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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 = 'BDBM31043'   
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))
BDBM31043
PNG
(3,6-dioxido-7-(p-tolyl)-4,5-dihydrotriazolo[4,5-e]...)
Show SMILES Cc1ccc(cc1)-n1nc2-c3n[o+]n([O-])c3CCc2[n+]1[O-]
Show InChI InChI=1S/C13H11N5O3/c1-8-2-4-9(5-3-8)16-14-12-10(17(16)19)6-7-11-13(12)15-21-18(11)20/h2-5H,6-7H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.26E+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