BDBM39269 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-hydroxyethylthio)methyl]-4-triazolecarboxylic acid methyl ester::1-(4-aminofurazan-3-yl)-5-[(2-hydroxyethylthio)methyl]triazole-4-carboxylic acid methyl ester::MLS000052826::SMR000082271::cid_2980593::methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-hydroxyethylsulfanylmethyl)triazole-4-carboxylate::methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(2-hydroxyethyl)thio]methyl}-1H-1,2,3-triazole-4-carboxylate::methyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(2-hydroxyethylsulfanylmethyl)-1,2,3-triazole-4-carboxylate

SMILES COC(=O)c1nnn(c1CSCCO)-c1nonc1N

InChI Key InChIKey=CIKNZEUTTJMTSR-UHFFFAOYSA-N

Data  1 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 39269   

TargetGlycogen synthase kinase-3 beta(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM39269(methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(2-hyd...)
Affinity DataEC50:  6.22E+3nMAssay Description:Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/29/2011
Entry Details
PCBioAssay
TargetRho-associated protein kinase 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM39269(methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(2-hyd...)
Affinity DataIC50: 5.96E+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:
4/30/2011
Entry Details
PCBioAssay