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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A (5-HT1A)' and Ligand = 'BDBM31057'   
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 1A (5-HT1A)


(Homo sapiens (Human))
BDBM31057
PNG
((4E)-2-hydroxy-4-[3-(2-methoxyphenyl)-5H-[1,2,4]tr...)
Show SMILES COc1ccccc1-c1nnc2SCC(=Nn12)c1ccc(O)c(O)c1
Show InChI InChI=1S/C17H14N4O3S/c1-24-15-5-3-2-4-11(15)16-18-19-17-21(16)20-12(9-25-17)10-6-7-13(22)14(23)8-10/h2-8,22-23H,9H2,1H3
UniProtKB/SwissProt

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PCBioAssay
n/an/a 4.00E+4n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2S46Q8P
More data for this
Ligand-Target Pair