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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM269506'   
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))
BDBM269506
PNG
((4-(2-chlorophenethyl)piperazin-1- yl)(imidazo[1,2...)
Show SMILES Clc1ccccc1CCN1CCN(CC1)C(=O)c1cccn2ccnc12
Show InChI InChI=1S/C20H21ClN4O/c21-18-6-2-1-4-16(18)7-10-23-12-14-25(15-13-23)20(26)17-5-3-9-24-11-8-22-19(17)24/h1-6,8-9,11H,7,10,12-15H2
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PC sid
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US Patent
n/an/a 4n/an/an/an/a7.425



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays for human 5-HT2A serotonin receptor were conducted using the 5-HT2 agonist [125I]DOI as radioligand. To define nonspecific...


US Patent US10058549 (2018)


BindingDB Entry DOI: 10.7270/Q2BK1FC8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM269506
PNG
((4-(2-chlorophenethyl)piperazin-1- yl)(imidazo[1,2...)
Show SMILES Clc1ccccc1CCN1CCN(CC1)C(=O)c1cccn2ccnc12
Show InChI InChI=1S/C20H21ClN4O/c21-18-6-2-1-4-16(18)7-10-23-12-14-25(15-13-23)20(26)17-5-3-9-24-11-8-22-19(17)24/h1-6,8-9,11H,7,10,12-15H2
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Article
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n/an/a 4n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Modulator activity at 5-HT2A receptor (unknown origin)


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111569
BindingDB Entry DOI: 10.7270/Q2H41VXG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM269506
PNG
((4-(2-chlorophenethyl)piperazin-1- yl)(imidazo[1,2...)
Show SMILES Clc1ccccc1CCN1CCN(CC1)C(=O)c1cccn2ccnc12
Show InChI InChI=1S/C20H21ClN4O/c21-18-6-2-1-4-16(18)7-10-23-12-14-25(15-13-23)20(26)17-5-3-9-24-11-8-22-19(17)24/h1-6,8-9,11H,7,10,12-15H2
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Article
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n/an/a 4n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Modulator activity at 5-HT2A receptor (unknown origin)


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111569
BindingDB Entry DOI: 10.7270/Q2H41VXG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM269506
PNG
((4-(2-chlorophenethyl)piperazin-1- yl)(imidazo[1,2...)
Show SMILES Clc1ccccc1CCN1CCN(CC1)C(=O)c1cccn2ccnc12
Show InChI InChI=1S/C20H21ClN4O/c21-18-6-2-1-4-16(18)7-10-23-12-14-25(15-13-23)20(26)17-5-3-9-24-11-8-22-19(17)24/h1-6,8-9,11H,7,10,12-15H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/a7.425



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays for human 5-HT2A serotonin receptor were conducted using the 5-HT2 agonist [125I]DOI as radioligand. To define nonspecific...


US Patent US9567327 (2017)


BindingDB Entry DOI: 10.7270/Q2639RSB
More data for this
Ligand-Target Pair