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Compile Data Set for Download or QSAR

Found 73 hits of ic50 data for polymerid = 2271   
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
Transporter


(Rattus norvegicus (rat))
BDBM50176062
PNG
(3-(5H-dibenzo[a,d][7]annulen-5-yl)-N-methylpropan-...)
Show SMILES CNCCCC1c2ccccc2C=Cc2ccccc12 |c:13|
Show InChI InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3
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n/an/a 1.10n/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
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
Transporter


(Rattus norvegicus (rat))
BDBM50275774
PNG
(CHEMBL512851 | N,N-Diallyl (1R,2R)-2-(Aminomethyl)...)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC=C)c1cccs1 |r|
Show InChI InChI=1S/C15H20N2OS/c1-3-7-17(8-4-2)14(18)15(10-12(15)11-16)13-6-5-9-19-13/h3-6,9,12H,1-2,7-8,10-11,16H2/t12-,15-/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of Levo[ring-2,5,6-3H]norepinephrine from rat synaptosomal NET expressed in HEK293 cells by microplate scintillation counter


J Med Chem 51: 7265-72 (2009)


Article DOI: 10.1021/jm8009537
BindingDB Entry DOI: 10.7270/Q2H41SCG
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50239791
PNG
((1S,2R)-N-allyl-2-(aminomethyl)-N-ethyl-1-(thiophe...)
Show SMILES CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1 |r|
Show InChI InChI=1S/C14H20N2OS/c1-3-6-16(4-2)13(17)14(8-12(14)9-15)11-5-7-18-10-11/h3,5,7,10,12H,1,4,6,8-9,15H2,2H3/t12-,14+/m0/s1
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n/an/a 6.40n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of Levo[ring-2,5,6-3H]norepinephrine from rat synaptosomal NET expressed in HEK293 cells by microplate scintillation counter


J Med Chem 51: 7265-72 (2009)


Article DOI: 10.1021/jm8009537
BindingDB Entry DOI: 10.7270/Q2H41SCG
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50009717
PNG
(CHEMBL436281)
Show SMILES C1CC2(CCN1)OC(c1ccccc21)c1ccccc1
Show InChI InChI=1S/C18H19NO/c1-2-6-14(7-3-1)17-15-8-4-5-9-16(15)18(20-17)10-12-19-13-11-18/h1-9,17,19H,10-13H2
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of NET-mediated norepinephrine uptake in rat brain synaptosomes


J Med Chem 22: 1347-54 (1980)


BindingDB Entry DOI: 10.7270/Q20K2B3Q
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50275831
PNG
(2-[(1R,2R)-2-(Aminomethyl)-1-(2-thienyl)cyclopropa...)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)N1Cc2ccccc2C1)c1cccs1 |r|
Show InChI InChI=1S/C17H18N2OS/c18-9-14-8-17(14,15-6-3-7-21-15)16(20)19-10-12-4-1-2-5-13(12)11-19/h1-7,14H,8-11,18H2/t14-,17-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of Levo[ring-2,5,6-3H]norepinephrine from rat synaptosomal NET expressed in HEK293 cells by microplate scintillation counter


J Med Chem 51: 7265-72 (2009)


Article DOI: 10.1021/jm8009537
BindingDB Entry DOI: 10.7270/Q2H41SCG
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50275771
PNG
(1S,2R-milnacipran | CHEMBL471001)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@H]1CN)c1ccccc1 |r|
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of Levo[ring-2,5,6-3H]norepinephrine from rat synaptosomal NET expressed in HEK293 cells by microplate scintillation counter


J Med Chem 51: 7265-72 (2009)


Article DOI: 10.1021/jm8009537
BindingDB Entry DOI: 10.7270/Q2H41SCG
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50275773
PNG
(CHEMBL469946 | N-Ethyl-N-(2-fluoroallyl) (1R,2R)-2...)
Show SMILES CCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1cccs1 |r|
Show InChI InChI=1S/C14H19FN2OS/c1-3-17(9-10(2)15)13(18)14(7-11(14)8-16)12-5-4-6-19-12/h4-6,11H,2-3,7-9,16H2,1H3/t11-,14-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of Levo[ring-2,5,6-3H]norepinephrine from rat synaptosomal NET expressed in HEK293 cells by microplate scintillation counter


J Med Chem 51: 7265-72 (2009)


Article DOI: 10.1021/jm8009537
BindingDB Entry DOI: 10.7270/Q2H41SCG
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM82217
PNG
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)
Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at NET in rat brain synaptosome by scintillation counting


Bioorg Med Chem 19: 663-76 (2011)


Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M
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
Transporter


(Rattus norvegicus (rat))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of Levo[ring-2,5,6-3H]norepinephrine from rat synaptosomal NET expressed in HEK293 cells by microplate scintillation counter


J Med Chem 51: 7265-72 (2009)


Article DOI: 10.1021/jm8009537
BindingDB Entry DOI: 10.7270/Q2H41SCG
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
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
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
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
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
Transporter


(Rattus norvegicus (rat))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled noradrenaline uptake from rat brain NET


J Med Chem 51: 7265-72 (2009)


Article DOI: 10.1021/jm8009537
BindingDB Entry DOI: 10.7270/Q2H41SCG
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
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
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))
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
Transporter


(Rattus norvegicus (rat))
BDBM50275829
PNG
(CHEMBL472253 | N-Ethyl-N-propargyl (1R,2R)-2-(Amin...)
Show SMILES CCN(CC#C)C(=O)[C@]1(C[C@H]1CN)c1cccs1 |r|
Show InChI InChI=1S/C14H18N2OS/c1-3-7-16(4-2)13(17)14(9-11(14)10-15)12-6-5-8-18-12/h1,5-6,8,11H,4,7,9-10,15H2,2H3/t11-,14-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of Levo[ring-2,5,6-3H]norepinephrine from rat synaptosomal NET expressed in HEK293 cells by microplate scintillation counter


J Med Chem 51: 7265-72 (2009)


Article DOI: 10.1021/jm8009537
BindingDB Entry DOI: 10.7270/Q2H41SCG
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50010858
PNG
(1-(1-(3-chlorophenyl)-2-(dimethylamino)ethyl)cyclo...)
Show SMILES CN(C)CC(c1cccc(Cl)c1)C1(O)CCCCC1
Show InChI InChI=1S/C16H24ClNO/c1-18(2)12-15(13-7-6-8-14(17)11-13)16(19)9-4-3-5-10-16/h6-8,11,15,19H,3-5,9-10,12H2,1-2H3
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n/an/a 160n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at rat brain norepinephrine transporter


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50309172
PNG
((1R,2S)-2-(4-benzylpiperazin-1-yl)-1-(5-chloro-6-m...)
Show SMILES COc1ccc2cc(ccc2c1Cl)[C@@H](O)[C@H](C)N1CCN(Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C25H29ClN2O2/c1-18(28-14-12-27(13-15-28)17-19-6-4-3-5-7-19)25(29)21-8-10-22-20(16-21)9-11-23(30-2)24(22)26/h3-11,16,18,25,29H,12-15,17H2,1-2H3/t18-,25-/m0/s1
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n/an/a 185n/an/an/an/an/an/a



Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at rat brain frontal cortex norepinephrine transporter


Bioorg Med Chem Lett 20: 1256-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.108
BindingDB Entry DOI: 10.7270/Q26T0MR2
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
Transporter


(Rattus norvegicus (rat))
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine uptake at NET expressed in rat hypothalamic homogenate containing synaptosomes after 5 mins by scintillation countin...


J Med Chem 19: 725-7 (1976)


BindingDB Entry DOI: 10.7270/Q2FN17RB
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
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))
BDBM50010874
PNG
(1-(1-(4-chlorophenyl)-2-(dimethylamino)ethyl)cyclo...)
Show SMILES CN(C)CC(c1ccc(Cl)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H24ClNO/c1-18(2)12-15(13-6-8-14(17)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,19H,3-5,10-12H2,1-2H3
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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 rat brain norepinephrine transporter


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
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
Transporter


(Rattus norvegicus (rat))
BDBM50244045
PNG
((1R,5R)-1-(5-bromothiophen-2-yl)-3-aza-bicyclo[3.1...)
Show SMILES Brc1ccc(s1)[C@]12C[C@H]1CNC2 |r|
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/t6-,9-/m0/s1
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n/an/a 340n/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))
BDBM50243891
PNG
(1-phenyl-3-aza-bicyclo[3.1.0]hexane | CHEMBL503383)
Show SMILES C1C2CNCC12c1ccccc1
Show InChI InChI=1S/C11H13N/c1-2-4-9(5-3-1)11-6-10(11)7-12-8-11/h1-5,10,12H,6-8H2
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n/an/a 350n/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))
BDBM50010884
PNG
(1-(2-(dimethylamino)-1-(3-(trifluoromethyl)phenyl)...)
Show SMILES CN(C)CC(c1cccc(c1)C(F)(F)F)C1(O)CCCCC1
Show InChI InChI=1S/C17H24F3NO/c1-21(2)12-15(16(22)9-4-3-5-10-16)13-7-6-8-14(11-13)17(18,19)20/h6-8,11,15,22H,3-5,9-10,12H2,1-2H3
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n/an/a 360n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at rat brain norepinephrine transporter


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
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 360n/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))
BDBM50309173
PNG
((1S,2S)-2-(4-benzylpiperazin-1-yl)-1-(5-chloro-6-m...)
Show SMILES COc1ccc2cc(ccc2c1Cl)[C@H](O)[C@H](C)N1CCN(Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C25H29ClN2O2/c1-18(28-14-12-27(13-15-28)17-19-6-4-3-5-7-19)25(29)21-8-10-22-20(16-21)9-11-23(30-2)24(22)26/h3-11,16,18,25,29H,12-15,17H2,1-2H3/t18-,25+/m0/s1
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n/an/a 425n/an/an/an/an/an/a



Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at rat brain frontal cortex norepinephrine transporter


Bioorg Med Chem Lett 20: 1256-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.108
BindingDB Entry DOI: 10.7270/Q26T0MR2
More data for this
Ligand-Target Pair
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 430n/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))
BDBM50244049
PNG
((1S,5S)-1-(5-fluorothiophen-2-yl)-3-aza-bicyclo[3....)
Show SMILES Fc1ccc(s1)[C@@]12C[C@@H]1CNC2 |r|
Show InChI InChI=1S/C9H10FNS/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 470n/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))
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 500n/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))
BDBM50243993
PNG
((cis)-4-methyl-1-(thiophen-2-yl)-3-aza-bicyclo[3.1...)
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-/m0/s1
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n/an/a 560n/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))
BDBM50243995
PNG
((1R,5R)-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-/m0/s1
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n/an/a 590n/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))
BDBM50010879
PNG
(1-(2-(dimethylamino)-1-(3-methoxyphenyl)ethyl)cycl...)
Show SMILES COc1cccc(c1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)10-5-4-6-11-17)14-8-7-9-15(12-14)20-3/h7-9,12,16,19H,4-6,10-11,13H2,1-3H3
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n/an/a 620n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at rat brain norepinephrine transporter


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50010860
PNG
(1-(1-(2-chlorophenyl)-2-(dimethylamino)ethyl)cyclo...)
Show SMILES CN(C)CC(c1ccccc1Cl)C1(O)CCCCC1
Show InChI InChI=1S/C16H24ClNO/c1-18(2)12-14(13-8-4-5-9-15(13)17)16(19)10-6-3-7-11-16/h4-5,8-9,14,19H,3,6-7,10-12H2,1-2H3
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n/an/a 640n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at rat brain norepinephrine transporter


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM82071
PNG
(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
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n/an/a 640n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at rat brain norepinephrine transporter


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50309175
PNG
((1R,2R)-2-(4-benzylpiperazin-1-yl)-1-(5-chloro-6-m...)
Show SMILES COc1ccc2cc(ccc2c1Cl)[C@@H](O)[C@@H](C)N1CCN(Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C25H29ClN2O2/c1-18(28-14-12-27(13-15-28)17-19-6-4-3-5-7-19)25(29)21-8-10-22-20(16-21)9-11-23(30-2)24(22)26/h3-11,16,18,25,29H,12-15,17H2,1-2H3/t18-,25+/m1/s1
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n/an/a 1.25E+3n/an/an/an/an/an/a



Institute of Pharmaceutical Industry

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at rat brain frontal cortex norepinephrine transporter


Bioorg Med Chem Lett 20: 1256-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.108
BindingDB Entry DOI: 10.7270/Q26T0MR2
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50386200
PNG
(CHEMBL2043240)
Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Cephalon (France)

Curated by ChEMBL


Assay Description
Inhibition of rat NET-mediated norepinephrine reuptake


Eur J Med Chem 54: 949-51 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.038
BindingDB Entry DOI: 10.7270/Q2833T23
More data for this
Ligand-Target Pair
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