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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 = 'BDBM50409500'   
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))
BDBM50409500
PNG
(CHEMBL164471 | QF-0703B)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCC2CCc3occc3C2=O)CC1
Show InChI InChI=1S/C22H23FN2O3/c23-16-2-3-17-20(13-16)28-24-21(17)14-5-9-25(10-6-14)11-7-15-1-4-19-18(22(15)26)8-12-27-19/h2-3,8,12-15H,1,4-7,9-11H2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.562n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned 5HT2A receptor


J Med Chem 51: 6085-94 (2008)


Article DOI: 10.1021/jm800602w
BindingDB Entry DOI: 10.7270/Q2571D72
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50409500
PNG
(CHEMBL164471 | QF-0703B)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCC2CCc3occc3C2=O)CC1
Show InChI InChI=1S/C22H23FN2O3/c23-16-2-3-17-20(13-16)28-24-21(17)14-5-9-25(10-6-14)11-7-15-1-4-19-18(22(15)26)8-12-27-19/h2-3,8,12-15H,1,4-7,9-11H2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.724n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human cloned 5HT2A receptor


J Med Chem 51: 6085-94 (2008)


Article DOI: 10.1021/jm800602w
BindingDB Entry DOI: 10.7270/Q2571D72
More data for this
Ligand-Target Pair