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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 = 'BDBM114629'   
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))
BDBM114629
PNG
(2-methoxy-N-[2-(4-phenyl-1-piperazinyl)ethyl]benza...)
Show SMILES COc1ccccc1C(=O)NCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H25N3O2/c1-25-19-10-6-5-9-18(19)20(24)21-11-12-22-13-15-23(16-14-22)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,21,24)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

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