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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 = 'BDBM50301502'   
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))
BDBM50301502
PNG
(1-(3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-4-(2-(pyrr...)
Show SMILES Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCN1CCCC1 |(28.77,-15.18,;28.73,-16.71,;29.96,-17.65,;29.45,-19.1,;27.91,-19.07,;26.98,-20.29,;27.47,-17.59,;26.02,-17.07,;24.69,-17.84,;23.36,-17.07,;22.03,-17.85,;20.69,-17.08,;20.69,-15.54,;19.36,-17.85,;18.03,-17.08,;18.02,-15.53,;16.69,-14.77,;15.36,-15.54,;14.02,-14.77,;15.35,-17.08,;16.69,-17.85,;16.69,-19.39,;23.35,-15.54,;24.68,-14.76,;26.02,-15.53,;27.35,-14.76,;27.35,-13.22,;28.68,-12.44,;30.02,-13.21,;30.19,-14.73,;31.69,-15.05,;32.46,-13.71,;31.42,-12.57,)|
Show InChI InChI=1S/C23H24BrF2N5O2/c1-30-22(18(24)14-27-30)17-13-16(5-7-21(17)33-11-10-31-8-2-3-9-31)28-23(32)29-20-6-4-15(25)12-19(20)26/h4-7,12-14H,2-3,8-11H2,1H3,(H2,28,29,32)
Reactome pathway
KEGG

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.180n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair