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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 = 'BDBM114609'   
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


(Mus musculus (Mouse))
BDBM114609
PNG
(1-[3-(4-chlorophenoxy)benzyl]isonipecotic acid eth...)
Show SMILES CCOC(=O)C1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1
Show InChI InChI=1S/C21H24ClNO3/c1-2-25-21(24)17-10-12-23(13-11-17)15-16-4-3-5-20(14-16)26-19-8-6-18(22)7-9-19/h3-9,14,17H,2,10-13,15H2,1H3
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 7.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24B2ZZ6
More data for this
Ligand-Target Pair