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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 = 'BDBM50301503'   
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))
BDBM50301503
PNG
(1-(3-(4-chloro-1-methyl-1H-pyrazol-5-yl)-4-(2-(pyr...)
Show SMILES Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCN1CCCC1 |(4.41,-24.98,;4.38,-26.52,;5.61,-27.45,;5.1,-28.91,;3.56,-28.87,;2.62,-30.1,;3.12,-27.4,;1.67,-26.88,;.34,-27.65,;-1,-26.88,;-2.33,-27.65,;-3.66,-26.88,;-3.67,-25.35,;-5,-27.66,;-6.33,-26.89,;-6.34,-25.34,;-7.67,-24.58,;-9,-25.35,;-10.33,-24.58,;-9,-26.89,;-7.67,-27.66,;-7.67,-29.2,;-1.01,-25.35,;.32,-24.57,;1.66,-25.34,;3,-24.56,;2.99,-23.03,;4.32,-22.25,;5.66,-23.02,;5.83,-24.54,;7.34,-24.85,;8.1,-23.52,;7.07,-22.38,)|
Show InChI InChI=1S/C23H24ClF2N5O2/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

DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.280n/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