BDBM34638 1-(2,4-dimethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidine-2,5-dione::1-(2,4-dimethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-dione::1-(2,4-dimethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-quinone::MLS000112850::SMR000108758::cid_2918437

SMILES COc1ccc(c(OC)c1)-n1c(O)cc(Sc2nnc[nH]2)c1O

InChI Key InChIKey=QQKXUCDPMXFLAI-UHFFFAOYSA-N

Data  1 IC50  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 34638   

TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM34638(1-(2,4-dimethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylth...)
Affinity DataEC50:  4.91E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/28/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM34638(1-(2,4-dimethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylth...)
Affinity DataEC50:  1.64E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/28/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM34638(1-(2,4-dimethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylth...)
Affinity DataEC50:  1.67E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2011
Entry Details
PCBioAssay
TargetMannose-6-phosphate isomerase(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34638(1-(2,4-dimethoxyphenyl)-3-(1H-1,2,4-triazol-5-ylth...)
Affinity DataIC50: 5.00E+4nMpH: 7.4 T: 2°CAssay Description:The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2009
Entry Details
PCBioAssay