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Compile Data Set for Download or QSAR

Found 12353 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A'   
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


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 0.270n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2A receptor expressed in Flp-In-293 cells assessed as increase in calcium influx measured for 300 secs by Fl...


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111626
BindingDB Entry DOI: 10.7270/Q24J0JG8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 0.275n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2A receptor expressed in Flp-In-293 cells assessed as increase in calcium influx measured for 300 secs by Fl...


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111626
BindingDB Entry DOI: 10.7270/Q24J0JG8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 0.347n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 0.350n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50596862
PNG
(CHEMBL5198213)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(O)cc32)c(O)c1
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n/an/an/an/a 0.490n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50596862
PNG
(CHEMBL5198213)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(O)cc32)c(O)c1
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n/an/an/an/a 0.5n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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n/an/an/an/a 0.503n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobilization assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 0.510n/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))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 0.513n/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


(Mus musculus (Mouse))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 0.525n/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))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 0.530n/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))
BDBM50307812
PNG
(1-[3-(4-Bromo-2-methyl-2Hpyrazol-3-yl)-4-methoxyph...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1c(Br)cnn1C |(3.23,5.95,;3.24,4.41,;1.91,3.64,;.56,4.41,;-.76,3.63,;-.76,2.1,;-2.09,1.32,;-3.42,2.09,;-3.43,3.63,;-4.76,1.32,;-6.09,2.09,;-7.43,1.32,;-8.76,2.09,;-8.76,3.63,;-10.09,4.4,;-7.43,4.4,;-6.1,3.64,;.58,1.33,;1.91,2.1,;3.24,1.33,;3.4,-.2,;2.25,-1.22,;4.9,-.51,;5.67,.82,;4.64,1.96,;4.95,3.47,)|
Show InChI InChI=1S/C18H16BrClN4O2/c1-24-17(15(19)10-21-24)14-9-13(7-8-16(14)26-2)23-18(25)22-12-5-3-11(20)4-6-12/h3-10H,1-2H3,(H2,22,23,25)
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n/an/an/an/a 0.700n/an/an/an/a



Arena Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Activity at human 5HT2A receptor expressed in HEK293 cells assessed as [3H]inositol phosphate production by scintillation counting


J Med Chem 53: 1923-36 (2010)


Article DOI: 10.1021/jm9007328
BindingDB Entry DOI: 10.7270/Q24B31FP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 1.10n/an/an/an/a


TBA

Assay Description
Agonist activity at human 5HT2A receptor expressed in CHO-K1 cells by calcium 4 dye based FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112709
BindingDB Entry DOI: 10.7270/Q2XK8K6M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50403163
PNG
(OXITRIPTAN)
Show SMILES N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(O)=O
Show InChI InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1
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n/an/an/an/a 1.30n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2A receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay


J Med Chem 59: 578-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01153
BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50403163
PNG
(OXITRIPTAN)
Show SMILES N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(O)=O
Show InChI InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1
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n/an/an/an/a 1.35n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2A receptor expressed in Flp-In-293 cells assessed as calcium flux by FLIPR assay


J Med Chem 59: 578-91 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01153
BindingDB Entry DOI: 10.7270/Q28C9Z4P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50596934
PNG
(CHEMBL5200026)
Show SMILES Oc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
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n/an/an/an/a 1.5n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50596934
PNG
(CHEMBL5200026)
Show SMILES Oc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 1.60n/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at serotonin 5-HT2A receptor (unknown origin) expressed in HEK293 cells assessed as induction of calcium flux after 60 mins by calci...


J Med Chem 61: 10017-10039 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01096
BindingDB Entry DOI: 10.7270/Q2NS0XK7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50596945
PNG
(CHEMBL5207529)
Show SMILES Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
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n/an/an/an/a 1.70n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50596945
PNG
(CHEMBL5207529)
Show SMILES Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
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n/an/an/an/a 1.70n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
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))
BDBM50593194
PNG
(CHEMBL5184791)
Show SMILES COc1cc(C#N)c(OC)cc1CCNCc1ccccc1O
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n/an/an/an/a 1.90n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 1.90n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT2A receptor expressed in HEK293 cells assessed as calcium flux by FLIPR assay


J Med Chem 58: 1992-2002 (2015)


Article DOI: 10.1021/jm5019274
BindingDB Entry DOI: 10.7270/Q2BC4181
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50593195
PNG
(CHEMBL5170895)
Show SMILES COc1ccccc1CNCCc1cc(OC)c(cc1OC)C#N
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n/an/an/an/a 1.90n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00702
BindingDB Entry DOI: 10.7270/Q2WD44J5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50014945
PNG
(3-(2-aminopropyl)-1H-indol-5-ol | CHEMBL275854 | a...)
Show SMILES CC(N)Cc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C11H14N2O/c1-7(12)4-8-6-13-11-3-2-9(14)5-10(8)11/h2-3,5-7,13-14H,4,12H2,1H3
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n/an/an/an/a 2n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT2A receptor expressed in CHO-K1 cells co-expressing Galpha16 assessed as increase in calcium mobilization measured for ...


Bioorg Med Chem Lett 28: 2039-2049 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.059
BindingDB Entry DOI: 10.7270/Q2CJ8H4K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 2.30n/an/an/an/a


TBA

Assay Description
Agonist activity at human 5-HT2A receptor expressed in human Flp-In-293 cells assessed as induction of calcium flux incubated for 1 hr by Fluo-4 dire...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28P6455
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 2.30n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT2A receptor expressed in Flp-IN HEK293 cells assessed as induction of calcium flux measured every second for 5 mins by ...


J Med Chem 60: 6273-6288 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00584
BindingDB Entry DOI: 10.7270/Q2MK6G5C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 2.40n/an/an/an/a


TBA

Assay Description
Agonist activity at human 5-HT2A receptor expressed in human Flp-In-293 cells assessed as induction of calcium flux incubated for 1 hr by Fluo-4 dire...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28P6455
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 2.40n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT2A receptor expressed in Flp-IN HEK293 cells assessed as induction of calcium flux measured every second for 5 mins by ...


J Med Chem 60: 6273-6288 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00584
BindingDB Entry DOI: 10.7270/Q2MK6G5C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM30853
PNG
(2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochlor...)
Show SMILES NCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C10H11FN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
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n/an/an/an/a 2.60n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobilization assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 2.60n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as induction of intracellular calcium release measured for 90 secs by flu...


J Med Chem 56: 1211-27 (2013)


Article DOI: 10.1021/jm301656h
BindingDB Entry DOI: 10.7270/Q2ZP47GW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50515731
PNG
(CHEMBL4466591)
Show SMILES Cl.NC[C@H]1C[C@]1(F)c1cccc(F)c1 |r|
Show InChI InChI=1S/C10H11F2N.ClH/c11-9-3-1-2-7(4-9)10(12)5-8(10)6-13;/h1-4,8H,5-6,13H2;1H/t8-,10+;/m1./s1
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n/an/an/an/a 2.69n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2A receptor expressed in Flp-In-293 cells assessed as increase in calcium influx measured for 300 secs by Fl...


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111626
BindingDB Entry DOI: 10.7270/Q24J0JG8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50098525
PNG
(2-(8-Bromo-benzo[1,2-b;4,5-b']difuran-4-yl)-1-meth...)
Show SMILES C[C@@H]([NH3+])Cc1c2ccoc2c(Br)c2ccoc12
Show InChI InChI=1S/C13H12BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h2-5,7H,6,15H2,1H3/p+1/t7-/m1/s1
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n/an/an/an/a 2.70n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Ability to stimulate phosphoinositide hydrolysis in NIH3T3 cells expressing the 5-hydroxytryptamine 2A receptor


J Med Chem 44: 1003-10 (2001)


BindingDB Entry DOI: 10.7270/Q27P8XND
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50515731
PNG
(CHEMBL4466591)
Show SMILES Cl.NC[C@H]1C[C@]1(F)c1cccc(F)c1 |r|
Show InChI InChI=1S/C10H11F2N.ClH/c11-9-3-1-2-7(4-9)10(12)5-8(10)6-13;/h1-4,8H,5-6,13H2;1H/t8-,10+;/m1./s1
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n/an/an/an/a 2.70n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5HT2A receptor expressed in Flp-In-293 cells assessed as increase in calcium influx measured for 300 secs by Fl...


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111626
BindingDB Entry DOI: 10.7270/Q24J0JG8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50593194
PNG
(CHEMBL5184791)
Show SMILES COc1cc(C#N)c(OC)cc1CCNCc1ccccc1O
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n/an/an/an/a 2.80n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00702
BindingDB Entry DOI: 10.7270/Q2WD44J5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 3n/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50334405
PNG
(10-[3-(4-Fluoro-phenoxy)-azetidin-1-yl]-6,7,8,9-te...)
Show SMILES Fc1ccc(OC2CN(C2)c2c3CCNCCc3nc3ccnn23)cc1
Show InChI InChI=1S/C19H20FN5O/c20-13-1-3-14(4-2-13)26-15-11-24(12-15)19-16-5-8-21-9-6-17(16)23-18-7-10-22-25(18)19/h1-4,7,10,15,21H,5-6,8-9,11-12H2
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n/an/an/an/a 3n/an/an/an/a



Evotec UK Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant 5HT2A receptor expressed in CHOK1 cells assessed as induction of intracellular calcium release by FLIPR assay


Bioorg Med Chem Lett 21: 34-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.089
BindingDB Entry DOI: 10.7270/Q2CR5TMH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50596937
PNG
(CHEMBL5204071)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1
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n/an/an/an/a 3.20n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50596937
PNG
(CHEMBL5204071)
Show SMILES COc1ccc(C2NCCc3c2[nH]c2ccc(F)cc32)c(O)c1
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n/an/an/an/a 3.20n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50210089
PNG
((R)-2-(8-methoxymethyl-benzo[1,2-b;4,5-b']difuran-...)
Show SMILES COCc1c2ccoc2c(C[C@@H](C)N)c2ccoc12
Show InChI InChI=1S/C15H17NO3/c1-9(16)7-12-10-3-5-19-15(10)13(8-17-2)11-4-6-18-14(11)12/h3-6,9H,7-8,16H2,1-2H3/t9-/m1/s1
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n/an/an/an/a 3.60n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor in rat A7r5 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50596867
PNG
(CHEMBL5178632)
Show SMILES Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(O)cc21
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n/an/an/an/a 3.80n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50098530
PNG
(1-Methyl-2-(8-trifluoromethyl-benzo[1,2-b;4,5-b']d...)
Show SMILES C[C@@H]([NH3+])Cc1c2ccoc2c(c2ccoc12)C(F)(F)F
Show InChI InChI=1S/C14H12F3NO2/c1-7(18)6-10-8-2-4-20-13(8)11(14(15,16)17)9-3-5-19-12(9)10/h2-5,7H,6,18H2,1H3/p+1/t7-/m1/s1
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n/an/an/an/a 3.80n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Ability to stimulate phosphoinositide hydrolysis in NIH3T3 cells expressing the 5-hydroxytryptamine 2A receptor


J Med Chem 44: 1003-10 (2001)


BindingDB Entry DOI: 10.7270/Q27P8XND
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50596867
PNG
(CHEMBL5178632)
Show SMILES Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(O)cc21
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n/an/an/an/a 4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI: 10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50331286
PNG
(2-(5-chloro-1H-indol-3-yl)ethanamine | 5-Cl-T | CH...)
Show SMILES NCCc1c[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C10H11ClN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
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n/an/an/an/a 4.10n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobilization assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
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 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))
BDBM50241050
PNG
(2-(6-fluoro-1H-indol-3-yl)ethanamine | 6-fluorotry...)
Show SMILES NCCc1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C10H11FN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3-4,12H2
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n/an/an/an/a 4.60n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobilization assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50097677
PNG
(CHEMBL3589582)
Show SMILES COc1cc(CCNCc2cccc3CCOc23)c(OC)cc1Br
Show InChI InChI=1S/C19H22BrNO3/c1-22-17-11-16(20)18(23-2)10-14(17)6-8-21-12-15-5-3-4-13-7-9-24-19(13)15/h3-5,10-11,21H,6-9,12H2,1-2H3
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n/an/an/an/a 4.60n/an/an/a25



University of Copenhagen

Curated by ChEMBL


Assay Description
Partial agonist activity at human 5-HT2A receptor expressed in HEK293 cells preincubated for 1 hr at 37 degC followed by incubated for 15 mins at roo...


Bioorg Med Chem 23: 3933-7 (2015)


Article DOI: 10.1016/j.bmc.2014.12.011
BindingDB Entry DOI: 10.7270/Q2VX0J8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50331288
PNG
(2-(5-bromo-1H-indol-3-yl)ethanamine | 5-Br-T | CHE...)
Show SMILES NCCc1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C10H11BrN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
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n/an/an/an/a 5.10n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor (unknown origin) by cell based calcium mobilization assay


Bioorg Med Chem Lett 24: 4754-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.062
BindingDB Entry DOI: 10.7270/Q2416ZNK
More data for this
Ligand-Target Pair
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