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BDBM50337911 (+/-)-1-(1-(3,4-dichlorophenyl)cyclohexyl)-N,N-dimethylethanamine::1-(1-(3,4-dichlorophenyl)cyclohexyl)-N,N-dimethylethanamine::CHEMBL1684047::CHEMBL1684058::US10562878, Compound 43

SMILES: CC(N(C)C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=OBWKCACUZGJXHN-UHFFFAOYSA-N

Data: 21 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 21 hits for monomerid = 50337911   
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 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 10n/an/an/an/an/an/a



School of Medicine of University of Electronic Science and Technology of China

Curated by ChEMBL


Assay Description
Inhibition of recombinant human norepinephrine transporter assessed as reduction in [3H]-NA reuptake


Bioorg Med Chem 24: 1419-30 (2016)


BindingDB Entry DOI: 10.7270/Q22N5444
More data for this
Ligand-Target Pair
Monoamine 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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US Patent
n/an/a 64n/an/an/an/an/an/a



SUNOVION PHARAMCEUTICALS INC.

US Patent


Assay Description
Inhibition of human dopamine reuptake transporter was assayed using the recombinant human dopamine transporter expressed in either CHO-K1 or HEK293 c...


US Patent US10562878 (2020)


BindingDB Entry DOI: 10.7270/Q2XP77BX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin 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 12n/an/an/an/an/an/a



School of Medicine of University of Electronic Science and Technology of China

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-HT transporter expressed in HEK293 cells assessed as reduction in [3H]-5-HT reuptake


Bioorg Med Chem 24: 1419-30 (2016)


BindingDB Entry DOI: 10.7270/Q22N5444
More data for this
Ligand-Target Pair
Sodium-dependent serotonin 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 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 serotonin 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 240n/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 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 serotonin 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 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 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 10n/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))
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 570n/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))
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 64n/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))
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 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 220n/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
Potassium voltage-gated channel subfamily H member 2


(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 4.00E+4n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


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
Cytochrome P450 2C19


(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>2.50E+4n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


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
Cytochrome P450 2C9


(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>2.50E+4n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


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
Cytochrome P450 3A4


(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>2.50E+4n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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
Cytochrome P450 2D6


(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>2.50E+4n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


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
Potassium voltage-gated channel subfamily H member 2


(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 4.00E+4n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


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 serotonin 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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US Patent
n/an/a 15n/an/an/an/an/an/a



SUNOVION PHARAMCEUTICALS INC.

US Patent


Assay Description
Inhibition of human serotonin reuptake transporter was assayed using the recombinant human serotonin transporter expressed in HEK-293 cells. HEK-293 ...


US Patent US10562878 (2020)


BindingDB Entry DOI: 10.7270/Q2XP77BX
More data for this
Ligand-Target Pair
Neuroepithelial cell-transforming gene 1 protein


(Homo sapiens)
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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US Patent
n/an/a 7n/an/an/an/an/an/a



SUNOVION PHARAMCEUTICALS INC.

US Patent


Assay Description
Inhibition of human norepinephrine reuptake transporter was assayed using the recombinant human norepinephrine transporter expressed in either HEK293...


US Patent US10562878 (2020)


BindingDB Entry DOI: 10.7270/Q2XP77BX
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
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 36n/an/an/an/an/an/a



School of Medicine of University of Electronic Science and Technology of China

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DA transporter assessed as reduction in [3H]-DA reuptake


Bioorg Med Chem 24: 1419-30 (2016)


BindingDB Entry DOI: 10.7270/Q22N5444
More data for this
Ligand-Target Pair