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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 = 'BDBM50130085'   
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))
BDBM50130085
PNG
(9-Chloro-7-(2-ethoxy-phenyl)-2,3,4,5-tetrahydro-1H...)
Show SMILES CCOc1ccccc1-c1cc(Cl)cc2cc3CCNCCn3c12
Show InChI InChI=1S/C20H21ClN2O/c1-2-24-19-6-4-3-5-17(19)18-13-15(21)11-14-12-16-7-8-22-9-10-23(16)20(14)18/h3-6,11-13,22H,2,7-10H2,1H3
PDB
MMDB

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32n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor using [125I]-DOI radioligand.


Bioorg Med Chem Lett 13: 2369-72 (2003)


BindingDB Entry DOI: 10.7270/Q2B857GJ
More data for this
Ligand-Target Pair