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
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 211 hits for monomerid = 10849
Affinity DataIC50: 4.90E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
Affinity DataIC50: 4.69E+5nMpH: 5.5 T: 2°CAssay Description:The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa...More data for this Ligand-Target Pair
Affinity DataIC50: 7.47E+5nMpH: 7.5 T: 2°CAssay Description:Phosphodiesterase 4A (PDE4A) was assayed using an Sf9-expressed GST-fusion, and activity was monitored by hydrolysis of [3H]cAMP to [3H]AMP using the...More data for this Ligand-Target Pair
Affinity DataIC50: 2.57E+5nMpH: 5.5 T: 2°CAssay Description:The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa...More data for this Ligand-Target Pair
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
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
Affinity DataEC50: 3.77E+5nMpH: 7.3 T: 2°CAssay Description:The hTREK1 stable cell lines were seeded at a density of 10 000 cells/well in a 12-well plate. Whole-cell membrane currents were amplified using the ...More data for this Ligand-Target Pair
Affinity DataIC50: 5.50E+7nMpH: 7.4 T: 2°CAssay Description:An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes as repo...More data for this Ligand-Target Pair
Affinity DataIC50: 2.00E+6nMpH: 7.4 T: 2°CAssay Description:An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes as repo...More data for this Ligand-Target Pair
Affinity DataIC50: 1.10E+5nMAssay Description:Antagonism of adenosine A1 receptor assessed from the ability to inhibit binding of [3H]cyclohexyladenosine to rat cerebral cortical membranesMore data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+7nMAssay Description:Inhibition of DNAPK after 2 hrs by radiometric phosphate incorporation assayMore data for this Ligand-Target Pair
TargetPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform(Human)
The University of Jordan
Curated by ChEMBL
The University of Jordan
Curated by ChEMBL
Affinity DataIC50: 3.63E+6nMAssay Description:Inhibition of PI3Kgamma (unknown origin) assessed as decrease in fluorescence intensity using phosphorylated substrateMore data for this Ligand-Target Pair
Affinity DataIC50: 1.14E+5nMAssay Description:Inhibitory activity against rabbit muscle GPaMore data for this Ligand-Target Pair
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
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
Affinity DataIC50: 7.53E+4nMAssay Description:Inhibition of rabbit muscle glycogen phosphorylase aMore data for this Ligand-Target Pair
Affinity DataIC50: 1.10E+6nMAssay Description:Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assayMore data for this Ligand-Target Pair
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of full length recombinant ATM after 24 hrs by radiometric phosphate incorporation assayMore data for this Ligand-Target Pair
Affinity DataIC50: 4.00E+5nMAssay Description:Inhibition of mTOR by radiometric phosphate incorporation assayMore data for this Ligand-Target Pair
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
Affinity DataIC50: 1.17E+5nMAssay Description:Binding affinity towards the adenosine A1 receptor in cerebral cortices of Sprague-Dawley male rats using [3H]CHA as radioligand.More data for this Ligand-Target Pair
Affinity DataKd: 4.50E+4nMAssay Description:Dissociation constant against Adenosine A1 receptorMore data for this Ligand-Target Pair
Affinity DataIC50: 1.14E+5nMAssay Description:Inhibitory concentration against rabbit muscle glycogen phosphorylaseMore data for this Ligand-Target Pair
Affinity DataIC50: 6.48E+5nMAssay Description:Inhibitory concentration against rat liver glycogen phosphorylaseMore data for this Ligand-Target Pair
Affinity DataIC50: 1.14E+5nMAssay Description:Inhibition of rabbit muscle GPaMore data for this Ligand-Target Pair
Affinity DataIC50: 6.60E+5nMAssay Description:Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea...More data for this Ligand-Target Pair
Affinity DataIC50: 8.31E+4nMAssay Description:Inhibition of rabbit muscle glycogen phosphorylase a assessed as glycogen synthesisMore data for this Ligand-Target Pair
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
Affinity DataIC50: 1.00E+5nMAssay Description:Binding affinity to rabbit muscular GPa,b by NMR binding assayMore data for this Ligand-Target Pair
Affinity DataIC50: 6.30E+4nMAssay Description:Evaluated for the binding affinity towards the Adenosine A2 receptor in corpora striata of rats using [3H]NECA as radioligand.More data for this Ligand-Target Pair
TargetDual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B/Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C/Phosphodiesterase(Rat)
Pfizer
Curated by ChEMBL
Pfizer
Curated by ChEMBL
Affinity DataIC50: 7.00E+4nMAssay Description:Evaluated for Ca++ dependent phosphodiesterase activity. More data for this Ligand-Target Pair
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
Affinity DataIC50: 1.35E+5nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
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
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human BuChE using S-butyrylthiocholine iodide as substrate treated 5 mins before substrate addition measured up to 4 mins by Ellman's m...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 DataIC50: 5.00E+4nMAssay Description:Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 30 mins followed by addition of p-tyramine ...More data for this Ligand-Target Pair
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 30 mins followed by addition of p-tyramine ...More data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+5nMAssay Description:This is a review article. Please point to the original journal.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
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Federal University of Parana
Curated by ChEMBL
Federal University of Parana
Curated by ChEMBL
Affinity DataIC50: 1.40E+7nMAssay Description:Inhibition of ABCG2 (unknown origin) expressed in human MCF7/MX100 cells assessed as BODIPY-Prazosin uptake and preincubated with substrate followed ...More 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
Affinity DataEC50: 4.58E+4nMAssay Description:Inhibition of human Notum (S81 to T451 residues) Cys330Ser mutant in human HEK293 cells expressing Renilla and STF reporter gene and measured after 2...More data for this Ligand-Target Pair
Affinity DataKd: 8.50E+4nMAssay Description:Binding affinity to human Notum (S81 to T451 residues) Cys330Ser mutant expressed in human HEK293T cells by SPR analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 1.07E+4nMAssay Description:Inhibition of human A1 adenosine receptorMore data for this Ligand-Target Pair