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  44 IC50  3 Kd  2 EC50

PDB links: 54 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 10849   

TargetGlycogen phosphorylase, muscle form(Oryctolagus cuniculus (rabbit))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM10849(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Affinity DataIC50:  7.53E+4nMAssay Description:Inhibition of rabbit muscle glycogen phosphorylase assessed as release of phosphate from glucose-1-phosphate after 25 minsMore data for this Ligand-Target Pair
TargetGlycogen phosphorylase, muscle form(Oryctolagus cuniculus (rabbit))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM10849(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Affinity DataIC50:  7.53E+4nMAssay Description:Inhibition of rabbit muscle glycogen phosphorylase a assessed as release of phosphate from glucose-1-phosphate after 25 mins using malachite green st...More data for this Ligand-Target Pair
TargetGlycogen phosphorylase, muscle form(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM10849(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Affinity DataIC50:  1.14E+5nMAssay Description:Inhibitory concentration against rabbit muscle glycogen phosphorylaseMore data for this Ligand-Target Pair
TargetGlycogen phosphorylase, liver form(Rattus norvegicus)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM10849(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Affinity DataIC50:  6.48E+5nMAssay Description:Inhibitory concentration against rat liver glycogen phosphorylaseMore data for this Ligand-Target Pair
TargetGlycogen phosphorylase, muscle form(Oryctolagus cuniculus (rabbit))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM10849(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Affinity DataIC50:  8.31E+4nMAssay Description:Inhibition of rabbit muscle glycogen phosphorylase a assessed as glycogen synthesisMore data for this Ligand-Target Pair