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BDBM50032379 (1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropanecarboxamide::(1S,2R)-2-Aminomethyl-1-phenyl-cyclopropanecarboxylic acid diethylamide::CHEMBL99946::LEVOMILNACIPRAN

SMILES: CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1

InChI Key: InChIKey=GJJFMKBJSRMPLA-DZGCQCFKSA-N

Data: 2 KI  14 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50032379   
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
Monoamine transporters; Norepinephrine & serotonin


(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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PubMed
8.5n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-paroxetine binding on serotonin transporter of rat cerebral cortical synaptic membrane


J Med Chem 39: 4844-52 (1997)


Article DOI: 10.1021/jm960495w
BindingDB Entry DOI: 10.7270/Q2M907R2
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(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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8.5n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Serotonin transporter in cerebral cortical synaptic membrane of rats using [3H]-paroxetine


J Med Chem 41: 3507-14 (1998)


Article DOI: 10.1021/jm980238m
BindingDB Entry DOI: 10.7270/Q2000175
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
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 77n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET


Bioorg Med Chem Lett 18: 3328-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
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 3.20E+3n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DAT


Bioorg Med Chem Lett 18: 3328-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
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 420n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT


Bioorg Med Chem Lett 18: 3328-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
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 6.10E+3n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DAT


Bioorg Med Chem Lett 18: 1346-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.011
BindingDB Entry DOI: 10.7270/Q2S183BV
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
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 40n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
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 3.20E+3n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
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 320n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
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))
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
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
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 77n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET


Bioorg Med Chem Lett 18: 1346-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.011
BindingDB Entry DOI: 10.7270/Q2S183BV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
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 420n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT


Bioorg Med Chem Lett 18: 1346-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.011
BindingDB Entry DOI: 10.7270/Q2S183BV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
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 320n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT


Bioorg Med Chem Lett 18: 3328-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
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 40n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET


Bioorg Med Chem Lett 18: 3328-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
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 6.10E+3n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DAT


Bioorg Med Chem Lett 18: 3328-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK
More data for this
Ligand-Target Pair