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Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50081701'   
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))
BDBM50081701
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)
Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
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12n/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


(Rattus norvegicus (rat))
BDBM50081701
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)
Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
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25n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro binding to 5-hydroxytryptamine 2A receptor using [125 I]-DOI


J Med Chem 46: 3526-35 (2003)


Article DOI: 10.1021/jm030064v
BindingDB Entry DOI: 10.7270/Q20P0ZC1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50081701
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)
Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
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323n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]MDL100907 from 5HT2A receptor in Sprague-Dawley rat brain by liquid scintillation spectroscopy


Bioorg Med Chem 16: 4661-9 (2008)


Article DOI: 10.1016/j.bmc.2008.02.033
BindingDB Entry DOI: 10.7270/Q25D8RNZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50081701
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)
Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
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340n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46WX8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50081701
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)
Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
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390n/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


(Homo sapiens (Human))
BDBM50081701
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)
Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
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n/an/a 8.30n/an/an/an/an/an/a


TBA

Assay Description
Modulation of human 5HT2A expressed in HEK293T cells co-transfected with Galphaq-RLuc8, Ggamma1-GFP2 and Gbeta1 assessed as dissociation of Galphaq f...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00578
BindingDB Entry DOI: 10.7270/Q2BR8X3V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50081701
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)
Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
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n/an/a 112n/an/an/an/an/an/a


TBA

Assay Description
1. Culture the cells in cell culture medium (DMEM containing 10% FBS 1× penicillin-streptomycin 300 μg/ml G418 and 100 μg/ml hygromycin B) ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CC14MX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50081701
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)
Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
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n/an/a 352n/an/an/an/an/an/a


TBA

Assay Description
1. Culture the cells in cell culture medium (DMEM containing 10% FBS 1× penicillin-streptomycin 300 μg/ml G418 and 100 μg/ml hygromycin B) ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CC14MX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50081701
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)
Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
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n/an/a<500n/an/an/an/an/an/a


TBA

Assay Description
Table 2: i. Prepare the assay buffer following the table below;Reagent ConcentrationTris 50 mMCaCl2  4 mMBSA 0.1% (w/v)Adjust pH to 7.4 followe...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CJ8HQ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50081701
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)
Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
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n/an/a<500n/an/an/an/an/an/a


TBA

Assay Description
i. Prepare the assay buffer following the table below;Reagent ConcentrationTris 50 mMCaCl2  4 mMBSA 0.1% (w/v)Adjust pH to 7.4 followed by 0.2 ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K077JM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50081701
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)
Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
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n/an/a<500n/an/an/an/an/an/a


TBA

Assay Description
Table 2: i. Prepare the assay buffer following the table below;Reagent ConcentrationTris 50 mMCaCl2  4 mMBSA 0.1% (w/v)Adjust pH to 7.4 followe...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CJ8HQ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50081701
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)
Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
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n/an/a<500n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2G44V7B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50081701
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)
Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
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n/an/a<500n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2G44V7B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50081701
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)
Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
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n/an/a<1.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50081701
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)
Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
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n/an/an/an/a 75n/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from human 5-HT2A receptor incubated for 90 mins by scintillation counting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00467
BindingDB Entry DOI: 10.7270/Q2TT4VR2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50081701
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)
Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
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n/an/an/an/a 75n/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from human 5-HT2A receptor incubated for 90 mins by scintillation counting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00467
BindingDB Entry DOI: 10.7270/Q2TT4VR2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50081701
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)
Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
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n/an/an/an/a<1.00E+3n/an/an/an/a


TBA

Assay Description
i. Prepare the assay buffer following the table below;Reagent ConcentrationTris 50 mMCaCl2  4 mMBSA 0.1% (w/v)Adjust pH to 7.4 followed by 0.2 ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2K077JM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50081701
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)
Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
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n/an/an/an/a 6.5n/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


(Mus musculus (Mouse))
BDBM50081701
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)
Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
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n/an/an/an/a 9.80n/an/an/an/a



Usona Institute

Curated by ChEMBL


Assay Description
Agonist activity at mouse 5-HT2A receptor expressed in Flp-In T-REx 293 cells assessed as induction of Gq-mediated calcium flux incubated for 1 hr by...


J Nat Prod 83: 461-467 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01061
BindingDB Entry DOI: 10.7270/Q2RX9GM1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Mus musculus (Mouse))
BDBM50081701
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)
Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
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n/an/an/an/a 9.90n/an/an/an/a



Usona Institute

Curated by ChEMBL


Assay Description
Agonist activity at mouse 5-HT2A receptor expressed in Flp-In T-REx 293 cells assessed as induction of Gq-mediated calcium flux incubated for 1 hr by...


J Nat Prod 83: 461-467 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01061
BindingDB Entry DOI: 10.7270/Q2RX9GM1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50081701
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)
Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
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n/an/an/an/a 6.5n/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))
BDBM50081701
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)
Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
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n/an/an/an/a 4.30n/an/an/an/a



Usona Institute

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT2A receptor expressed in Flp-In T-REx 293 cells assessed as induction of Gq-mediated calcium flux incubated for 1 hr by...


J Nat Prod 83: 461-467 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01061
BindingDB Entry DOI: 10.7270/Q2RX9GM1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50081701
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)
Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
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n/an/an/an/a 24n/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Effective concentration required for accumulation of [3H]-inositol phosphate in cells stably expressing human 5-hydroxytryptamine 2A receptor determi...


Bioorg Med Chem Lett 15: 4555-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.104
BindingDB Entry DOI: 10.7270/Q2PZ58B5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50081701
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)
Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
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n/an/an/an/a<1.00E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00128
BindingDB Entry DOI: 10.7270/Q2KD22Z5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50081701
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)
Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
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n/an/an/an/a 2.30E+3n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Tested for its ability to activate phospholipase C by quantification of IP3 at cloned rat 5-hydroxytryptamine 2A receptor


J Med Chem 46: 3526-35 (2003)


Article DOI: 10.1021/jm030064v
BindingDB Entry DOI: 10.7270/Q20P0ZC1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50081701
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)
Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
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n/an/an/an/a<1.00E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00352
BindingDB Entry DOI: 10.7270/Q2CC14Q8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50081701
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-4-ol | 4-hydro...)
Show SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
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n/an/an/an/a 4.30n/an/an/an/a



Usona Institute

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT2A receptor expressed in Flp-In T-REx 293 cells assessed as induction of Gq-mediated calcium flux incubated for 1 hr by...


J Nat Prod 83: 461-467 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01061
BindingDB Entry DOI: 10.7270/Q2RX9GM1
More data for this
Ligand-Target Pair