophen-2-yl)cyclohexyl)methanamine | CHEMBL1...)
Show SMILES NCC1(CCCCC1)c1cccs1
Show InChI InChI=1S/C11H17NS/c12-9-11(6-2-1-3-7-11)10-5-4-8-13-10/h4-5,8H,1-3,6-7,9,12H2
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Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dopamine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50337827
PNG
((1-(thiophen-2-yl)cyclohexyl)methanamine | CHEMBL1...)
Show SMILES NCC1(CCCCC1)c1cccs1
Show InChI InChI=1S/C11H17NS/c12-9-11(6-2-1-3-7-11)10-5-4-8-13-10/h4-5,8H,1-3,6-7,9,12H2
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Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant serotonin transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50337836
PNG
(1-(1-(3-chloro-4-fluorophenyl)cyclohexyl)-N,N-dime...)
Show SMILES CN(C)CC1(CCCCC1)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H21ClFN/c1-18(2)11-15(8-4-3-5-9-15)12-6-7-14(17)13(16)10-12/h6-7,10H,3-5,8-9,11H2,1-2H3
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Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Norepinephrine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50337911
PNG
((+/-)-1-(1-(3,4-dichlorophenyl)cyclohexyl)-N,N-dim...)
Show SMILES CC(N(C)C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H23Cl2N/c1-12(19(2)3)16(9-5-4-6-10-16)13-7-8-14(17)15(18)11-13/h7-8,11-12H,4-6,9-10H2,1-3H3
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Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human human recombinant NET expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 21: 1434-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.019
BindingDB Entry DOI: 10.7270/Q2CV4J2P
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50337836
PNG
(1-(1-(3-chloro-4-fluorophenyl)cyclohexyl)-N,N-dime...)
Show SMILES CN(C)CC1(CCCCC1)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H21ClFN/c1-18(2)11-15(8-4-3-5-9-15)12-6-7-14(17)13(16)10-12/h6-7,10H,3-5,8-9,11H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dopamine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50337911
PNG
((+/-)-1-(1-(3,4-dichlorophenyl)cyclohexyl)-N,N-dim...)
Show SMILES CC(N(C)C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H23Cl2N/c1-12(19(2)3)16(9-5-4-6-10-16)13-7-8-14(17)15(18)11-13/h7-8,11-12H,4-6,9-10H2,1-3H3
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n/an/a 12n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at human recombinant SERT expressed in LLC-PK1 cells by liquid scintillation counting


Bioorg Med Chem Lett 21: 1434-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.019
BindingDB Entry DOI: 10.7270/Q2CV4J2P
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50337826
PNG
(1-((1-(3,4-dichlorophenyl)cyclohexyl)methyl)piperi...)
Show SMILES Clc1ccc(cc1Cl)C1(CN2CCCCC2)CCCCC1
Show InChI InChI=1S/C18H25Cl2N/c19-16-8-7-15(13-17(16)20)18(9-3-1-4-10-18)14-21-11-5-2-6-12-21/h7-8,13H,1-6,9-12,14H2
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n/an/a 12n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dopamine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50337911
PNG
((+/-)-1-(1-(3,4-dichlorophenyl)cyclohexyl)-N,N-dim...)
Show SMILES CC(N(C)C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H23Cl2N/c1-12(19(2)3)16(9-5-4-6-10-16)13-7-8-14(17)15(18)11-13/h7-8,11-12H,4-6,9-10H2,1-3H3
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n/an/a 15n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at human recombinant SERT expressed in LLC-PK1 cells by liquid scintillation counting


Bioorg Med Chem Lett 21: 1434-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.019
BindingDB Entry DOI: 10.7270/Q2CV4J2P
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50337837
PNG
(1-(1-(4-chloro-3-fluorophenyl)cyclohexyl)-N,N-dime...)
Show SMILES CN(C)CC1(CCCCC1)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C15H21ClFN/c1-18(2)11-15(8-4-3-5-9-15)12-6-7-13(16)14(17)10-12/h6-7,10H,3-5,8-9,11H2,1-2H3
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n/an/a 17n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dopamine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50337829
PNG
(1-(1-(3,4-dichlorophenyl)cyclohexyl)-N,N-dimethylm...)
Show SMILES CN(C)CC1(CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H21Cl2N/c1-18(2)11-15(8-4-3-5-9-15)12-6-7-13(16)14(17)10-12/h6-7,10H,3-5,8-9,11H2,1-2H3
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n/an/a 19n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant serotonin transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50337834
PNG
(CHEMBL1683872 | N-((1-(3,4-dichlorophenyl)cyclohex...)
Show SMILES CCNCC1(CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H21Cl2N/c1-2-18-11-15(8-4-3-5-9-15)12-6-7-13(16)14(17)10-12/h6-7,10,18H,2-5,8-9,11H2,1H3
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n/an/a 19n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Norepinephrine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50337831
PNG
(CHEMBL1683899 | N,N-dimethyl-1-(1-(naphthalen-1-yl...)
Show SMILES CN(C)CC1(CCCCC1)c1cccc2ccccc12
Show InChI InChI=1S/C19H25N/c1-20(2)15-19(13-6-3-7-14-19)18-12-8-10-16-9-4-5-11-17(16)18/h4-5,8-12H,3,6-7,13-15H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Norepinephrine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50337838
PNG
(1-(1-(3,4-dichlorophenyl)cyclohexyl)-N-methylmetha...)
Show SMILES CNCC1(CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H19Cl2N/c1-17-10-14(7-3-2-4-8-14)11-5-6-12(15)13(16)9-11/h5-6,9,17H,2-4,7-8,10H2,1H3
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n/an/a 21n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dopamine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50337913
PNG
((+/-)-N,N-dimethyl-1-(1-(naphthalen-2-yl)cyclohexy...)
Show SMILES CC(N(C)C)C1(CCCCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H27N/c1-16(21(2)3)20(13-7-4-8-14-20)19-12-11-17-9-5-6-10-18(17)15-19/h5-6,9-12,15-16H,4,7-8,13-14H2,1-3H3
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n/an/a 21n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human human recombinant NET expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 21: 1434-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.019
BindingDB Entry DOI: 10.7270/Q2CV4J2P
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50337838
PNG
(1-(1-(3,4-dichlorophenyl)cyclohexyl)-N-methylmetha...)
Show SMILES CNCC1(CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H19Cl2N/c1-17-10-14(7-3-2-4-8-14)11-5-6-12(15)13(16)9-11/h5-6,9,17H,2-4,7-8,10H2,1H3
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n/an/a 21n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human human recombinant DAT expressed in COS-7 cells by scintillation counting


Bioorg Med Chem Lett 21: 1434-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.019
BindingDB Entry DOI: 10.7270/Q2CV4J2P
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50337839
PNG
(1-(1-(3,4-dichlorophenyl)cyclobutyl)-N,N-dimethylm...)
Show SMILES CN(C)CC1(CCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H17Cl2N/c1-16(2)9-13(6-3-7-13)10-4-5-11(14)12(15)8-10/h4-5,8H,3,6-7,9H2,1-2H3
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n/an/a 22n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Norepinephrine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50337912
PNG
(CHEMBL1684056 | N-methyl-1-(1-(naphthalen-2-yl)cyc...)
Show SMILES CNC(C)C1(CCCCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H25N/c1-15(20-2)19(12-6-3-7-13-19)18-11-10-16-8-4-5-9-17(16)14-18/h4-5,8-11,14-15,20H,3,6-7,12-13H2,1-2H3
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n/an/a 23n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human human recombinant NET expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 21: 1434-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.019
BindingDB Entry DOI: 10.7270/Q2CV4J2P
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50337837
PNG
(1-(1-(4-chloro-3-fluorophenyl)cyclohexyl)-N,N-dime...)
Show SMILES CN(C)CC1(CCCCC1)c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C15H21ClFN/c1-18(2)11-15(8-4-3-5-9-15)12-6-7-13(16)14(17)10-12/h6-7,10H,3-5,8-9,11H2,1-2H3
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n/an/a 26n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Norepinephrine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50337840
PNG
(1-(1-(4-chlorophenyl)cyclohexyl)-N,N-dimethylmetha...)
Show SMILES CN(C)CC1(CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H22ClN/c1-17(2)12-15(10-4-3-5-11-15)13-6-8-14(16)9-7-13/h6-9H,3-5,10-12H2,1-2H3
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n/an/a 26n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dopamine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50337841
PNG
(CHEMBL1683896 | N,N-dimethyl-1-(1-(3-(trifluoromet...)
Show SMILES CN(C)CC1(CCCCC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C16H22F3N/c1-20(2)12-15(9-4-3-5-10-15)13-7-6-8-14(11-13)16(17,18)19/h6-8,11H,3-5,9-10,12H2,1-2H3
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n/an/a 28n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Norepinephrine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50337913
PNG
((+/-)-N,N-dimethyl-1-(1-(naphthalen-2-yl)cyclohexy...)
Show SMILES CC(N(C)C)C1(CCCCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H27N/c1-16(21(2)3)20(13-7-4-8-14-20)19-12-11-17-9-5-6-10-18(17)15-19/h5-6,9-12,15-16H,4,7-8,13-14H2,1-3H3
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n/an/a 28n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human human recombinant DAT expressed in COS-7 cells by scintillation counting


Bioorg Med Chem Lett 21: 1434-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.019
BindingDB Entry DOI: 10.7270/Q2CV4J2P
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50337914
PNG
((+/-)-1-(1-(3,4-dichlorophenyl)cyclohexyl)propan-1...)
Show SMILES CCC(N)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H21Cl2N/c1-2-14(18)15(8-4-3-5-9-15)11-6-7-12(16)13(17)10-11/h6-7,10,14H,2-5,8-9,18H2,1H3
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n/an/a 29n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human human recombinant DAT expressed in COS-7 cells by scintillation counting


Bioorg Med Chem Lett 21: 1434-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.019
BindingDB Entry DOI: 10.7270/Q2CV4J2P
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50337910
PNG
((+/-)-1-(1-(3,4-dichlorophenyl)cyclohexyl)-N-methy...)
Show SMILES CNC(C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H21Cl2N/c1-11(18-2)15(8-4-3-5-9-15)12-6-7-13(16)14(17)10-12/h6-7,10-11,18H,3-5,8-9H2,1-2H3
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n/an/a 30n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human human recombinant DAT expressed in COS-7 cells by scintillation counting


Bioorg Med Chem Lett 21: 1434-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.019
BindingDB Entry DOI: 10.7270/Q2CV4J2P
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50337836
PNG
(1-(1-(3-chloro-4-fluorophenyl)cyclohexyl)-N,N-dime...)
Show SMILES CN(C)CC1(CCCCC1)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C15H21ClFN/c1-18(2)11-15(8-4-3-5-9-15)12-6-7-14(17)13(16)10-12/h6-7,10H,3-5,8-9,11H2,1-2H3
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n/an/a 31n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant serotonin transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50337842
PNG
(1-(1-(4-fluorophenyl)cyclohexyl)-N,N-dimethylmetha...)
Show SMILES CN(C)CC1(CCCCC1)c1ccc(F)cc1
Show InChI InChI=1S/C15H22FN/c1-17(2)12-15(10-4-3-5-11-15)13-6-8-14(16)9-7-13/h6-9H,3-5,10-12H2,1-2H3
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n/an/a 33n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant serotonin transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50337843
PNG
(CHEMBL1683901 | N-methyl-1-(1-(naphthalen-2-yl)cyc...)
Show SMILES CNCC1(CCCCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H23N/c1-19-14-18(11-5-2-6-12-18)17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13,19H,2,5-6,11-12,14H2,1H3
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n/an/a 34n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at human recombinant SERT expressed in LLC-PK1 cells by liquid scintillation counting


Bioorg Med Chem Lett 21: 1434-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.019
BindingDB Entry DOI: 10.7270/Q2CV4J2P
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50337843
PNG
(CHEMBL1683901 | N-methyl-1-(1-(naphthalen-2-yl)cyc...)
Show SMILES CNCC1(CCCCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H23N/c1-19-14-18(11-5-2-6-12-18)17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13,19H,2,5-6,11-12,14H2,1H3
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n/an/a 34n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant serotonin transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50337832
PNG
(CHEMBL1683873 | N-((1-(3,4-dichlorophenyl)cyclohex...)
Show SMILES Clc1ccc(cc1Cl)C1(CNC2CC2)CCCCC1
Show InChI InChI=1S/C16H21Cl2N/c17-14-7-4-12(10-15(14)18)16(8-2-1-3-9-16)11-19-13-5-6-13/h4,7,10,13,19H,1-3,5-6,8-9,11H2
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n/an/a 36n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Norepinephrine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50337911
PNG
((+/-)-1-(1-(3,4-dichlorophenyl)cyclohexyl)-N,N-dim...)
Show SMILES CC(N(C)C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H23Cl2N/c1-12(19(2)3)16(9-5-4-6-10-16)13-7-8-14(17)15(18)11-13/h7-8,11-12H,4-6,9-10H2,1-3H3
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n/an/a 36n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at human human recombinant DAT expressed in COS-7 cells by scintillation counting


Bioorg Med Chem Lett 21: 1434-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.019
BindingDB Entry DOI: 10.7270/Q2CV4J2P
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50337910
PNG
((+/-)-1-(1-(3,4-dichlorophenyl)cyclohexyl)-N-methy...)
Show SMILES CNC(C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H21Cl2N/c1-11(18-2)15(8-4-3-5-9-15)12-6-7-13(16)14(17)10-12/h6-7,10-11,18H,3-5,8-9H2,1-2H3
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n/an/a 37n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human human recombinant NET expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 21: 1434-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.019
BindingDB Entry DOI: 10.7270/Q2CV4J2P
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50337844
PNG
(1-((1-(3,4-dichlorophenyl)cyclohexyl)methyl)-4-met...)
Show SMILES CN1CCN(CC2(CCCCC2)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C18H26Cl2N2/c1-21-9-11-22(12-10-21)14-18(7-3-2-4-8-18)15-5-6-16(19)17(20)13-15/h5-6,13H,2-4,7-12,14H2,1H3
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n/an/a 39n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Norepinephrine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50337828
PNG
(1-(1-(3-chlorophenyl)cyclohexyl)-N,N-dimethylmetha...)
Show SMILES CN(C)CC1(CCCCC1)c1cccc(Cl)c1
Show InChI InChI=1S/C15H22ClN/c1-17(2)12-15(9-4-3-5-10-15)13-7-6-8-14(16)11-13/h6-8,11H,3-5,9-10,12H2,1-2H3
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n/an/a 42n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dopamine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50337840
PNG
(1-(1-(4-chlorophenyl)cyclohexyl)-N,N-dimethylmetha...)
Show SMILES CN(C)CC1(CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H22ClN/c1-17(2)12-15(10-4-3-5-11-15)13-6-8-14(16)9-7-13/h6-9H,3-5,10-12H2,1-2H3
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Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Norepinephrine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair
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