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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 = 'BDBM31054'   
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))
BDBM31054
PNG
((2E)-3,3,3-trifluoro-2-(4-keto-6-methyl-[1,3]oxath...)
Show SMILES COC(=O)C(=C1\Oc2cc(C)oc(=O)c2S1)\C(F)(F)F
Show InChI InChI=1S/C11H7F3O5S/c1-4-3-5-7(9(16)18-4)20-10(19-5)6(8(15)17-2)11(12,13)14/h3H,1-2H3/b10-6+
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.24E+3n/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