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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 = 'BDBM50301506'   
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))
BDBM50301506
PNG
(1-(3-(4-chloro-1-methyl-1H-pyrazol-5-yl)-4-(2-morp...)
Show SMILES Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(F)cc2F)ccc1OCCN1CCOCC1 |(27.36,-35.94,;27.33,-37.48,;28.56,-38.41,;28.05,-39.87,;26.51,-39.83,;25.57,-41.06,;26.07,-38.36,;24.62,-37.84,;23.29,-38.61,;21.95,-37.84,;20.62,-38.61,;19.29,-37.85,;19.29,-36.31,;17.96,-38.62,;16.62,-37.85,;16.61,-36.3,;15.28,-35.54,;13.95,-36.31,;12.62,-35.54,;13.95,-37.85,;15.28,-38.62,;15.28,-40.16,;21.95,-36.31,;23.27,-35.53,;24.62,-36.3,;25.95,-35.53,;25.94,-33.99,;27.28,-33.21,;28.61,-33.97,;29.37,-35.3,;30.89,-35.31,;31.67,-33.99,;30.9,-32.66,;29.37,-32.65,)|
Show InChI InChI=1S/C23H24ClF2N5O3/c1-30-22(18(24)14-27-30)17-13-16(28-23(32)29-20-4-2-15(25)12-19(20)26)3-5-21(17)34-11-8-31-6-9-33-10-7-31/h2-5,12-14H,6-11H2,1H3,(H2,28,29,32)
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.150n/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