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 14 hits for monomerid = 10849   

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

LigandPNGBDBM10849(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Affinity DataIC50:  1.14E+5nMpH: 7.2 T: 2°CAssay Description:The activity of the compounds is determined by measuring the inhibitory effect of the compounds in the direction of glycogen synthesis, the conversio...More data for this Ligand-Target Pair
TargetGlycogen phosphorylase, muscle form(Oryctolagus cuniculus (rabbit))
China Pharmaceutical University

LigandPNGBDBM10849(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Affinity DataIC50:  1.44E+5nMpH: 7.2 T: 2°CAssay Description:Rabbit muscle glycogen phosphorylase a (RMGPa) activity was measured by the release of phosphate from glucose-1-phosphate at 655 nm. Each compound wa...More data for this Ligand-Target Pair
TargetGlycogen phosphorylase, muscle form(Oryctolagus cuniculus (rabbit))
China Pharmaceutical University

LigandPNGBDBM10849(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Affinity DataIC50:  1.14E+5nMAssay Description:Inhibitory activity against rabbit muscle GPaMore data for this Ligand-Target Pair
TargetGlycogen phosphorylase, muscle form(Oryctolagus cuniculus (rabbit))
China Pharmaceutical University

LigandPNGBDBM10849(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Affinity DataIC50:  2.29E+5nMAssay Description:Inhibition of rabbit muscle glycogen phosphorylase-a assessed as formation of inorganic phosphate from glucose-1-phosphate by colorimetryMore data for this Ligand-Target Pair
TargetGlycogen phosphorylase, muscle form(Oryctolagus cuniculus (rabbit))
China Pharmaceutical University

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

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 aMore data for this Ligand-Target Pair
TargetGlycogen phosphorylase, muscle form(Oryctolagus cuniculus (rabbit))
China Pharmaceutical University

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

LigandPNGBDBM10849(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Affinity DataIC50:  1.14E+5nMAssay Description:Inhibition of rabbit muscle GPaMore data for this Ligand-Target Pair
TargetGlycogen phosphorylase, muscle form(Oryctolagus cuniculus (rabbit))
China Pharmaceutical University

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

LigandPNGBDBM10849(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Affinity DataIC50:  7.49E+4nMAssay Description:Inhibition of rabbit muscle glycogen phosphorylase A 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

LigandPNGBDBM10849(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Affinity DataIC50:  1.00E+5nMAssay Description:Binding affinity to rabbit muscular GPa,b by NMR binding assayMore data for this Ligand-Target Pair
TargetGlycogen phosphorylase, muscle form(Rattus norvegicus)
Griffith University

Curated by ChEMBL
LigandPNGBDBM10849(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Affinity DataIC50:  1.82E+5nMAssay Description:Inhibition of rat muscle glycogen phosphorylase A assessed as release of inorganic phosphate from glucose-1- phosphate in presence of glycogen after ...More data for this Ligand-Target Pair
TargetGlycogen phosphorylase, muscle form(Oryctolagus cuniculus (rabbit))
China Pharmaceutical University

LigandPNGBDBM10849(1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)
Affinity DataIC50:  6.48E+5nMAssay Description:Inhibition of rabbit muscle glycogen phosphorylase a assessed as inhibition of release of phosphate from glucose-1-phosphate after 30 mins by spectro...More data for this Ligand-Target Pair