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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 = 'BDBM50205802'   
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))
BDBM50205802
PNG
(2-(4-fluorophenethyl)-5-(4-fluorophenylsulfonyl)py...)
Show SMILES Fc1ccc(CCc2ccc(cn2)S(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H15F2NO2S/c20-15-4-1-14(2-5-15)3-8-17-9-12-19(13-22-17)25(23,24)18-10-6-16(21)7-11-18/h1-2,4-7,9-13H,3,8H2
PDB
MMDB

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PC cid
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Article
PubMed
23n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2643-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.098
BindingDB Entry DOI: 10.7270/Q2F47PZH
More data for this
Ligand-Target Pair