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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 = 'BDBM50382173'   
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))
BDBM50382173
PNG
(CHEMBL2022157)
Show SMILES CCN(CC)CCOC(=O)[C@H](C[C@H]1CCCO1)Cc1cccc2ccccc12 |r|
Show InChI InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3/t21-,22+/m0/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
145n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 22: 3441-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.093
BindingDB Entry DOI: 10.7270/Q2W37XB1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50382173
PNG
(CHEMBL2022157)
Show SMILES CCN(CC)CCOC(=O)[C@H](C[C@H]1CCCO1)Cc1cccc2ccccc12 |r|
Show InChI InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3/t21-,22+/m0/s1
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
150n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 22: 3441-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.093
BindingDB Entry DOI: 10.7270/Q2W37XB1
More data for this
Ligand-Target Pair