Found 196 hits for monomerid = 10849 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar
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| Article PubMed
| 3.60E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
North-West University
Curated by ChEMBL
| Assay Description Inhibition of recombinant wild-type MAOB from human liver expressed in Pichia pastoris |
Bioorg Med Chem Lett 19: 2509-13 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.030 BindingDB Entry DOI: 10.7270/Q2C53KQB |
More data for this Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
Reactome pathway
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| Article PubMed
| 3.80E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human MAOB |
J Med Chem 58: 6717-32 (2015)
Article DOI: 10.1021/jm501690r BindingDB Entry DOI: 10.7270/Q2VT1TWM |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TCG Lifesciences Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Eur J Med Chem 46: 618-30 (2011)
Article DOI: 10.1016/j.ejmech.2010.11.042 BindingDB Entry DOI: 10.7270/Q2WQ052W |
More data for this Ligand-Target Pair | |
3C-like proteinase (3CL-PRO)
(Human SARS coronavirus (SARS-CoV) (Severe acute re...) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB MMDB
Reactome pathway KEGG
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| PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Michigan State University
| Assay Description This is a review article. Please point to the original journal. |
J Med Chem 64: 16922-16955 (2021)
|
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB MMDB
Reactome pathway KEGG
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| DrugBank Article PubMed
| n/a | n/a | 7.47E+5 | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of Dundee
| Assay 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... |
Chem Biol 12: 973-80 (2005)
Article DOI: 10.1016/j.chembiol.2005.07.009 BindingDB Entry DOI: 10.7270/Q2765CJG |
More data for this Ligand-Target Pair |  3D Structure (docked) |
Chitinase 1
(Homo sapiens (Human)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 2.57E+5 | n/a | n/a | n/a | n/a | 5.5 | 30 |
University of Dundee
| Assay Description The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa... |
Chem Biol 12: 973-80 (2005)
Article DOI: 10.1016/j.chembiol.2005.07.009 BindingDB Entry DOI: 10.7270/Q2765CJG |
More data for this Ligand-Target Pair | |
Glycogen phosphorylase, muscle form
(Oryctolagus cuniculus (rabbit)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB MMDB
KEGG
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| PDB Article PubMed
| n/a | n/a | 1.14E+5 | n/a | n/a | n/a | n/a | 7.2 | 22 |
China Pharmaceutical University
| Assay Description The activity of the compounds is determined by measuring the inhibitory effect of the compounds in the direction of glycogen synthesis, the conversio... |
J Med Chem 51: 3540-54 (2008)
Article DOI: 10.1021/jm8000949 BindingDB Entry DOI: 10.7270/Q2WQ0233 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Glycogen phosphorylase, muscle form
(Oryctolagus cuniculus (rabbit)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | 1.44E+5 | n/a | n/a | n/a | n/a | 7.2 | 22 |
Institute of Traditional Chinese Medicine, Chengde Medical University, Chengde, 067000, China
| Assay 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... |
Chem Biol Drug Des 83: 297-305 (2014)
Article DOI: 10.1111/cbdd.12241 BindingDB Entry DOI: 10.7270/Q2TH8KBS |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Twik-RElated Potassium (K+) channel 1 (TREK1)
(Homo sapiens (Human)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
Reactome pathway
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| Article PubMed
| n/a | n/a | n/a | n/a | 3.77E+5 | n/a | n/a | 7.3 | 22 |
Korea Institute of Science and Technology
| Assay 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 ... |
Chem Biol Drug Des 88: 807-819 (2016)
Article DOI: 10.1111/cbdd.12810 BindingDB Entry DOI: 10.7270/Q2S181B1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 5.50E+7 | n/a | n/a | n/a | n/a | 7.4 | 25 |
GITAM University
| Assay 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... |
J Enzyme Inhib Med Chem 27: 97-100 (2012)
Article DOI: 10.3109/14756366.2011.578393 BindingDB Entry DOI: 10.7270/Q2HH6HZG |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 2.00E+6 | n/a | n/a | n/a | n/a | 7.4 | 25 |
GITAM University
| Assay 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... |
J Enzyme Inhib Med Chem 27: 97-100 (2012)
Article DOI: 10.3109/14756366.2011.578393 BindingDB Entry DOI: 10.7270/Q2HH6HZG |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 1.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Antagonism of adenosine A1 receptor assessed from the ability to inhibit binding of [3H]-cyclohexyladenosine to rat cerebral cortical membranes |
J Med Chem 27: 1364-7 (1984)
Article DOI: 10.1021/jm00376a027 BindingDB Entry DOI: 10.7270/Q2K35SP9 |
More data for this Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
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| DrugBank Article PubMed
| n/a | n/a | 1.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of DNAPK after 2 hrs by radiometric phosphate incorporation assay |
J Med Chem 54: 2320-30 (2011)
Article DOI: 10.1021/jm101488z BindingDB Entry DOI: 10.7270/Q2WS8TK6 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | 3.63E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Jordan
Curated by ChEMBL
| Assay Description Inhibition of PI3Kgamma (unknown origin) assessed as decrease in fluorescence intensity using phosphorylated substrate |
Eur J Med Chem 84: 454-65 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.056 BindingDB Entry DOI: 10.7270/Q2057HM8 |
More data for this Ligand-Target Pair | |
Glycogen phosphorylase, muscle form
(Oryctolagus cuniculus (rabbit)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | 1.14E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibitory activity against rabbit muscle GPa |
Bioorg Med Chem Lett 16: 722-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.014 BindingDB Entry DOI: 10.7270/Q22B8XMZ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Glycogen phosphorylase, muscle form
(Oryctolagus cuniculus (rabbit)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | 2.29E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of rabbit muscle glycogen phosphorylase-a assessed as formation of inorganic phosphate from glucose-1-phosphate by colorimetry |
Eur J Med Chem 111: 1-14 (2016)
Article DOI: 10.1016/j.ejmech.2016.01.031 BindingDB Entry DOI: 10.7270/Q2R78H3F |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Glycogen phosphorylase, muscle form
(Oryctolagus cuniculus (rabbit)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB MMDB
KEGG
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| PDB Article PubMed
| n/a | n/a | 7.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of rabbit muscle glycogen phosphorylase assessed as release of phosphate from glucose-1-phosphate after 25 mins |
J Nat Prod 72: 1414-8 (2009)
Article DOI: 10.1021/np9002367 BindingDB Entry DOI: 10.7270/Q2B8587T |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Glycogen phosphorylase, muscle form
(Oryctolagus cuniculus (rabbit)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB MMDB
KEGG
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| PDB Article PubMed
| n/a | n/a | 7.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of rabbit muscle glycogen phosphorylase a |
Bioorg Med Chem Lett 21: 338-41 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.004 BindingDB Entry DOI: 10.7270/Q2MC909F |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
Reactome pathway
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Patents
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| Article PubMed
| n/a | n/a | 1.10E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay |
J Med Chem 54: 2320-30 (2011)
Article DOI: 10.1021/jm101488z BindingDB Entry DOI: 10.7270/Q2WS8TK6 |
More data for this Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
Reactome pathway
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antibodypedia GoogleScholar
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Patents
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| Article PubMed
| n/a | n/a | 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant ATM after 24 hrs by radiometric phosphate incorporation assay |
J Med Chem 54: 2320-30 (2011)
Article DOI: 10.1021/jm101488z BindingDB Entry DOI: 10.7270/Q2WS8TK6 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
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Patents
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| Article PubMed
| n/a | n/a | 4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of mTOR by radiometric phosphate incorporation assay |
J Med Chem 54: 2320-30 (2011)
Article DOI: 10.1021/jm101488z BindingDB Entry DOI: 10.7270/Q2WS8TK6 |
More data for this Ligand-Target Pair | |
Glycogen phosphorylase, muscle form
(Oryctolagus cuniculus (rabbit)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB MMDB
KEGG
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| PDB Article PubMed
| n/a | n/a | 7.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of rabbit muscle glycogen phosphorylase a assessed as release of phosphate from glucose-1-phosphate after 25 mins using malachite green st... |
Bioorg Med Chem Lett 22: 1036-9 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.123 BindingDB Entry DOI: 10.7270/Q21J9B74 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
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Patents
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| Article PubMed
| n/a | n/a | 1.17E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Binding affinity towards the adenosine A1 receptor in cerebral cortices of Sprague-Dawley male rats using [3H]CHA as radioligand. |
J Med Chem 33: 2240-54 (1990)
Article DOI: 10.1021/jm00170a031 BindingDB Entry DOI: 10.7270/Q2PR7WKF |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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| DrugBank Article PubMed
| n/a | n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a |
University of Ferrara
Curated by ChEMBL
| Assay Description Dissociation constant against Adenosine A1 receptor |
J Med Chem 48: 2026-35 (2005)
Article DOI: 10.1021/jm040842z BindingDB Entry DOI: 10.7270/Q2J67HQX |
More data for this Ligand-Target Pair | |
Muscle glycogen phosphorylase
(Homo sapiens (Human)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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| PDB Article PubMed
| n/a | n/a | 1.14E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibitory concentration against rabbit muscle glycogen phosphorylase |
Bioorg Med Chem Lett 15: 4944-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.026 BindingDB Entry DOI: 10.7270/Q27M08R5 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Liver glycogen phosphorylase
(Rattus norvegicus) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar
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| PDB Article PubMed
| n/a | n/a | 6.48E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibitory concentration against rat liver glycogen phosphorylase |
Bioorg Med Chem Lett 15: 4944-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.026 BindingDB Entry DOI: 10.7270/Q27M08R5 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Glycogen phosphorylase, muscle form
(Oryctolagus cuniculus (rabbit)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB MMDB
KEGG
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| PDB Article PubMed
| n/a | n/a | 1.14E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of rabbit muscle GPa |
Bioorg Med Chem Lett 16: 2915-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.009 BindingDB Entry DOI: 10.7270/Q2571CT8 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Sodium channel protein type I I alpha subunit
(Homo sapiens (Human)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar
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| Article PubMed
| n/a | n/a | 6.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea... |
J Med Chem 28: 381-8 (1985)
Article DOI: 10.1021/jm00381a019 BindingDB Entry DOI: 10.7270/Q2Z321T8 |
More data for this Ligand-Target Pair | |
Glycogen phosphorylase, muscle form
(Oryctolagus cuniculus (rabbit)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB MMDB
KEGG
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Patents
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| PDB Article PubMed
| n/a | n/a | 8.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of rabbit muscle glycogen phosphorylase a assessed as glycogen synthesis |
J Nat Prod 71: 1877-80 (2011)
Article DOI: 10.1021/np8003886 BindingDB Entry DOI: 10.7270/Q2Q2416F |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Glycogen phosphorylase, muscle form
(Oryctolagus cuniculus (rabbit)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB MMDB
KEGG
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| PDB Article PubMed
| n/a | n/a | 7.49E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of rabbit muscle glycogen phosphorylase A assessed as release of phosphate from glucose-1-phosphate after 25 mins |
Bioorg Med Chem Lett 19: 6966-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.055 BindingDB Entry DOI: 10.7270/Q28G8MNX |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Glycogen phosphorylase, muscle form
(Oryctolagus cuniculus (rabbit)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB MMDB
KEGG
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Patents
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| PDB Article PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lyon
Curated by ChEMBL
| Assay Description Binding affinity to rabbit muscular GPa,b by NMR binding assay |
J Med Chem 55: 1287-95 (2012)
Article DOI: 10.1021/jm201439b BindingDB Entry DOI: 10.7270/Q21J9BS9 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Adenosine A2 receptor
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 6.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Evaluated for the binding affinity towards the Adenosine A2 receptor in corpora striata of rats using [3H]NECA as radioligand. |
J Med Chem 33: 2240-54 (1990)
Article DOI: 10.1021/jm00170a031 BindingDB Entry DOI: 10.7270/Q2PR7WKF |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Phosphodiesterase 1
(Rattus norvegicus) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar
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Patents
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| Article PubMed
| n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Evaluated for Ca++ dependent phosphodiesterase activity. |
J Med Chem 33: 2240-54 (1990)
Article DOI: 10.1021/jm00170a031 BindingDB Entry DOI: 10.7270/Q2PR7WKF |
More data for this Ligand-Target Pair | |
Glycogen phosphorylase, muscle form
(Rattus norvegicus) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
Reactome pathway
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Patents
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| PDB Article PubMed
| n/a | n/a | 1.82E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of rat muscle glycogen phosphorylase A assessed as release of inorganic phosphate from glucose-1- phosphate in presence of glycogen after ... |
Eur J Med Chem 127: 341-356 (2017)
Article DOI: 10.1016/j.ejmech.2016.12.049 BindingDB Entry DOI: 10.7270/Q2GF0WR2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Bile salt export pump
(Homo sapiens (Human)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar
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Patents
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| Article PubMed
| n/a | n/a | >1.35E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t... |
Toxicol Sci 118: 485-500 (2010)
Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN |
More data for this Ligand-Target Pair | |
Bile salt export pump
(Homo sapiens (Human)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
Reactome pathway
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antibodypedia GoogleScholar
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Patents
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| Article PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-... |
Drug Metab Dispos 40: 2332-41 (2012)
Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M |
More data for this Ligand-Target Pair | |
Bile salt export pump
(Homo sapiens (Human)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar
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CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay 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 ... |
Toxicol Sci 136: 216-41 (2013)
Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D |
More data for this Ligand-Target Pair | |
Multidrug resistance-associated protein 4
(Homo sapiens (Human)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
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| Article PubMed
| n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay 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... |
Toxicol Sci 136: 216-41 (2013)
Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D |
More data for this Ligand-Target Pair | |
Canalicular multispecific organic anion transporter 2
(Homo sapiens (Human)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
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| Article PubMed
| n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... |
Toxicol Sci 136: 216-41 (2013)
Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D |
More data for this Ligand-Target Pair | |
Canalicular multispecific organic anion transporter 1
(Homo sapiens (Human)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | Reactome pathway
UniProtKB/SwissProt
antibodypedia GoogleScholar
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Patents
Similars
| Article PubMed
| n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay 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... |
Toxicol Sci 136: 216-41 (2013)
Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D |
More data for this Ligand-Target Pair | |
Glycogen phosphorylase, muscle form
(Oryctolagus cuniculus (rabbit)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB MMDB
KEGG
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Patents
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| PDB Article PubMed
| n/a | n/a | 6.48E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of rabbit muscle glycogen phosphorylase a assessed as inhibition of release of phosphate from glucose-1-phosphate after 30 mins by spectro... |
Eur J Med Chem 84: 584-94 (2014)
Article DOI: 10.1016/j.ejmech.2014.07.063 BindingDB Entry DOI: 10.7270/Q2B85C38 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Cholinesterases; ACHE & BCHE
(Homo sapiens (Human)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
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| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay 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... |
Bioorg Med Chem Lett 23: 4336-41 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.092 BindingDB Entry DOI: 10.7270/Q2JD50Q1 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
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| Article PubMed
| n/a | n/a | 7.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Waterloo
Curated by ChEMBL
| Assay 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... |
Bioorg Med Chem Lett 23: 4336-41 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.092 BindingDB Entry DOI: 10.7270/Q2JD50Q1 |
More data for this Ligand-Target Pair | |
Amine oxidase (flavin-containing) A
(Homo sapiens (Human)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
Reactome pathway
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Patents
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| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 30 mins followed by addition of p-tyramine ... |
Bioorg Med Chem 24: 5462-5480 (2016)
Article DOI: 10.1016/j.bmc.2016.09.003 |
More data for this Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB
Reactome pathway
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antibodypedia GoogleScholar
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Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn
Curated by ChEMBL
| Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 30 mins followed by addition of p-tyramine ... |
Bioorg Med Chem 24: 5462-5480 (2016)
Article DOI: 10.1016/j.bmc.2016.09.003 |
More data for this Ligand-Target Pair | |
Endochitinase B1
(Aspergillus fumigatus) | BDBM10849
 (1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-d...)Show InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | PDB MMDB
KEGG
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Patents
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| PDB Article PubMed
| n/a | n/a | 4.69E+5 | n/a | n/a | n/a | n/a | 5.5 | 37 |
University of Dundee
| Assay Description The IC50s of inhibitor against the human chitinase were determined using the fluorogenic substrate 4MU-NAG3. The fluorescence of the liberated 4MU wa... |
Chem Biol 12: 973-80 (2005)
Article DOI: 10.1016/j.chembiol.2005.07.009 BindingDB Entry DOI: 10.7270/Q2765CJG |
More data for this Ligand-Target Pair |  3D Structure (crystal) |