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3 similar compounds to monomer 50359501

Compile data set for download or QSAR
Wt: 151.2
BDBM81459
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Wt: 165.2
BDBM50024209
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Wt: 151.2
BDBM50359502
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 81459,50024209,50359502   
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
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50024209
PNG
((+/-)2-(4-Methoxy-phenyl)-1-methyl-ethylamine | (-...)
Show SMILES COc1ccc(CC(C)N)cc1
Show InChI InChI=1S/C10H15NO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3
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250n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat brain mitochondria


Bioorg Med Chem 17: 2452-60 (2009)


Article DOI: 10.1016/j.bmc.2009.01.074
BindingDB Entry DOI: 10.7270/Q2KW5GZ3
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM81459
PNG
(4-(2-aminopropyl)phenol;hydrobromide | CAS_103-86-...)
Show SMILES CC(N)Cc1ccc(O)cc1
Show InChI InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3
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5.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50024209
PNG
((+/-)2-(4-Methoxy-phenyl)-1-methyl-ethylamine | (-...)
Show SMILES COc1ccc(CC(C)N)cc1
Show InChI InChI=1S/C10H15NO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3
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3.36E+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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM81459
PNG
(4-(2-aminopropyl)phenol;hydrobromide | CAS_103-86-...)
Show SMILES CC(N)Cc1ccc(O)cc1
Show InChI InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3
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3.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50024209
PNG
((+/-)2-(4-Methoxy-phenyl)-1-methyl-ethylamine | (-...)
Show SMILES COc1ccc(CC(C)N)cc1
Show InChI InChI=1S/C10H15NO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3
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7.94E+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))
BDBM81459
PNG
(4-(2-aminopropyl)phenol;hydrobromide | CAS_103-86-...)
Show SMILES CC(N)Cc1ccc(O)cc1
Show InChI InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3
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n/an/an/an/a 1.18E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24748HT
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM81459
PNG
(4-(2-aminopropyl)phenol;hydrobromide | CAS_103-86-...)
Show SMILES CC(N)Cc1ccc(O)cc1
Show InChI InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3
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n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2QZ28KG
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM81459
PNG
(4-(2-aminopropyl)phenol;hydrobromide | CAS_103-86-...)
Show SMILES CC(N)Cc1ccc(O)cc1
Show InChI InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3
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n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2QZ28KG
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM81459
PNG
(4-(2-aminopropyl)phenol;hydrobromide | CAS_103-86-...)
Show SMILES CC(N)Cc1ccc(O)cc1
Show InChI InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3
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n/an/an/an/a 51n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity of Opioid receptor mu 1 by displacing the radioligand [3H]DAMGO from rat brain membrane


J Med Chem 60: 2605-2628 (2017)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50024209
PNG
((+/-)2-(4-Methoxy-phenyl)-1-methyl-ethylamine | (-...)
Show SMILES COc1ccc(CC(C)N)cc1
Show InChI InChI=1S/C10H15NO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3
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n/an/a 173n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake at rat SERT expressed in HEK293 cells after 2 mins by liquid scintillation counting


Eur J Med Chem 44: 4862-88 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.027
BindingDB Entry DOI: 10.7270/Q24J0F7W
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50359502
PNG
(CHEMBL1230845 | HYDROXYAMPHETAMINE)
Show SMILES C[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3/t7-/m1/s1
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n/an/an/an/a 3.16E+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
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM50359502
PNG
(CHEMBL1230845 | HYDROXYAMPHETAMINE)
Show SMILES C[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3/t7-/m1/s1
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n/an/an/an/a 60n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of rat TAAR1 expressed in HEK293 cells assessed as accumulation of [3H]cAMP after 1 hr by liquid scintillation counting


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
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM50359502
PNG
(CHEMBL1230845 | HYDROXYAMPHETAMINE)
Show SMILES C[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3/t7-/m1/s1
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n/an/an/an/a 5.65E+3n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Activation of mouse TAAR1 expressed in human HEK293 cells assessed as accumulation of [3H]cAMP after 1 hr by liquid scintillation counting


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
Trace amine-associated receptor 1


(Macaca mulatta)
BDBM50359502
PNG
(CHEMBL1230845 | HYDROXYAMPHETAMINE)
Show SMILES C[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3/t7-/m1/s1
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n/an/an/an/a 424n/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)
BDBM50024209
PNG
((+/-)2-(4-Methoxy-phenyl)-1-methyl-ethylamine | (-...)
Show SMILES COc1ccc(CC(C)N)cc1
Show InChI InChI=1S/C10H15NO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3
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n/an/an/a 6.92E+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
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM81459
PNG
(4-(2-aminopropyl)phenol;hydrobromide | CAS_103-86-...)
Show SMILES CC(N)Cc1ccc(O)cc1
Show InChI InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3
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n/an/an/an/a 1.71E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24748HT
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM81459
PNG
(4-(2-aminopropyl)phenol;hydrobromide | CAS_103-86-...)
Show SMILES CC(N)Cc1ccc(O)cc1
Show InChI InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3
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n/an/a 5.84E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q280517J
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM81459
PNG
(4-(2-aminopropyl)phenol;hydrobromide | CAS_103-86-...)
Show SMILES CC(N)Cc1ccc(O)cc1
Show InChI InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3
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n/an/a 1.18E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q280517J
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM81459
PNG
(4-(2-aminopropyl)phenol;hydrobromide | CAS_103-86-...)
Show SMILES CC(N)Cc1ccc(O)cc1
Show InChI InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3
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n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM81459
PNG
(4-(2-aminopropyl)phenol;hydrobromide | CAS_103-86-...)
Show SMILES CC(N)Cc1ccc(O)cc1
Show InChI InChI=1S/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3
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n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50024209
PNG
((+/-)2-(4-Methoxy-phenyl)-1-methyl-ethylamine | (-...)
Show SMILES COc1ccc(CC(C)N)cc1
Show InChI InChI=1S/C10H15NO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3
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n/an/a 300n/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