BDBM10849 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione::1,3,7-trimethyl-3,7-dihydropurine-2,6-dione::CHEMBL113::Caffeine (1,3,7-trimethylxanthine)::caffeine

SMILES Cn1cnc2n(C)c(=O)n(C)c(=O)c12

InChI Key InChIKey=RYYVLZVUVIJVGH-UHFFFAOYSA-N

Data  156 KI  49 IC50  3 Kd  3 EC50

PDB links: 54 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 10849   

TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Kyowa Hakko Kogyo

Curated by ChEMBL
LigandPNGBDBM10849(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Affinity DataKi:  2.70E+4nMAssay Description:Inhibition of [3H]5'-(N-ethylcarbamoyl)-adenosine binding to Adenosine A2 receptor in rat striatal membranes in the presence of 50 nM cyclopentyladen...More data for this Ligand-Target Pair
TargetAdenosine receptor A1(GUINEA PIG)
Kyowa Hakko Kogyo

Curated by ChEMBL
LigandPNGBDBM10849(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of [3H]-cyclohexyladenosine binding to guinea pig forebrain membranes Adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed