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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

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 31043   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1A


(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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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
Sphingosine 1-phosphate receptor 3


(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
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5.78E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
External Assay ID: S1P3_IC50_CS_5H1E_Antagonists Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2D50KC1
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3.91E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair