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7 similar compounds to monomer 50359504

Compile data set for download or QSAR
Wt: 195.2
BDBM50024201
Purchase
Wt: 165.2
BDBM50024211
Wt: 195.2
BDBM50091070
Wt: 165.2
BDBM50359503
Wt: 181.2
BDBM50404645
Wt: 181.2
BDBM50404647
Wt: 181.2
BDBM50404648

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50024201,50024211,50091070,50359503,50404645,50404647,50404648   
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
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50024211
PNG
((+/-)2-(3-Methoxy-phenyl)-1-methyl-ethylamine | 2-...)
Show SMILES COc1cccc(CC(C)N)c1
Show InChI InChI=1S/C10H15NO/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7-8H,6,11H2,1-2H3
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2.66E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards rat cortical membranes at 5-hydroxytryptamine 1 receptor binding site by using [3H]-5-HT as a radioligand.


J Med Chem 30: 1-12 (1987)


Article DOI: 10.1021/jm00384a001
BindingDB Entry DOI: 10.7270/Q29K4BS7
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50024211
PNG
((+/-)2-(3-Methoxy-phenyl)-1-methyl-ethylamine | 2-...)
Show SMILES COc1cccc(CC(C)N)c1
Show InChI InChI=1S/C10H15NO/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7-8H,6,11H2,1-2H3
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2.66E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1 receptor of rat prefrontal cortex


J Med Chem 29: 194-9 (1986)


Article DOI: 10.1021/jm00152a005
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50024211
PNG
((+/-)2-(3-Methoxy-phenyl)-1-methyl-ethylamine | 2-...)
Show SMILES COc1cccc(CC(C)N)c1
Show InChI InChI=1S/C10H15NO/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7-8H,6,11H2,1-2H3
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7.85E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from rat prefrontal cortex 5-hydroxytryptamine 2 receptor


J Med Chem 29: 194-9 (1986)


Article DOI: 10.1021/jm00152a005
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50024211
PNG
((+/-)2-(3-Methoxy-phenyl)-1-methyl-ethylamine | 2-...)
Show SMILES COc1cccc(CC(C)N)c1
Show InChI InChI=1S/C10H15NO/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7-8H,6,11H2,1-2H3
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7.85E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to rat cortical membranes at 5-hydroxytryptamine 2 (5-HT2) receptor using [3H]KET as a radioligand


J Med Chem 30: 1-12 (1987)


Article DOI: 10.1021/jm00384a001
BindingDB Entry DOI: 10.7270/Q29K4BS7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50024211
PNG
((+/-)2-(3-Methoxy-phenyl)-1-methyl-ethylamine | 2-...)
Show SMILES COc1cccc(CC(C)N)c1
Show InChI InChI=1S/C10H15NO/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7-8H,6,11H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from NIH3T3 cells stably expressing rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 3074-84 (2000)


Article DOI: 10.1021/jm9906062
BindingDB Entry DOI: 10.7270/Q2NZ86VW
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50091070
PNG
((+/-)2-(3,5-Dimethoxy-phenyl)-1-methyl-ethylamine ...)
Show SMILES COc1cc(CC(C)N)cc(OC)c1
Show InChI InChI=1S/C11H17NO2/c1-8(12)4-9-5-10(13-2)7-11(6-9)14-3/h5-8H,4,12H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from A9 cells stably expressing rat 5-hydroxytryptamine 2C receptor


J Med Chem 43: 3074-84 (2000)


Article DOI: 10.1021/jm9906062
BindingDB Entry DOI: 10.7270/Q2NZ86VW
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50024211
PNG
((+/-)2-(3-Methoxy-phenyl)-1-methyl-ethylamine | 2-...)
Show SMILES COc1cccc(CC(C)N)c1
Show InChI InChI=1S/C10H15NO/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7-8H,6,11H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from rat 5HT2A expressed in mouse NIH/3T3 cell membranes after 30 mins by scintillation counting method


J Med Chem 60: 2605-2628 (2017)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50091070
PNG
((+/-)2-(3,5-Dimethoxy-phenyl)-1-methyl-ethylamine ...)
Show SMILES COc1cc(CC(C)N)cc(OC)c1
Show InChI InChI=1S/C11H17NO2/c1-8(12)4-9-5-10(13-2)7-11(6-9)14-3/h5-8H,4,12H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from NIH3T3 cells stably expressing rat 5-hydroxytryptamine 2A receptor


J Med Chem 43: 3074-84 (2000)


Article DOI: 10.1021/jm9906062
BindingDB Entry DOI: 10.7270/Q2NZ86VW
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50024211
PNG
((+/-)2-(3-Methoxy-phenyl)-1-methyl-ethylamine | 2-...)
Show SMILES COc1cccc(CC(C)N)c1
Show InChI InChI=1S/C10H15NO/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7-8H,6,11H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from A9 cells stably expressing rat 5-hydroxytryptamine 2C receptor


J Med Chem 43: 3074-84 (2000)


Article DOI: 10.1021/jm9906062
BindingDB Entry DOI: 10.7270/Q2NZ86VW
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50024201
PNG
((+/-)2-(3,4-Dimethoxy-phenyl)-1-methyl-ethylamine ...)
Show SMILES COc1ccc(CC(C)N)cc1OC
Show InChI InChI=1S/C11H17NO2/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7-8H,6,12H2,1-3H3
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4.33E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to rat cortical membranes at 5-hydroxytryptamine 2 (5-HT2) receptor using [3H]KET as a radioligand


J Med Chem 30: 1-12 (1987)


Article DOI: 10.1021/jm00384a001
BindingDB Entry DOI: 10.7270/Q29K4BS7
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50024201
PNG
((+/-)2-(3,4-Dimethoxy-phenyl)-1-methyl-ethylamine ...)
Show SMILES COc1ccc(CC(C)N)cc1OC
Show InChI InChI=1S/C11H17NO2/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7-8H,6,12H2,1-3H3
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6.46E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards rat cortical membranes at 5-hydroxytryptamine 1 receptor binding site by using [3H]-5-HT as a radioligand.


J Med Chem 30: 1-12 (1987)


Article DOI: 10.1021/jm00384a001
BindingDB Entry DOI: 10.7270/Q29K4BS7
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50359503
PNG
(CHEMBL1927026)
Show SMILES COc1cccc(C[C@H](C)N)c1
Show InChI InChI=1S/C10H15NO/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7-8H,6,11H2,1-2H3/t8-/m0/s1
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n/an/an/an/a 1.90E+3n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of C-terminal HA epitope tagged human TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein, Galpha16 by cAMP accumulation assay


Bioorg Med Chem 19: 7044-8 (2011)


Article DOI: 10.1016/j.bmc.2011.10.007
BindingDB Entry DOI: 10.7270/Q2765FR0
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50024201
PNG
((+/-)2-(3,4-Dimethoxy-phenyl)-1-methyl-ethylamine ...)
Show SMILES COc1ccc(CC(C)N)cc1OC
Show InChI InChI=1S/C11H17NO2/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7-8H,6,12H2,1-3H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Universidad de Chile

Curated by ChEMBL


Assay Description
Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension


J Med Chem 48: 2407-19 (2005)


Article DOI: 10.1021/jm0493109
BindingDB Entry DOI: 10.7270/Q27080XX
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50404647
PNG
(CHEMBL174723)
Show SMILES COc1ccc(CC(C)N)cc1O
Show InChI InChI=1S/C10H15NO2/c1-7(11)5-8-3-4-10(13-2)9(12)6-8/h3-4,6-7,12H,5,11H2,1-2H3
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n/an/an/a 135n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against 5-hydroxytryptamine 2B receptor obtained from rat stomach fundus preparation


J Med Chem 23: 990-4 (1980)


Article DOI: 10.1021/jm00183a006
BindingDB Entry DOI: 10.7270/Q2668FCW
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50404645
PNG
(CHEMBL175205)
Show SMILES COc1ccc(O)c(CC(C)N)c1
Show InChI InChI=1S/C10H15NO2/c1-7(11)5-8-6-9(13-2)3-4-10(8)12/h3-4,6-7,12H,5,11H2,1-2H3
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n/an/an/a 100n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against 5-hydroxytryptamine 2B receptor obtained from rat stomach fundus preparation


J Med Chem 23: 990-4 (1980)


Article DOI: 10.1021/jm00183a006
BindingDB Entry DOI: 10.7270/Q2668FCW
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50404648
PNG
(3-O-Methyl-Alpha-Methyldopamine | CHEMBL1347)
Show SMILES COc1cc(CC(C)N)ccc1O
Show InChI InChI=1S/C10H15NO2/c1-7(11)5-8-3-4-9(12)10(6-8)13-2/h3-4,6-7,12H,5,11H2,1-2H3
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n/an/an/a 3.55E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic against 5-hydroxytryptamine 2B receptor


J Med Chem 23: 990-4 (1980)


Article DOI: 10.1021/jm00183a006
BindingDB Entry DOI: 10.7270/Q2668FCW
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Macaca mulatta)
BDBM50359503
PNG
(CHEMBL1927026)
Show SMILES COc1cccc(C[C@H](C)N)c1
Show InChI InChI=1S/C10H15NO/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7-8H,6,11H2,1-2H3/t8-/m0/s1
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n/an/an/an/a 3.30E+3n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rhesus monkey TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein assessed as cAMP accumulation by fluorescence plate reader


Bioorg Med Chem 19: 7044-8 (2011)


Article DOI: 10.1016/j.bmc.2011.10.007
BindingDB Entry DOI: 10.7270/Q2765FR0
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50024201
PNG
((+/-)2-(3,4-Dimethoxy-phenyl)-1-methyl-ethylamine ...)
Show SMILES COc1ccc(CC(C)N)cc1OC
Show InChI InChI=1S/C11H17NO2/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7-8H,6,12H2,1-3H3
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n/an/an/a 3.55E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity against 5-hydroxytryptamine 2B receptor in the isolated rat stomach fundus


J Med Chem 24: 1414-21 (1982)


Article DOI: 10.1021/jm00144a009
BindingDB Entry DOI: 10.7270/Q2SX6FD3
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50024211
PNG
((+/-)2-(3-Methoxy-phenyl)-1-methyl-ethylamine | 2-...)
Show SMILES COc1cccc(CC(C)N)c1
Show InChI InChI=1S/C10H15NO/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7-8H,6,11H2,1-2H3
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n/an/an/a 1.20E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity against 5-hydroxytryptamine 2B receptor in the isolated rat stomach fundus


J Med Chem 24: 1414-21 (1982)


Article DOI: 10.1021/jm00144a009
BindingDB Entry DOI: 10.7270/Q2SX6FD3
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50404645
PNG
(CHEMBL175205)
Show SMILES COc1ccc(O)c(CC(C)N)c1
Show InChI InChI=1S/C10H15NO2/c1-7(11)5-8-6-9(13-2)3-4-10(8)12/h3-4,6-7,12H,5,11H2,1-2H3
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n/an/an/a 148n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic against 5-hydroxytryptamine 2B receptor


J Med Chem 23: 990-4 (1980)


Article DOI: 10.1021/jm00183a006
BindingDB Entry DOI: 10.7270/Q2668FCW
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50404648
PNG
(3-O-Methyl-Alpha-Methyldopamine | CHEMBL1347)
Show SMILES COc1cc(CC(C)N)ccc1O
Show InChI InChI=1S/C10H15NO2/c1-7(11)5-8-3-4-9(12)10(6-8)13-2/h3-4,6-7,12H,5,11H2,1-2H3
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n/an/an/a 6.46E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against 5-hydroxytryptamine 2B receptor obtained from rat stomach fundus preparation


J Med Chem 23: 990-4 (1980)


Article DOI: 10.1021/jm00183a006
BindingDB Entry DOI: 10.7270/Q2668FCW
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50404647
PNG
(CHEMBL174723)
Show SMILES COc1ccc(CC(C)N)cc1O
Show InChI InChI=1S/C10H15NO2/c1-7(11)5-8-3-4-10(13-2)9(12)6-8/h3-4,6-7,12H,5,11H2,1-2H3
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n/an/an/a 3.55E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic against 5-hydroxytryptamine 2B receptor


J Med Chem 23: 990-4 (1980)


Article DOI: 10.1021/jm00183a006
BindingDB Entry DOI: 10.7270/Q2668FCW
More data for this
Ligand-Target Pair