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]
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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]
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  • CFTR/Cystic fibrosis transmembrane conductance regulator in Human [ChEMBL: CHEMBL4051] [GtoPdb: 707] [UniProtKB: P13569]
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  • phosphodiesterase 2A/Phosphodiesterase 2A in Human [ChEMBL: CHEMBL2652] [GtoPdb: 1297] [UniProtKB: O00408]
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  • phosphodiesterase 3A/Phosphodiesterase 3A in Human [ChEMBL: CHEMBL241] [GtoPdb: 1298] [UniProtKB: Q14432]
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  • phosphodiesterase 3B/Phosphodiesterase 3B in Human [ChEMBL: CHEMBL290] [GtoPdb: 1299] [UniProtKB: Q13370]
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  • phosphodiesterase 4B/Phosphodiesterase 4B in Human [ChEMBL: CHEMBL275] [GtoPdb: 1301] [UniProtKB: Q07343]
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  • phosphodiesterase 4D/Phosphodiesterase 4D in Human [ChEMBL: CHEMBL288] [GtoPdb: 1303] [UniProtKB: Q08499]
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  • phosphodiesterase 5A/Phosphodiesterase 5A in Human [ChEMBL: CHEMBL1827] [GtoPdb: 1304] [UniProtKB: O76074]
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  • phosphodiesterase 7A/Phosphodiesterase 7A in Human [ChEMBL: CHEMBL3012] [GtoPdb: 1305] [UniProtKB: Q13946]
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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]
CFTR/Cystic fibrosis transmembrane conductance regulator in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4051] [GtoPdb: 707] [UniProtKB: P13569]
ChEMBL Activation of wildtype CFTR in human Calu-3 cells B 4.35 pEC50 45000 nM EC50 RSC Med Chem (2023) 14: 2459-2472 [PMID:38107177]
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]
ChEMBL Inhibition of human C-terminal His6-tagged PDE2A1 (215 to 900 residues) expressed in sf21 cells B 5.4 pIC50 4000 nM IC50 J Med Chem (2016) 59: 7029-7065 [PMID:26908025]
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 3B/Phosphodiesterase 3B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL290] [GtoPdb: 1299] [UniProtKB: Q13370]
ChEMBL Inhibition of human His-tagged PDE3B catalytic domain expressed in Escherichia coli BL21(DE3) pLysS cells B 6.62 pIC50 242 nM IC50 J Med Chem (2016) 59: 7029-7065 [PMID:26908025]
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]
ChEMBL Inhibition of recombinant human PDE4B using 5'-cGMP as substrate measured after 90 mins by colorimetric assay B 4.84 pIC50 14310 nM IC50 Eur J Med Chem (2021) 212: 113125-113125 [PMID:33422981]
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]
ChEMBL Inhibition of PDE4D (unknown origin) B 4.51 pIC50 31000 nM IC50 J Med Chem (2016) 59: 7029-7065 [PMID:26908025]
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]
ChEMBL Inhibition of PDE5A (unknown origin) B 5.68 pIC50 2100 nM IC50 J Med Chem (2016) 59: 7029-7065 [PMID:26908025]
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 34:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]