BDBM54230 8-(1,3-benzoxazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione::8-(1,3-benzoxazol-2-ylthio)-3-methyl-7-(3-methylbutyl)purine-2,6-dione::8-(1,3-benzoxazol-2-ylthio)-7-isoamyl-3-methyl-xanthine::8-(Benzooxazol-2-ylsulfanyl)-3-methyl-7-(3-methyl-butyl)-3,7-dihydro-purine-2,6-dione::MLS000566582::SMR000174265::cid_3097626

SMILES CC(C)CCn1c(Sc2nc3ccccc3o2)nc2n(C)c(=O)[nH]c(=O)c12

InChI Key InChIKey=FNGLLPPNVFOTGL-UHFFFAOYSA-N

Data  2 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 3 hits for monomerid = 54230   

TargetNucleotide-binding oligomerization domain-containing protein 2(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54230(8-(Benzooxazol-2-ylsulfanyl)-3-methyl-7-(3-methyl-...)
Affinity DataIC50: 5.79E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
TargetTumor necrosis factor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54230(8-(Benzooxazol-2-ylsulfanyl)-3-methyl-7-(3-methyl-...)
Affinity DataIC50: 7.89E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54230(8-(Benzooxazol-2-ylsulfanyl)-3-methyl-7-(3-methyl-...)
Affinity DataEC50:  2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2011
Entry Details
PCBioAssay