isobutylmethylxanthine [Ligand Id: 388] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL275084 (2-Acetoxy-Benzoic Acid, 3-Isobutyl-Methylxanthine)
  • A1 receptor/Adenosine A1 receptor in Human [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542]
  • Adenosine A1 receptor in Bovine [ChEMBL: CHEMBL4975] [UniProtKB: P28190]
  • A1 receptor/Adenosine A1 receptor in Rat [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
1 CHEMBL275084_lig_chart_1 Adenosine A1 receptor HumanBovineRat
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  • A2A receptor/Adenosine A2a receptor in Rat [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
  • Adenosine A2a receptor in Guinea pig [ChEMBL: CHEMBL2605] [UniProtKB: P46616]
2 CHEMBL275084_lig_chart_2 Adenosine A2a receptor RatGuinea pig
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  • phosphodiesterase 2A/Phosphodiesterase 2A in Human [ChEMBL: CHEMBL2652] [GtoPdb: 1297] [UniProtKB: O00408]
  • This target only has 0 pki data point
3 CHEMBL275084_lig_chart_3 Phosphodiesterase 2A Human
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  • phosphodiesterase 3A/Phosphodiesterase 3A in Human [ChEMBL: CHEMBL241] [GtoPdb: 1298] [UniProtKB: Q14432]
  • This target only has 0 pki data point
4 CHEMBL275084_lig_chart_4 Phosphodiesterase 3A Human
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  • phosphodiesterase 4B/Phosphodiesterase 4B in Human [ChEMBL: CHEMBL275] [GtoPdb: 1301] [UniProtKB: Q07343]
  • This target only has 0 pki data point
5 CHEMBL275084_lig_chart_5 Phosphodiesterase 4B Human
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  • phosphodiesterase 4D/Phosphodiesterase 4D in Human [ChEMBL: CHEMBL288] [GtoPdb: 1303] [UniProtKB: Q08499]
  • This target only has 0 pki data point
6 CHEMBL275084_lig_chart_6 Phosphodiesterase 4D Human
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  • phosphodiesterase 5A/Phosphodiesterase 5A in Human [ChEMBL: CHEMBL1827] [GtoPdb: 1304] [UniProtKB: O76074]
  • This target only has 0 pki data point
7 CHEMBL275084_lig_chart_7 Phosphodiesterase 5A Human
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  • phosphodiesterase 7A/Phosphodiesterase 7A in Human [ChEMBL: CHEMBL3012] [GtoPdb: 1305] [UniProtKB: Q13946]
  • This target only has 0 pki data point
8 CHEMBL275084_lig_chart_8 Phosphodiesterase 7A Human
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
A1 receptor/Adenosine A1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542]
ChEMBL Dissociation constant against Adenosine A1 receptor B 5.23 pKd 5900 nM Kd J. Med. Chem. (2005) 48: 2026-2035 [PMID:15771445]
GtoPdb - - 5.1 pKi - - - J. Biol. Chem. (1994) 269: 32077-84 [PMID:7798201]
Adenosine A1 receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4975] [UniProtKB: P28190]
ChEMBL Antagonist binding of N6-cyclohexyl-[3H]-adenosine to bovine brain B 5.15 pKi 7000 nM Ki J. Med. Chem. (1982) 25: 197-207 [PMID:6279840]
A1 receptor/Adenosine A1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
ChEMBL Binding affinity at Adenosine A1 receptor in rat brain cortical membrane using [3H]N6-R-phenylisopropyladenosine (R-PIA) as radioligand B 5.15 pKi 7000 nM Ki J. Med. Chem. (1993) 36: 3341-3349 [PMID:8230124]
ChEMBL Ability to inhibit binding of 1 nM [3H]cyclohexyladenosine to adenosine A1 receptor in rat cerebral cortical membranes B 5.15 pKi 7000 nM Ki J. Med. Chem. (1986) 29: 1305-1308 [PMID:3806581]
ChEMBL Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]PIA as radioligand B 5.15 pKi 7000 nM Ki J. Med. Chem. (1993) 36: 2639-2644 [PMID:8410976]
ChEMBL Binding affinity for Adenosine A1 receptor from rat brain using [3H]-PIA as radioligand B 5.17 pKi 6700 nM Ki J. Med. Chem. (1990) 33: 2818-2821 [PMID:2213834]
ChEMBL Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]N6-cyclohexyladenosine as the radioligand B 5.6 pKi 2500 nM Ki J. Med. Chem. (1989) 32: 2247-2254 [PMID:2795597]
ChEMBL Binding affinity towards the adenosine A1 receptor in cerebral cortices of Sprague-Dawley male rats using [3H]CHA as radioligand. B 5.15 pIC50 7000 nM IC50 J. Med. Chem. (1990) 33: 2240-2254 [PMID:2374150]
A2A receptor/Adenosine A2a receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
ChEMBL Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]CGS-21680 B 5.24 pKi 5800 nM Ki J. Med. Chem. (1993) 36: 2639-2644 [PMID:8410976]
Adenosine A2a receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2605] [UniProtKB: P46616]
ChEMBL Antagonist binding of N6-cyclohexyl-[3H]-adenosine to guinea pig brain B 5.1 pKi 8000 nM Ki J. Med. Chem. (1982) 25: 197-207 [PMID:6279840]
ChEMBL Compound was evaluated for its ability to antagonise cyclic [3H]AMP accumulation in [3H]adenine-labeled guinea pig cerebral cortical slices. F 5.1 pKi 8000 nM Ki J. Med. Chem. (1986) 29: 1305-1308 [PMID:3806581]
phosphodiesterase 2A/Phosphodiesterase 2A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2652] [GtoPdb: 1297] [UniProtKB: O00408]
ChEMBL Inhibition of Phosphodiesterase 2 from pig coronary artery B 4.82 pIC50 15000 nM IC50 J. Med. Chem. (1986) 29: 972-978 [PMID:2423691]
ChEMBL Inhibition of cyclic GMP sensitive phosphodiesterase PDE 2 of human lung B 4.92 pIC50 12000 nM IC50 J. Med. Chem. (1985) 28: 537-545 [PMID:2985781]
phosphodiesterase 3A/Phosphodiesterase 3A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL241] [GtoPdb: 1298] [UniProtKB: Q14432]
ChEMBL Inhibition of human PDE3A by HTRF assay B 5.15 pIC50 7000 nM IC50 Bioorg Med Chem (2017) 25: 5531-5536 [PMID:28838830]
phosphodiesterase 4B/Phosphodiesterase 4B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL275] [GtoPdb: 1301] [UniProtKB: Q07343]
ChEMBL Inhibition of human GST-tagged PDE4B expressed in baculovirus infected Sf9 insect cells using cAMP as substrate after 10 mins by PDE-Glo Phosphodiesterase Assay B 4.55 pIC50 28200 nM IC50 Eur J Med Chem (2018) 146: 381-394 [PMID:29407965]
ChEMBL Inhibition of recombinant human PDE4B using cAMP as substrate after 10 mins by PDE-Glo Phosphodiesterase Assay B 4.55 pIC50 28200 nM IC50 Eur J Med Chem (2018) 158: 517-533 [PMID:30245393]
phosphodiesterase 4D/Phosphodiesterase 4D in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL288] [GtoPdb: 1303] [UniProtKB: Q08499]
ChEMBL Inhibition of recombinant human PDE4D expressed in Escherichia coli assessed as increase in cAMP levels after 60 mins by BIOMOLGREEN dye-based assay B 4.42 pIC50 38000 nM IC50 Eur J Med Chem (2018) 146: 139-146 [PMID:29407945]
phosphodiesterase 5A/Phosphodiesterase 5A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1827] [GtoPdb: 1304] [UniProtKB: O76074]
ChEMBL Inhibition of PDE5 from platelets B 4.2 pIC50 63000 nM IC50 J. Med. Chem. (2001) 44: 3746-3749 [PMID:11606139]
phosphodiesterase 7A/Phosphodiesterase 7A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3012] [GtoPdb: 1305] [UniProtKB: Q13946]
ChEMBL Inhibition of human GST-tagged PDE7A expressed in baculovirus infected Sf9 insect cells using cAMP as substrate after 10 mins by PDE-Glo Phosphodiesterase Assay B 4.07 pIC50 85600 nM IC50 Eur J Med Chem (2018) 146: 381-394 [PMID:29407965]
ChEMBL Inhibition of recombinant human PDE7A using cAMP as substrate after 10 mins by PDE-Glo Phosphodiesterase Assay B 4.07 pIC50 85600 nM IC50 Eur J Med Chem (2018) 158: 517-533 [PMID:30245393]

ChEMBL data shown on this page come from version 27:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]