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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM30707'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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14n/an/an/an/an/an/an/an/a



Stanford University

Curated by PDSP Ki Database




J Neurosci 9: 3482-90 (1989)


BindingDB Entry DOI: 10.7270/Q2FX77Z2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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15n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]-DOI.


J Med Chem 37: 1929-35 (1994)


BindingDB Entry DOI: 10.7270/Q2GQ6WT0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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15n/an/an/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from cloned human 5HT2A receptor expressed in CHO cells


J Med Chem 49: 318-28 (2006)


Article DOI: 10.1021/jm050663x
BindingDB Entry DOI: 10.7270/Q23B5ZQW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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90n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Synapse 35: 144-50 (2000)


Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<144::AID-SYN7>3.0.CO;2-K
BindingDB Entry DOI: 10.7270/Q2ST7NDX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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92n/an/an/an/an/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Displacement of [3H]DOB from rat 5HT2A receptor expressed in mouse NIH/3T3 cells after 30 mins by liquid scintillation counting analysis


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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620n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity against 5-hydroxytryptamine 2A receptor (K) labeled with [3H]-ketanserin.


J Med Chem 37: 1929-35 (1994)


BindingDB Entry DOI: 10.7270/Q2GQ6WT0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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1.33E+3n/an/an/an/an/an/an/an/a



Albany Medical College

Curated by PDSP Ki Database




Synapse 35: 144-50 (2000)


Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<144::AID-SYN7>3.0.CO;2-K
BindingDB Entry DOI: 10.7270/Q2ST7NDX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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1.60E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity using [3H]-MDL-100,907 at 5-hydroxytryptamine 2A receptor sites in rat cortical homogenate.


J Med Chem 42: 4257-63 (1999)


BindingDB Entry DOI: 10.7270/Q2FX78PW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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PubMed
n/an/a 9.5n/an/an/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [125I]DOI binding to 5HT2A receptor in rat cerebral cortex


J Med Chem 49: 318-28 (2006)


Article DOI: 10.1021/jm050663x
BindingDB Entry DOI: 10.7270/Q23B5ZQW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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n/an/an/an/a 462n/an/an/an/a



Alcon Research, Ltd.

Curated by ChEMBL


Assay Description
Activity against 5HT2A mediated intracellular calcium mobilization by FLIPR in rat vascular smooth muscle cells


J Med Chem 49: 318-28 (2006)


Article DOI: 10.1021/jm050663x
BindingDB Entry DOI: 10.7270/Q23B5ZQW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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n/an/an/an/a 1.80n/an/an/an/a


TBA

Assay Description
Agonist activity at 5HT2A receptor (unknown origin) expressed in HEK293 cells by FLIPR calcium flux assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00577
BindingDB Entry DOI: 10.7270/Q2Z89H7T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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n/an/an/an/a 1.80n/an/an/an/a


TBA

Assay Description
Agonist activity at 5-HT2A receptor (unknown origin) by calcium flux assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00129
BindingDB Entry DOI: 10.7270/Q23T9N3F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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WIPO WO2023019327
n/an/an/an/a<1.00E+4n/an/an/an/a


TBA

Assay Description
The dye is diluted with assay buffer (20mM HEPES in 1x HBSS, PH7.4); Probenecid was added to the final concentration of 5 mM; Hi. Vortexed vigorously...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QN6BNM
More data for this
Ligand-Target Pair