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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 = 'BDBM50169845'   
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))
BDBM50169845
PNG
(1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(4-py...)
Show SMILES Fc1ccc(CCN2CCC(F)(CC2)S(=O)(=O)c2ccc(cc2)-n2cccn2)c(F)c1
Show InChI InChI=1S/C22H22F3N3O2S/c23-18-3-2-17(21(24)16-18)8-13-27-14-9-22(25,10-15-27)31(29,30)20-6-4-19(5-7-20)28-12-1-11-26-28/h1-7,11-12,16H,8-10,13-15H2
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PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity against human 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 15: 3665-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.104
BindingDB Entry DOI: 10.7270/Q2HM580P
More data for this
Ligand-Target Pair