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3 similar compounds to monomer 50014406

Compile data set for download or QSAR
Wt: 204.2
BDBM50014946
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Wt: 232.3
BDBM50085972
Wt: 280.3
BDBM50331285
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 50014946,50085972,50331285   
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 6 (5-HT6)


(Homo sapiens (Human))
BDBM50085972
PNG
(CHEMBL7143 | [2-(5-Methoxy-2-methyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(C)c(CCN(C)C)c2c1
Show InChI InChI=1S/C14H20N2O/c1-10-12(7-8-16(2)3)13-9-11(17-4)5-6-14(13)15-10/h5-6,9,15H,7-8H2,1-4H3
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60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50085972
PNG
(CHEMBL7143 | [2-(5-Methoxy-2-methyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(C)c(CCN(C)C)c2c1
Show InChI InChI=1S/C14H20N2O/c1-10-12(7-8-16(2)3)13-9-11(17-4)5-6-14(13)15-10/h5-6,9,15H,7-8H2,1-4H3
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60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards human 5-hydroxytryptamine 6 receptor


J Med Chem 43: 1011-8 (2000)


Article DOI: 10.1021/jm990550b
BindingDB Entry DOI: 10.7270/Q2CF9PBP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50014946
PNG
(2-(5-Methoxy-2-methyl-1H-indol-3-yl)-ethylamine | ...)
Show SMILES COc1ccc2[nH]c(C)c(CCN)c2c1
Show InChI InChI=1S/C12H16N2O/c1-8-10(5-6-13)11-7-9(15-2)3-4-12(11)14-8/h3-4,7,14H,5-6,13H2,1-2H3
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80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 6 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50085972
PNG
(CHEMBL7143 | [2-(5-Methoxy-2-methyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(C)c(CCN(C)C)c2c1
Show InChI InChI=1S/C14H20N2O/c1-10-12(7-8-16(2)3)13-9-11(17-4)5-6-14(13)15-10/h5-6,9,15H,7-8H2,1-4H3
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80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor expressed in HEK 293 human embryonic kidney cells, [3H]-lysergic acid diethylamide as radio...


J Med Chem 43: 1011-8 (2000)


Article DOI: 10.1021/jm990550b
BindingDB Entry DOI: 10.7270/Q2CF9PBP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50085972
PNG
(CHEMBL7143 | [2-(5-Methoxy-2-methyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(C)c(CCN(C)C)c2c1
Show InChI InChI=1S/C14H20N2O/c1-10-12(7-8-16(2)3)13-9-11(17-4)5-6-14(13)15-10/h5-6,9,15H,7-8H2,1-4H3
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89n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity as displacement of [3H]-5-HT binding to 5-hydroxytryptamine 6 receptor in HeLa cells.


J Med Chem 44: 3881-95 (2001)


Article DOI: 10.1021/jm010943m
BindingDB Entry DOI: 10.7270/Q2T72GRW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50014946
PNG
(2-(5-Methoxy-2-methyl-1H-indol-3-yl)-ethylamine | ...)
Show SMILES COc1ccc2[nH]c(C)c(CCN)c2c1
Show InChI InChI=1S/C12H16N2O/c1-8-10(5-6-13)11-7-9(15-2)3-4-12(11)14-8/h3-4,7,14H,5-6,13H2,1-2H3
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98n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor expressed in HEK 293 human embryonic kidney cells, [3H]-lysergic acid diethylamide as radio...


J Med Chem 43: 1011-8 (2000)


Article DOI: 10.1021/jm990550b
BindingDB Entry DOI: 10.7270/Q2CF9PBP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50085972
PNG
(CHEMBL7143 | [2-(5-Methoxy-2-methyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(C)c(CCN(C)C)c2c1
Show InChI InChI=1S/C14H20N2O/c1-10-12(7-8-16(2)3)13-9-11(17-4)5-6-14(13)15-10/h5-6,9,15H,7-8H2,1-4H3
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145n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards human 5-hydroxytryptamine 7 receptor


J Med Chem 43: 1011-8 (2000)


Article DOI: 10.1021/jm990550b
BindingDB Entry DOI: 10.7270/Q2CF9PBP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50085972
PNG
(CHEMBL7143 | [2-(5-Methoxy-2-methyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(C)c(CCN(C)C)c2c1
Show InChI InChI=1S/C14H20N2O/c1-10-12(7-8-16(2)3)13-9-11(17-4)5-6-14(13)15-10/h5-6,9,15H,7-8H2,1-4H3
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200n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards human human 5-hydroxytryptamine 1A receptor


J Med Chem 43: 1011-8 (2000)


Article DOI: 10.1021/jm990550b
BindingDB Entry DOI: 10.7270/Q2CF9PBP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50085972
PNG
(CHEMBL7143 | [2-(5-Methoxy-2-methyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(C)c(CCN(C)C)c2c1
Show InChI InChI=1S/C14H20N2O/c1-10-12(7-8-16(2)3)13-9-11(17-4)5-6-14(13)15-10/h5-6,9,15H,7-8H2,1-4H3
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250n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards human 5-hydroxytryptamine 1D receptor


J Med Chem 43: 1011-8 (2000)


Article DOI: 10.1021/jm990550b
BindingDB Entry DOI: 10.7270/Q2CF9PBP
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50014946
PNG
(2-(5-Methoxy-2-methyl-1H-indol-3-yl)-ethylamine | ...)
Show SMILES COc1ccc2[nH]c(C)c(CCN)c2c1
Show InChI InChI=1S/C12H16N2O/c1-8-10(5-6-13)11-7-9(15-2)3-4-12(11)14-8/h3-4,7,14H,5-6,13H2,1-2H3
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690n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity was determined against 5-hydroxytryptamine 1C receptor was determined in male Sprague-Dawley rat brain.


J Med Chem 33: 755-8 (1990)


Article DOI: 10.1021/jm00164a046
BindingDB Entry DOI: 10.7270/Q2PG1QPP
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50014946
PNG
(2-(5-Methoxy-2-methyl-1H-indol-3-yl)-ethylamine | ...)
Show SMILES COc1ccc2[nH]c(C)c(CCN)c2c1
Show InChI InChI=1S/C12H16N2O/c1-8-10(5-6-13)11-7-9(15-2)3-4-12(11)14-8/h3-4,7,14H,5-6,13H2,1-2H3
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800n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity was determined against 5-hydroxytryptamine 1B receptor was determined in male Sprague-Dawley rat brain.


J Med Chem 33: 755-8 (1990)


Article DOI: 10.1021/jm00164a046
BindingDB Entry DOI: 10.7270/Q2PG1QPP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50014946
PNG
(2-(5-Methoxy-2-methyl-1H-indol-3-yl)-ethylamine | ...)
Show SMILES COc1ccc2[nH]c(C)c(CCN)c2c1
Show InChI InChI=1S/C12H16N2O/c1-8-10(5-6-13)11-7-9(15-2)3-4-12(11)14-8/h3-4,7,14H,5-6,13H2,1-2H3
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1.06E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity was determined against 5-hydroxytryptamine 1D receptor in bovine caudate homogenate


J Med Chem 33: 755-8 (1990)


Article DOI: 10.1021/jm00164a046
BindingDB Entry DOI: 10.7270/Q2PG1QPP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50085972
PNG
(CHEMBL7143 | [2-(5-Methoxy-2-methyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(C)c(CCN(C)C)c2c1
Show InChI InChI=1S/C14H20N2O/c1-10-12(7-8-16(2)3)13-9-11(17-4)5-6-14(13)15-10/h5-6,9,15H,7-8H2,1-4H3
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1.26E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards rodent 5-hydroxytryptamine 7 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50014946
PNG
(2-(5-Methoxy-2-methyl-1H-indol-3-yl)-ethylamine | ...)
Show SMILES COc1ccc2[nH]c(C)c(CCN)c2c1
Show InChI InChI=1S/C12H16N2O/c1-8-10(5-6-13)11-7-9(15-2)3-4-12(11)14-8/h3-4,7,14H,5-6,13H2,1-2H3
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1.30E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity was determined against 5-hydroxytryptamine 1A receptor was determined in male Sprague-Dawley rat brain.


J Med Chem 33: 755-8 (1990)


Article DOI: 10.1021/jm00164a046
BindingDB Entry DOI: 10.7270/Q2PG1QPP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50085972
PNG
(CHEMBL7143 | [2-(5-Methoxy-2-methyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(C)c(CCN(C)C)c2c1
Show InChI InChI=1S/C14H20N2O/c1-10-12(7-8-16(2)3)13-9-11(17-4)5-6-14(13)15-10/h5-6,9,15H,7-8H2,1-4H3
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1.80E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards human 5-hydroxytryptamine 1E receptor


J Med Chem 43: 1011-8 (2000)


Article DOI: 10.1021/jm990550b
BindingDB Entry DOI: 10.7270/Q2CF9PBP
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50085972
PNG
(CHEMBL7143 | [2-(5-Methoxy-2-methyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(C)c(CCN(C)C)c2c1
Show InChI InChI=1S/C14H20N2O/c1-10-12(7-8-16(2)3)13-9-11(17-4)5-6-14(13)15-10/h5-6,9,15H,7-8H2,1-4H3
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4.02E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards rat 5-hydroxytryptamine 2C receptor


J Med Chem 43: 1011-8 (2000)


Article DOI: 10.1021/jm990550b
BindingDB Entry DOI: 10.7270/Q2CF9PBP
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50085972
PNG
(CHEMBL7143 | [2-(5-Methoxy-2-methyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(C)c(CCN(C)C)c2c1
Show InChI InChI=1S/C14H20N2O/c1-10-12(7-8-16(2)3)13-9-11(17-4)5-6-14(13)15-10/h5-6,9,15H,7-8H2,1-4H3
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6.38E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards human NET (norepinephrine) transporter


J Med Chem 43: 1011-8 (2000)


Article DOI: 10.1021/jm990550b
BindingDB Entry DOI: 10.7270/Q2CF9PBP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50014946
PNG
(2-(5-Methoxy-2-methyl-1H-indol-3-yl)-ethylamine | ...)
Show SMILES COc1ccc2[nH]c(C)c(CCN)c2c1
Show InChI InChI=1S/C12H16N2O/c1-8-10(5-6-13)11-7-9(15-2)3-4-12(11)14-8/h3-4,7,14H,5-6,13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards 55-hydroxytryptamine 3 receptor


J Med Chem 43: 1011-8 (2000)


Article DOI: 10.1021/jm990550b
BindingDB Entry DOI: 10.7270/Q2CF9PBP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50085972
PNG
(CHEMBL7143 | [2-(5-Methoxy-2-methyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(C)c(CCN(C)C)c2c1
Show InChI InChI=1S/C14H20N2O/c1-10-12(7-8-16(2)3)13-9-11(17-4)5-6-14(13)15-10/h5-6,9,15H,7-8H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards human serotonin transporter


J Med Chem 43: 1011-8 (2000)


Article DOI: 10.1021/jm990550b
BindingDB Entry DOI: 10.7270/Q2CF9PBP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50085972
PNG
(CHEMBL7143 | [2-(5-Methoxy-2-methyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(C)c(CCN(C)C)c2c1
Show InChI InChI=1S/C14H20N2O/c1-10-12(7-8-16(2)3)13-9-11(17-4)5-6-14(13)15-10/h5-6,9,15H,7-8H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 1011-8 (2000)


Article DOI: 10.1021/jm990550b
BindingDB Entry DOI: 10.7270/Q2CF9PBP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50014946
PNG
(2-(5-Methoxy-2-methyl-1H-indol-3-yl)-ethylamine | ...)
Show SMILES COc1ccc2[nH]c(C)c(CCN)c2c1
Show InChI InChI=1S/C12H16N2O/c1-8-10(5-6-13)11-7-9(15-2)3-4-12(11)14-8/h3-4,7,14H,5-6,13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity was determined against 5-hydroxytryptamine 1E receptor in human cortical homogenate


J Med Chem 33: 755-8 (1990)


Article DOI: 10.1021/jm00164a046
BindingDB Entry DOI: 10.7270/Q2PG1QPP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50014946
PNG
(2-(5-Methoxy-2-methyl-1H-indol-3-yl)-ethylamine | ...)
Show SMILES COc1ccc2[nH]c(C)c(CCN)c2c1
Show InChI InChI=1S/C12H16N2O/c1-8-10(5-6-13)11-7-9(15-2)3-4-12(11)14-8/h3-4,7,14H,5-6,13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50014946
PNG
(2-(5-Methoxy-2-methyl-1H-indol-3-yl)-ethylamine | ...)
Show SMILES COc1ccc2[nH]c(C)c(CCN)c2c1
Show InChI InChI=1S/C12H16N2O/c1-8-10(5-6-13)11-7-9(15-2)3-4-12(11)14-8/h3-4,7,14H,5-6,13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity was determined against 5-hydroxytryptamine 2 receptor from male Sprague-Dawley rat brain.


J Med Chem 33: 755-8 (1990)


Article DOI: 10.1021/jm00164a046
BindingDB Entry DOI: 10.7270/Q2PG1QPP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50085972
PNG
(CHEMBL7143 | [2-(5-Methoxy-2-methyl-1H-indol-3-yl)...)
Show SMILES COc1ccc2[nH]c(C)c(CCN(C)C)c2c1
Show InChI InChI=1S/C14H20N2O/c1-10-12(7-8-16(2)3)13-9-11(17-4)5-6-14(13)15-10/h5-6,9,15H,7-8H2,1-4H3
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1.05E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards human 5-hydroxytryptamine 5A receptor


J Med Chem 43: 1011-8 (2000)


Article DOI: 10.1021/jm990550b
BindingDB Entry DOI: 10.7270/Q2CF9PBP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50331285
PNG
(2-(5-(benzyloxy)-2-methyl-1H-indol-3-yl)ethanamine...)
Show SMILES Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CCN
Show InChI InChI=1S/C18H20N2O/c1-13-16(9-10-19)17-11-15(7-8-18(17)20-13)21-12-14-5-3-2-4-6-14/h2-8,11,20H,9-10,12,19H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of menthol-induced 45calcium influx treated 5 m...


Bioorg Med Chem Lett 20: 7076-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.099
BindingDB Entry DOI: 10.7270/Q2DN459H
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50331285
PNG
(2-(5-(benzyloxy)-2-methyl-1H-indol-3-yl)ethanamine...)
Show SMILES Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CCN
Show InChI InChI=1S/C18H20N2O/c1-13-16(9-10-19)17-11-15(7-8-18(17)20-13)21-12-14-5-3-2-4-6-14/h2-8,11,20H,9-10,12,19H2,1H3
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n/an/a 2.36E+3n/an/an/an/an/an/a



Renovis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 receptor expressed in human T-REx-293 cells assessed as inhibition of icilin-induced 45calcium influx treated 5 mi...


Bioorg Med Chem Lett 20: 7076-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.099
BindingDB Entry DOI: 10.7270/Q2DN459H
More data for this
Ligand-Target Pair