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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50412720'   
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))
BDBM50412720
PNG
(CHEMBL461627)
Show SMILES COC(=O)c1coc2CC(CN3CCC(CC3)c3noc4cc(F)ccc34)CC(=O)c12
Show InChI InChI=1S/C23H23FN2O5/c1-29-23(28)17-12-30-20-9-13(8-18(27)21(17)20)11-26-6-4-14(5-7-26)22-16-3-2-15(24)10-19(16)31-25-22/h2-3,10,12-14H,4-9,11H2,1H3
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KEGG

DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.55n/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