BDBM31043 3,6-dioxido-7-(p-tolyl)-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium::7-(4-methylphenyl)-3,6-bis(oxidanidyl)-4,5-dihydro-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium::7-(4-methylphenyl)-3,6-dioxido-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium::7-p-Tolyl-5,7-dihydro-4H-[1,2,3]triazolo[4',5':3,4]benzo[1,2-c][1,2,5]oxadiazole 3,6-dioxide::MLS000075614::SMR000010763::cid_650038

SMILES Cc1ccc(cc1)-n1nc2-c3n[o+]n([O-])c3CCc2[n+]1[O-]

InChI Key InChIKey=SXPJWROCUJCVRW-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 31043   

Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31043(3,6-dioxido-7-(p-tolyl)-4,5-dihydrotriazolo[4,5-e]...)
Affinity DataIC50:  3.26E+3nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31043(3,6-dioxido-7-(p-tolyl)-4,5-dihydrotriazolo[4,5-e]...)
Affinity DataIC50:  5.78E+3nMAssay Description:External Assay ID: S1P3_IC50_CS_5H1E_Antagonists Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31043(3,6-dioxido-7-(p-tolyl)-4,5-dihydrotriazolo[4,5-e]...)
Affinity DataIC50:  3.91E+3nMpH: 7.4 T: 2°CAssay Description:To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay