isobutylmethylxanthine [Ligand Id: 388] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL275084 (2-Acetoxy-Benzoic Acid, 3-Isobutyl-Methylxanthine) |
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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] |
| 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 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]
