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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50222218'   
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))
BDBM50222218
PNG
(CHEBI:51137 | Mianserin)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3
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Article
PubMed
1.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting met...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112149
BindingDB Entry DOI: 10.7270/Q2GX4G68
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50222218
PNG
(CHEBI:51137 | Mianserin)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3
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Article
PubMed
2n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in CHO-K1 cell membranes after 60 mins by microbeta scintillation counting analy...


Bioorg Med Chem 26: 527-535 (2018)


Article DOI: 10.1016/j.bmc.2017.12.016
BindingDB Entry DOI: 10.7270/Q2DF6TTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50222218
PNG
(CHEBI:51137 | Mianserin)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3
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2.20n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting method


Eur J Med Chem 137: 108-116 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.047
BindingDB Entry DOI: 10.7270/Q24B33TF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50222218
PNG
(CHEBI:51137 | Mianserin)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3
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2.80n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in HEK293 cells incubated for 1.5 hrs by Cheng-Prusoff analysis based microbeta sc...


Eur J Med Chem 180: 383-397 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.027
BindingDB Entry DOI: 10.7270/Q23B63H7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50222218
PNG
(CHEBI:51137 | Mianserin)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3
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Article
PubMed
2.80n/an/an/an/an/an/an/an/a



Medical University of Warsaw

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from recombinant human 5HT2A receptor expressed in HEK293 cells measured after 1.5 hrs by microbeta scintillation cou...


Eur J Med Chem 166: 144-158 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.031
BindingDB Entry DOI: 10.7270/Q2M61PPW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50222218
PNG
(CHEBI:51137 | Mianserin)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3
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3.20n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from recombinant human 5-HT2A receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation counti...


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


(Rattus norvegicus (rat))
BDBM50222218
PNG
(CHEBI:51137 | Mianserin)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3
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3.5n/an/an/an/an/an/an/an/a



The Medical University of Warsaw



Assay Description
Radioligand receptor binding studies were conducted in the rat brain.


Medicinal Chemistry Research 17: 507-514 (2008)


BindingDB Entry DOI: 10.7270/Q2Z036S7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50222218
PNG
(CHEBI:51137 | Mianserin)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3
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Article
PubMed
18n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-ketanserin from rat cerebral cortex 5HT2A receptor measured after 20 mins by liquid scintillation counter method


Citation and Details

Article DOI: 10.1016/j.bmc.2016.06.038
BindingDB Entry DOI: 10.7270/Q2Q52T9K
More data for this
Ligand-Target Pair