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Compile Data Set for Download or QSAR

Found 126 hits Enz. Inhib. hit(s) with all data for entry = 50038670   
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
Transporter


(Rattus norvegicus (rat))
BDBM35226
PNG
((S,S)-reboxetine | Reboxetine | Vestra)
Show SMILES CCOc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r|
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/t18-,19-/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at NET in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50243937
PNG
((1R,5S)-1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0...)
Show SMILES Clc1ccc(cc1Cl)[C@]12C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2/t8-,11-/m1/s1
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n/an/a 8.60n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at SERT in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50243937
PNG
((1R,5S)-1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0...)
Show SMILES Clc1ccc(cc1Cl)[C@]12C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2/t8-,11-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human cloned SERT


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50243895
PNG
(1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0]hexane ...)
Show SMILES Clc1ccc(cc1Cl)C12CC1CNC2
Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2
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n/an/a 14n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human cloned SERT


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243895
PNG
(1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0]hexane ...)
Show SMILES Clc1ccc(cc1Cl)C12CC1CNC2
Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2
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n/an/a 20n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human cloned NET


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243937
PNG
((1R,5S)-1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0...)
Show SMILES Clc1ccc(cc1Cl)[C@]12C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2/t8-,11-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human cloned NET


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50243895
PNG
(1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0]hexane ...)
Show SMILES Clc1ccc(cc1Cl)C12CC1CNC2
Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2
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n/an/a 27n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at SERT in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50243939
PNG
((cis)-1-(3,4-dichlorophenyl)-6-methyl-3-aza-bicycl...)
Show SMILES C[C@@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C12H13Cl2N/c1-7-9-5-15-6-12(7,9)8-2-3-10(13)11(14)4-8/h2-4,7,9,15H,5-6H2,1H3/t7-,9-,12+/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at NET in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50244081
PNG
((1S,5S)-1-(5-fluorobenzo[b]thiophen-2-yl)-3-aza-bi...)
Show SMILES Fc1ccc2sc(cc2c1)[C@@]12C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C13H12FNS/c14-10-1-2-11-8(3-10)4-12(16-11)13-5-9(13)6-15-7-13/h1-4,9,15H,5-7H2/t9-,13-/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at SERT in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50243940
PNG
((cis)-1-(3,4-dichlorophenyl)-6-phenyl-3-aza-bicycl...)
Show SMILES Clc1ccc(cc1Cl)[C@@]12CNC[C@@H]1[C@H]2c1ccccc1 |r|
Show InChI InChI=1S/C17H15Cl2N/c18-14-7-6-12(8-15(14)19)17-10-20-9-13(17)16(17)11-4-2-1-3-5-11/h1-8,13,16,20H,9-10H2/t13-,16-,17+/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at NET in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50243942
PNG
(1-(naphthalen-2-yl)-3-aza-bicyclo[3.1.0]hexane | C...)
Show SMILES C1C2CNCC12c1ccc2ccccc2c1
Show InChI InChI=1S/C15H15N/c1-2-4-12-7-13(6-5-11(12)3-1)15-8-14(15)9-16-10-15/h1-7,14,16H,8-10H2
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n/an/a 36n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at NET in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50243986
PNG
(1-(benzofuran-2-yl)-3-aza-bicyclo[3.1.0]hexane | C...)
Show SMILES C1C2CNCC12c1cc2ccccc2o1
Show InChI InChI=1S/C13H13NO/c1-2-4-11-9(3-1)5-12(15-11)13-6-10(13)7-14-8-13/h1-5,10,14H,6-8H2
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n/an/a 48n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at NET in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50243942
PNG
(1-(naphthalen-2-yl)-3-aza-bicyclo[3.1.0]hexane | C...)
Show SMILES C1C2CNCC12c1ccc2ccccc2c1
Show InChI InChI=1S/C15H15N/c1-2-4-12-7-13(6-5-11(12)3-1)15-8-14(15)9-16-10-15/h1-7,14,16H,8-10H2
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n/an/a 50n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at SERT in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50243937
PNG
((1R,5S)-1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0...)
Show SMILES Clc1ccc(cc1Cl)[C@]12C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2/t8-,11-/m1/s1
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n/an/a 51n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at NET in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50243987
PNG
(1-(benzo[b]thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexa...)
Show SMILES C1C2CNCC12c1cc2ccccc2s1
Show InChI InChI=1S/C13H13NS/c1-2-4-11-9(3-1)5-12(15-11)13-6-10(13)7-14-8-13/h1-5,10,14H,6-8H2
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n/an/a 53n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at NET in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50243896
PNG
((1S,5R)-1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0...)
Show SMILES Clc1ccc(cc1Cl)[C@]12C[C@H]1CNC2 |r|
Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2/t8-,11+/m0/s1
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n/an/a 66n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at SERT in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50244081
PNG
((1S,5S)-1-(5-fluorobenzo[b]thiophen-2-yl)-3-aza-bi...)
Show SMILES Fc1ccc2sc(cc2c1)[C@@]12C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C13H12FNS/c14-10-1-2-11-8(3-10)4-12(16-11)13-5-9(13)6-15-7-13/h1-4,9,15H,5-7H2/t9-,13-/m1/s1
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n/an/a 67n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at NET in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50243987
PNG
(1-(benzo[b]thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexa...)
Show SMILES C1C2CNCC12c1cc2ccccc2s1
Show InChI InChI=1S/C13H13NS/c1-2-4-11-9(3-1)5-12(15-11)13-6-10(13)7-14-8-13/h1-5,10,14H,6-8H2
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n/an/a 71n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at SERT in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50243988
PNG
(1-(benzo[b]thiophen-3-yl)-3-aza-bicyclo[3.1.0]hexa...)
Show SMILES C1C2CNCC12c1csc2ccccc12
Show InChI InChI=1S/C13H13NS/c1-2-4-12-10(3-1)11(7-15-12)13-5-9(13)6-14-8-13/h1-4,7,9,14H,5-6,8H2
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n/an/a 73n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at SERT in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50244040
PNG
((1S,5S)-1-(5-chlorothiophen-2-yl)-3-aza-bicyclo[3....)
Show SMILES Clc1ccc(s1)[C@@]12C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C9H10ClNS/c10-8-2-1-7(12-8)9-3-6(9)4-11-5-9/h1-2,6,11H,3-5H2/t6-,9-/m1/s1
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n/an/a 77n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at NET in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50243895
PNG
(1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0]hexane ...)
Show SMILES Clc1ccc(cc1Cl)C12CC1CNC2
Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2
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n/an/a 78n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human cloned DAT


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50244040
PNG
((1S,5S)-1-(5-chlorothiophen-2-yl)-3-aza-bicyclo[3....)
Show SMILES Clc1ccc(s1)[C@@]12C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C9H10ClNS/c10-8-2-1-7(12-8)9-3-6(9)4-11-5-9/h1-2,6,11H,3-5H2/t6-,9-/m1/s1
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n/an/a 81n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at SERT in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50243895
PNG
(1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0]hexane ...)
Show SMILES Clc1ccc(cc1Cl)C12CC1CNC2
Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2
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n/an/a 88n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at NET in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50243991
PNG
((1S,5S)-1-(thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexa...)
Show SMILES C1[C@@H]2CNC[C@]12c1cccs1 |r|
Show InChI InChI=1S/C9H11NS/c1-2-8(11-3-1)9-4-7(9)5-10-6-9/h1-3,7,10H,4-6H2/t7-,9-/m1/s1
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n/an/a 92n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at NET in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50243937
PNG
((1R,5S)-1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0...)
Show SMILES Clc1ccc(cc1Cl)[C@]12C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2/t8-,11-/m1/s1
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n/an/a 96n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human cloned DAT


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50244048
PNG
((1S,5R)-1-(2,3-dihydro-1H-inden-5-yl)-3-aza-bicycl...)
Show SMILES C1[C@H]2CNC[C@@]12c1ccc2CCCc2c1 |r|
Show InChI InChI=1S/C14H17N/c1-2-10-4-5-12(6-11(10)3-1)14-7-13(14)8-15-9-14/h4-6,13,15H,1-3,7-9H2/t13-,14+/m0/s1
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n/an/a 97n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at SERT in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243896
PNG
((1S,5R)-1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0...)
Show SMILES Clc1ccc(cc1Cl)[C@]12C[C@H]1CNC2 |r|
Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2/t8-,11+/m0/s1
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n/an/a 103n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human cloned NET


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50243894
PNG
((cis)-1,6-diphenyl-3-aza-bicyclo[3.1.0]hexane | CH...)
Show SMILES C1NC[C@@]2([C@H]1[C@H]2c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C17H17N/c1-3-7-13(8-4-1)16-15-11-18-12-17(15,16)14-9-5-2-6-10-14/h1-10,15-16,18H,11-12H2/t15-,16-,17+/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at NET in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50243896
PNG
((1S,5R)-1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0...)
Show SMILES Clc1ccc(cc1Cl)[C@]12C[C@H]1CNC2 |r|
Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2/t8-,11+/m0/s1
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n/an/a 129n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human cloned DAT


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50244082
PNG
(1-(5-chlorothiophen-2-yl)-3-aza-bicyclo[3.1.0]hexa...)
Show SMILES Clc1ccc(s1)C12CC1CNC2
Show InChI InChI=1S/C9H10ClNS/c10-8-2-1-7(12-8)9-3-6(9)4-11-5-9/h1-2,6,11H,3-5H2
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n/an/a 130n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at NET in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50243989
PNG
(1-(thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexane | CHE...)
Show SMILES C1C2CNCC12c1cccs1
Show InChI InChI=1S/C9H11NS/c1-2-8(11-3-1)9-4-7(9)5-10-6-9/h1-3,7,10H,4-6H2
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n/an/a 130n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at NET in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50243896
PNG
((1S,5R)-1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0...)
Show SMILES Clc1ccc(cc1Cl)[C@]12C[C@H]1CNC2 |r|
Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2/t8-,11+/m0/s1
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n/an/a 133n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human cloned SERT


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50243986
PNG
(1-(benzofuran-2-yl)-3-aza-bicyclo[3.1.0]hexane | C...)
Show SMILES C1C2CNCC12c1cc2ccccc2o1
Show InChI InChI=1S/C13H13NO/c1-2-4-11-9(3-1)5-12(15-11)13-6-10(13)7-14-8-13/h1-5,10,14H,6-8H2
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n/an/a 140n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at SERT in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50244041
PNG
(1-(5-bromothiophen-2-yl)-3-aza-bicyclo[3.1.0]hexan...)
Show SMILES Brc1ccc(s1)C12CC1CNC2
Show InChI InChI=1S/C9H10BrNS/c10-8-2-1-7(12-8)9-3-6(9)4-11-5-9/h1-2,6,11H,3-5H2
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n/an/a 140n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at SERT in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50243889
PNG
((cis)-2-methyl-1-(thiophen-2-yl)-3-aza-bicyclo[3.1...)
Show SMILES C[C@H]1NC[C@@H]2C[C@]12c1cccs1 |r|
Show InChI InChI=1S/C10H13NS/c1-7-10(5-8(10)6-11-7)9-3-2-4-12-9/h2-4,7-8,11H,5-6H2,1H3/t7-,8+,10+/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at NET in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50243990
PNG
((1R,5R)-1-(thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexa...)
Show SMILES C1[C@H]2CNC[C@@]12c1cccs1 |r|
Show InChI InChI=1S/C9H11NS/c1-2-8(11-3-1)9-4-7(9)5-10-6-9/h1-3,7,10H,4-6H2/t7-,9-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at NET in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50243943
PNG
(1-Biphenyl-4-yl-3-aza-bicyclo[3.1.0]hexane | CHEMB...)
Show SMILES C1C2CNCC12c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H17N/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)17-10-16(17)11-18-12-17/h1-9,16,18H,10-12H2
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n/an/a 160n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at SERT in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50243987
PNG
(1-(benzo[b]thiophen-2-yl)-3-aza-bicyclo[3.1.0]hexa...)
Show SMILES C1C2CNCC12c1cc2ccccc2s1
Show InChI InChI=1S/C13H13NS/c1-2-4-11-9(3-1)5-12(15-11)13-6-10(13)7-14-8-13/h1-5,10,14H,6-8H2
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n/an/a 180n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at cloned DAT in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50243942
PNG
(1-(naphthalen-2-yl)-3-aza-bicyclo[3.1.0]hexane | C...)
Show SMILES C1C2CNCC12c1ccc2ccccc2c1
Show InChI InChI=1S/C15H15N/c1-2-4-12-7-13(6-5-11(12)3-1)15-8-14(15)9-16-10-15/h1-7,14,16H,8-10H2
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n/an/a 190n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at cloned DAT in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50244041
PNG
(1-(5-bromothiophen-2-yl)-3-aza-bicyclo[3.1.0]hexan...)
Show SMILES Brc1ccc(s1)C12CC1CNC2
Show InChI InChI=1S/C9H10BrNS/c10-8-2-1-7(12-8)9-3-6(9)4-11-5-9/h1-2,6,11H,3-5H2
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n/an/a 190n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at NET in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50244044
PNG
(1-(5-(trifluoromethyl)thiophen-2-yl)-3-aza-bicyclo...)
Show SMILES FC(F)(F)c1ccc(s1)C12CC1CNC2
Show InChI InChI=1S/C10H10F3NS/c11-10(12,13)8-2-1-7(15-8)9-3-6(9)4-14-5-9/h1-2,6,14H,3-5H2
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n/an/a 190n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at SERT in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50244082
PNG
(1-(5-chlorothiophen-2-yl)-3-aza-bicyclo[3.1.0]hexa...)
Show SMILES Clc1ccc(s1)C12CC1CNC2
Show InChI InChI=1S/C9H10ClNS/c10-8-2-1-7(12-8)9-3-6(9)4-11-5-9/h1-2,6,11H,3-5H2
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n/an/a 190n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at SERT in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50243939
PNG
((cis)-1-(3,4-dichlorophenyl)-6-methyl-3-aza-bicycl...)
Show SMILES C[C@@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C12H13Cl2N/c1-7-9-5-15-6-12(7,9)8-2-3-10(13)11(14)4-8/h2-4,7,9,15H,5-6H2,1H3/t7-,9-,12+/m1/s1
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n/an/a 190n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at SERT in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50243938
PNG
((trans)-1-(3,4-dichlorophenyl)-6-methyl-3-aza-bicy...)
Show SMILES C[C@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C12H13Cl2N/c1-7-9-5-15-6-12(7,9)8-2-3-10(13)11(14)4-8/h2-4,7,9,15H,5-6H2,1H3/t7-,9+,12-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at SERT in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50243988
PNG
(1-(benzo[b]thiophen-3-yl)-3-aza-bicyclo[3.1.0]hexa...)
Show SMILES C1C2CNCC12c1csc2ccccc12
Show InChI InChI=1S/C13H13NS/c1-2-4-12-10(3-1)11(7-15-12)13-5-9(13)6-14-8-13/h1-4,7,9,14H,5-6,8H2
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n/an/a 220n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at NET in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50243894
PNG
((cis)-1,6-diphenyl-3-aza-bicyclo[3.1.0]hexane | CH...)
Show SMILES C1NC[C@@]2([C@H]1[C@H]2c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C17H17N/c1-3-7-13(8-4-1)16-15-11-18-12-17(15,16)14-9-5-2-6-10-14/h1-10,15-16,18H,11-12H2/t15-,16-,17+/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at SERT in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50243937
PNG
((1R,5S)-1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0...)
Show SMILES Clc1ccc(cc1Cl)[C@]12C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2/t8-,11-/m1/s1
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n/an/a 260n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at cloned DAT in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50244046
PNG
((1S,5R)-1-(thiophen-3-yl)-3-aza-bicyclo[3.1.0]hexa...)
Show SMILES C1[C@H]2CNC[C@@]12c1ccsc1 |r|
Show InChI InChI=1S/C9H11NS/c1-2-11-5-7(1)9-3-8(9)4-10-6-9/h1-2,5,8,10H,3-4,6H2/t8-,9+/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at NET in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50243992
PNG
((trans)-4-methyl-1-(thiophen-2-yl)-3-aza-bicyclo[3...)
Show SMILES C[C@H]1NC[C@]2(C[C@@H]12)c1cccs1 |r|
Show InChI InChI=1S/C10H13NS/c1-7-8-5-10(8,6-11-7)9-3-2-4-12-9/h2-4,7-8,11H,5-6H2,1H3/t7-,8+,10+/m1/s1
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n/an/a 320n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at NET in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50243896
PNG
((1S,5R)-1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0...)
Show SMILES Clc1ccc(cc1Cl)[C@]12C[C@H]1CNC2 |r|
Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2/t8-,11+/m0/s1
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n/an/a 330n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at cloned DAT in rat brain synaptosome


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
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