BDBM67403 7-butyl-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione::7-butyl-3-methyl-8-(3-phenylpropylthio)purine-2,6-dione::7-butyl-3-methyl-8-(3-phenylpropylthio)xanthine::MLS-0435652.0001::cid_3123424

SMILES CCCCn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12

InChI Key InChIKey=BNPXHNITLJSHOQ-UHFFFAOYSA-N

Data  3 IC50

  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 3 hits for monomerid = 67403   

TargetNucleotide-binding oligomerization domain-containing protein 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM67403(7-butyl-3-methyl-8-(3-phenylpropylsulfanyl)purine-...)
Affinity DataIC50: >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 DepthDetails PCBioAssay
TargetTumor necrosis factor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM67403(7-butyl-3-methyl-8-(3-phenylpropylsulfanyl)purine-...)
Affinity DataIC50:  1.77E+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 DepthDetails PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 2(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM67403(7-butyl-3-methyl-8-(3-phenylpropylsulfanyl)purine-...)
Affinity DataIC50:  1.19E+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 DepthDetails PCBioAssay