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 Cn1cnc2c1C(=O)N(C(=O)N2C)C
InChI Key InChIKey=RYYVLZVUVIJVGH-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 216 hits for monomerid = 10849
TargetNAD-dependent protein deacetylase sirtuin-3, mitochondrial(Human)
Sapienza University of Rome
Curated by ChEMBL
Sapienza University of Rome
Curated by ChEMBL
Affinity DataIC50: 4.90E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
Affinity DataKi: 5.01E+3nMAssay Description:Displacement of [3H]ZM241385 from stabilized human adenosine receptor A2a expressed in HEK293 cells followed by receptor capturing on Biocore chips b...More data for this Ligand-Target Pair
Affinity DataKd: 5.51E+3nMAssay Description:Binding affinity to human wild type adenosine A2A receptor expressed in Expi293F cells assessed as dissociation constant by surface plasmon resonance...More data for this Ligand-Target Pair
Affinity DataIC50: 7.25E+3nMAssay Description:Inhibition of human AChE using acetylthiocholine iodide as substrate treated 5 mins before substrate addition measured up to 4 mins by Ellman's metho...More data for this Ligand-Target Pair
Affinity DataKi: 9.40E+3nMAssay Description:Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membraneMore data for this Ligand-Target Pair
Affinity DataIC50: 9.60E+3nMAssay Description:Inhibition of human A2a adenosine receptorMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rat)
Warner-Lambert/Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
Warner-Lambert/Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 90 mins by liquid scintillation counting ...More data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rat)
Warner-Lambert/Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
Warner-Lambert/Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes after 90 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rat)
Warner-Lambert/Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
Warner-Lambert/Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
Affinity DataKi: 1.00E+4nMAssay Description:Inhibition of human A2B adenosine receptorMore data for this Ligand-Target Pair
Affinity DataKi: 1.02E+4nMAssay Description:Inhibition of GDA by colorimetric assayMore data for this Ligand-Target Pair
Affinity DataKi: 1.04E+4nMAssay Description:Displacement of [125I]I-ABOPX from human recombinant adenosine A2B receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Affinity DataKi: 1.04E+4nMAssay Description:Binding affinity at human Adenosine A2B receptor expressed in HEK293 cells, using [125I]ABOPX as radioligandMore data for this Ligand-Target Pair
Affinity DataIC50: 1.04E+4nMAssay Description:Inhibition of human A2b adenosine receptorMore data for this Ligand-Target Pair
Affinity DataKi: 1.04E+4nMAssay Description:Antagonist activity against human adenosine A2B receptorMore data for this Ligand-Target Pair
Affinity DataIC50: 1.07E+4nMAssay Description:Inhibition of human A1 adenosine receptorMore data for this Ligand-Target Pair
Affinity DataKi: 1.07E+4nMAssay Description:Antagonist activity at adenosine A1 receptor (unknown origin)More data for this Ligand-Target Pair
Affinity DataKi: 1.07E+4nMAssay Description:Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes incubated for 90 mins by radioligand competition assayMore data for this Ligand-Target Pair
Affinity DataKi: 1.33E+4nMAssay Description:Displacement of [3H]PSB-11 from human A3 receptor expressed in CHO cell membraneMore data for this Ligand-Target Pair
Affinity DataIC50: 1.33E+4nMAssay Description:Inhibition of human A3 adenosine receptorMore data for this Ligand-Target Pair
Affinity DataKi: 1.33E+4nMAssay Description:Binding affinity against human recombinant Adenosine A3 receptor stably expressed in HEK293 cells by displacing [125I]AB-MECA radioligandMore data for this Ligand-Target Pair
Affinity DataKi: 1.33E+4nMAssay Description:Displacement of [3H]PSB11 from recombinant human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Affinity DataKi: 1.33E+4nMAssay Description:Antagonist activity at adenosine A3 receptor (unknown origin)More data for this Ligand-Target Pair
Affinity DataKi: 1.33E+4nMAssay Description:Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Affinity DataKi: >1.33E+4nMAssay Description:Displacement of [3H]PSB-11 from recombinant human adenosine A3 receptorMore data for this Ligand-Target Pair
Affinity DataKi: 1.33E+4nMAssay Description:Displacement of [3H]PSB-11 from human adenosine receptor A3 expressed in CHO cell membranes incubated for 60 mins by radioligand competition assayMore data for this Ligand-Target Pair
Affinity DataKi: 1.33E+4nMAssay Description:Binding affinity to human adenosine A3 receptorMore data for this Ligand-Target Pair
Affinity DataKi: 1.50E+4nMAssay Description:Antagonist binding of 2-chloro-[3H]-adenosine to rat brainMore data for this Ligand-Target Pair
Affinity DataKi: 1.60E+4nMAssay Description:Ability to inhibit binding of [3H]NECA to Adenosine A2A receptor in rat brain striatal membranesMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rat)
Warner-Lambert/Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
Warner-Lambert/Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
Affinity DataKi: 1.70E+4nMAssay Description:Displacement of [3H]CHA from adenosine A1 receptor in rat brain cortical membraneMore data for this Ligand-Target Pair
Affinity DataKi: 1.81E+4nMAssay Description:Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293T cells by scintillation countingMore data for this Ligand-Target Pair
Affinity DataKi: 1.81E+4nMAssay Description:Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293T cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 1.86E+4nMAssay Description:Inhibition of human Notum (81 to T451 residues) Cys330Ser mutant using OPTS substrate incubated for 16 hrs by fluorescence based assayMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rat)
Warner-Lambert/Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
Warner-Lambert/Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
Affinity DataKi: 1.88E+4nMAssay Description:Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rat)
Warner-Lambert/Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
Warner-Lambert/Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
Affinity DataKi: 1.88E+4nMAssay Description:Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membraneMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rat)
Warner-Lambert/Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
Warner-Lambert/Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
Affinity DataKi: 1.88E+4nMAssay Description:Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membraneMore data for this Ligand-Target Pair
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibition of human notum using OTPS as substrate incubated for 16 hrs by fluorescent based assayMore data for this Ligand-Target Pair
Affinity DataKi: 2.05E+4nMAssay Description:Inhibition of human recombinant adenosine receptor A2bMore data for this Ligand-Target Pair
Affinity DataKi: 2.05E+4nMAssay Description:Inhibition of human adenosine 2B receptorMore data for this Ligand-Target Pair
Affinity DataKi: 2.05E+4nMAssay Description:Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Affinity DataKi: 2.20E+4nMAssay Description:Displacement of [3H]NECA from Sprague-Dawley rat adenosine A2A receptor by scintillation countingMore data for this Ligand-Target Pair
Affinity DataKi: 2.20E+4nMAssay Description:Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes.More data for this Ligand-Target Pair
Affinity DataKi: 2.20E+4nMAssay Description:Displacement of [3H]CGS21680 from adenosine receptor A2a in rat brain striatal membraneMore data for this Ligand-Target Pair

3D Structure (crystal)