BDBM50014260 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione::3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione::3,7-dimethylpurine-2,6-dione::3,7-dimethylxanthine::CHEMBL1114::Theobromin::theobromine

SMILES Cn1cnc2n(C)c(=O)[nH]c(=O)c12

InChI Key InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N

Data  13 KI  5 IC50

PDB links: 4 PDB IDs match this monomer.

  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 = 50014260   

TargetAdenosine receptor A3(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50014260(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)
Affinity DataKi:  1.03E+5nMAssay Description:Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from chicken liverMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50014260(3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione | 3,7...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibitory activity against dihydrofolate reductase (DHFR) enzyme from Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed