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SMILES: COc1ccccc1-c1cc(CCN(C)C)ccc1Cl

InChI Key:

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 = 50582607   
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
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50582607
PNG
(CHEMBL5074190)
Show SMILES COc1ccccc1-c1cc(CCN(C)C)ccc1Cl
PDB

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2.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] D-lysergic acid diethylamide from 5-HT7R (unknown origin) transfected in HEK293 cells incubated for 1.5 hrs by microbeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI: 10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50582607
PNG
(CHEMBL5074190)
Show SMILES COc1ccccc1-c1cc(CCN(C)C)ccc1Cl
PDB

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2.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] D-lysergic acid diethylamide from 5-HT7R (unknown origin) transfected in HEK293 cells incubated for 1.5 hrs by microbeta scintil...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI: 10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50582607
PNG
(CHEMBL5074190)
Show SMILES COc1ccccc1-c1cc(CCN(C)C)ccc1Cl
PDB

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74n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5-HT1BR (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI: 10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50582607
PNG
(CHEMBL5074190)
Show SMILES COc1ccccc1-c1cc(CCN(C)C)ccc1Cl
PDB

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86n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5-HT1DR (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI: 10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50582607
PNG
(CHEMBL5074190)
Show SMILES COc1ccccc1-c1cc(CCN(C)C)ccc1Cl
PDB
MMDB

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250n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5-HT2AR (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI: 10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50582607
PNG
(CHEMBL5074190)
Show SMILES COc1ccccc1-c1cc(CCN(C)C)ccc1Cl
PDB

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280n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5-HT2BR (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI: 10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50582607
PNG
(CHEMBL5074190)
Show SMILES COc1ccccc1-c1cc(CCN(C)C)ccc1Cl
PDB

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280n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5-HT1AR (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI: 10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50582607
PNG
(CHEMBL5074190)
Show SMILES COc1ccccc1-c1cc(CCN(C)C)ccc1Cl
PDB

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380n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5-HT5AR (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI: 10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50582607
PNG
(CHEMBL5074190)
Show SMILES COc1ccccc1-c1cc(CCN(C)C)ccc1Cl
PDB

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1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5-HT6R (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI: 10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1E


(Homo sapiens (Human))
BDBM50582607
PNG
(CHEMBL5074190)
Show SMILES COc1ccccc1-c1cc(CCN(C)C)ccc1Cl
PDB

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2.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5-HT1ER (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI: 10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens)
BDBM50582607
PNG
(CHEMBL5074190)
Show SMILES COc1ccccc1-c1cc(CCN(C)C)ccc1Cl
PDB
MMDB

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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5-HT2CR (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI: 10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50582607
PNG
(CHEMBL5074190)
Show SMILES COc1ccccc1-c1cc(CCN(C)C)ccc1Cl
PDB

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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5-HT3R (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI: 10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50582607
PNG
(CHEMBL5074190)
Show SMILES COc1ccccc1-c1cc(CCN(C)C)ccc1Cl
PDB

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n/an/an/an/a 56n/an/an/an/a


TBA

Assay Description
Agonist activity at 5-HT7R (unknown origin) transfected in HEK293 cells expressing tTA-dependent luciferase reporter and beta arrestin 2-TEV fusion g...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI: 10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50582607
PNG
(CHEMBL5074190)
Show SMILES COc1ccccc1-c1cc(CCN(C)C)ccc1Cl
PDB

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n/an/an/an/a 56n/an/an/an/a


TBA

Assay Description
Agonist activity at 5-HT7R (unknown origin) transfected in HEK293 cells expressing tTA-dependent luciferase reporter and beta arrestin 2-TEV fusion g...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI: 10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50582607
PNG
(CHEMBL5074190)
Show SMILES COc1ccccc1-c1cc(CCN(C)C)ccc1Cl
PDB

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n/an/an/an/a 84n/an/an/an/a


TBA

Assay Description
Agonist activity at human 5-HT7R transfected in HEK293 cells assessed as Gs-mediated cAMP accumulation incubated for 30 mins by microplate reader ana...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI: 10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50582607
PNG
(CHEMBL5074190)
Show SMILES COc1ccccc1-c1cc(CCN(C)C)ccc1Cl
PDB

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n/an/an/an/a 83n/an/an/an/a


TBA

Assay Description
Agonist activity at human 5-HT7R transfected in HEK293 cells assessed as Gs-mediated cAMP accumulation incubated for 30 mins by microplate reader ana...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI: 10.7270/Q2D50RTX
More data for this
Ligand-Target Pair