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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 = 'BDBM50320372'   
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))
BDBM50320372
PNG
((E)-2-(4-(2,4-difluorostyryl)phenylsulfonyl)benzam...)
Show SMILES NC(=O)c1ccccc1S(=O)(=O)c1ccc(\C=C\c2ccc(F)cc2F)cc1
Show InChI InChI=1S/C21H15F2NO3S/c22-16-10-9-15(19(23)13-16)8-5-14-6-11-17(12-7-14)28(26,27)20-4-2-1-3-18(20)21(24)25/h1-13H,(H2,24,25)/b8-5+
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
0.650n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme

Curated by ChEMBL


Assay Description
Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells


Bioorg Med Chem Lett 20: 3708-12 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.090
BindingDB Entry DOI: 10.7270/Q2RX9C89
More data for this
Ligand-Target Pair