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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50541199'   
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))
BDBM50541199
PNG
(CHEMBL4632473)
Show SMILES CC1CN2CCNCc3cc(Cl)c(Cl)c1c23
Show InChI InChI=1S/C12H14Cl2N2/c1-7-6-16-3-2-15-5-8-4-9(13)11(14)10(7)12(8)16/h4,7,15H,2-3,5-6H2,1H3
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MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
58n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-1,4-Iodanyl-2,5-dimethoxyphenyl)propan-2amine from 5HT2A receptor (unknown origin)


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126929
BindingDB Entry DOI: 10.7270/Q28W3HT5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50541199
PNG
(CHEMBL4632473)
Show SMILES CC1CN2CCNCc3cc(Cl)c(Cl)c1c23
Show InChI InChI=1S/C12H14Cl2N2/c1-7-6-16-3-2-15-5-8-4-9(13)11(14)10(7)12(8)16/h4,7,15H,2-3,5-6H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.12E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Partial agonist activity at 5HT2A receptor (unknown origin)


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126929
BindingDB Entry DOI: 10.7270/Q28W3HT5
More data for this
Ligand-Target Pair