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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50005267'   
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))
BDBM50005267
PNG
(2,5-dimethoxy-4-bromophenethylamine | 2-(4-Bromo-2...)
Show SMILES COc1cc(CCN)c(OC)cc1Br
Show InChI InChI=1S/C10H14BrNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3
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Article
PubMed
0.660n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of (+/-)-[125I]DOI from human cloned 5HT2A receptor


J Med Chem 49: 5794-803 (2006)


Article DOI: 10.1021/jm060656o
BindingDB Entry DOI: 10.7270/Q2NS0TH3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50005267
PNG
(2,5-dimethoxy-4-bromophenethylamine | 2-(4-Bromo-2...)
Show SMILES COc1cc(CCN)c(OC)cc1Br
Show InChI InChI=1S/C10H14BrNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3
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PubMed
1n/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))
BDBM50005267
PNG
(2,5-dimethoxy-4-bromophenethylamine | 2-(4-Bromo-2...)
Show SMILES COc1cc(CCN)c(OC)cc1Br
Show InChI InChI=1S/C10H14BrNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3
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KEGG

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CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents

PubMed
34n/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