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BDBM50334919 (R)-1-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-4-amine::CHEMBL1643513

SMILES: CN[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12

InChI Key: InChIKey=RYIJMRFACOYPNH-OAHLLOKOSA-N

Data: 8 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 8 hits for monomerid = 50334919   
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 serotonin transporter


(Homo sapiens (Human))
BDBM50334919
PNG
((R)-1-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrah...)
Show SMILES CN[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
Show InChI InChI=1S/C16H16Cl2N2/c1-19-15-8-9-20(16-5-3-2-4-12(15)16)11-6-7-13(17)14(18)10-11/h2-7,10,15,19H,8-9H2,1H3/t15-/m1/s1
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n/an/a 132n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5HT transporter


Bioorg Med Chem Lett 21: 520-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.086
BindingDB Entry DOI: 10.7270/Q2DJ5FWS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50334919
PNG
((R)-1-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrah...)
Show SMILES CN[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
Show InChI InChI=1S/C16H16Cl2N2/c1-19-15-8-9-20(16-5-3-2-4-12(15)16)11-6-7-13(17)14(18)10-11/h2-7,10,15,19H,8-9H2,1H3/t15-/m1/s1
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n/an/a 601n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant norepinephrine transporter


Bioorg Med Chem Lett 21: 520-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.086
BindingDB Entry DOI: 10.7270/Q2DJ5FWS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50334919
PNG
((R)-1-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrah...)
Show SMILES CN[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
Show InChI InChI=1S/C16H16Cl2N2/c1-19-15-8-9-20(16-5-3-2-4-12(15)16)11-6-7-13(17)14(18)10-11/h2-7,10,15,19H,8-9H2,1H3/t15-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant dopamine transporter


Bioorg Med Chem Lett 21: 520-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.086
BindingDB Entry DOI: 10.7270/Q2DJ5FWS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50334919
PNG
((R)-1-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrah...)
Show SMILES CN[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
Show InChI InChI=1S/C16H16Cl2N2/c1-19-15-8-9-20(16-5-3-2-4-12(15)16)11-6-7-13(17)14(18)10-11/h2-7,10,15,19H,8-9H2,1H3/t15-/m1/s1
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n/an/a 3.25E+3n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 520-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.086
BindingDB Entry DOI: 10.7270/Q2DJ5FWS
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50334919
PNG
((R)-1-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrah...)
Show SMILES CN[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
Show InChI InChI=1S/C16H16Cl2N2/c1-19-15-8-9-20(16-5-3-2-4-12(15)16)11-6-7-13(17)14(18)10-11/h2-7,10,15,19H,8-9H2,1H3/t15-/m1/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 21: 520-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.086
BindingDB Entry DOI: 10.7270/Q2DJ5FWS
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50334919
PNG
((R)-1-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrah...)
Show SMILES CN[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
Show InChI InChI=1S/C16H16Cl2N2/c1-19-15-8-9-20(16-5-3-2-4-12(15)16)11-6-7-13(17)14(18)10-11/h2-7,10,15,19H,8-9H2,1H3/t15-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 21: 520-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.086
BindingDB Entry DOI: 10.7270/Q2DJ5FWS
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50334919
PNG
((R)-1-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrah...)
Show SMILES CN[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
Show InChI InChI=1S/C16H16Cl2N2/c1-19-15-8-9-20(16-5-3-2-4-12(15)16)11-6-7-13(17)14(18)10-11/h2-7,10,15,19H,8-9H2,1H3/t15-/m1/s1
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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: 520-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.086
BindingDB Entry DOI: 10.7270/Q2DJ5FWS
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50334919
PNG
((R)-1-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrah...)
Show SMILES CN[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc12 |r|
Show InChI InChI=1S/C16H16Cl2N2/c1-19-15-8-9-20(16-5-3-2-4-12(15)16)11-6-7-13(17)14(18)10-11/h2-7,10,15,19H,8-9H2,1H3/t15-/m1/s1
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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: 520-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.086
BindingDB Entry DOI: 10.7270/Q2DJ5FWS
More data for this
Ligand-Target Pair