caffeine [Ligand Id: 407] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL113 (Anhydrous caffeine, Cafcit, Caffeine, Caffeine anhydrous, Caffeine melting point standard, Caffeinum, Coffeine, Coffeinum, Durvitan, FEMA NO. 2224, Guaranine, Methyltheobromine, Nodoz, Nodoz caplets and chewable tablets, NSC-5036, Pro-plus, Synalgos, Theine, Vivarin, Yeast-vite, Zanthine)
  • acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303]
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  • A2A receptor/Adenosine A2a receptor in Human [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
  • 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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  • A2B receptor/Adenosine A2b receptor in Human [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275]
  • A2B receptor/Adenosine A2b receptor in Mouse [ChEMBL: CHEMBL2237] [GtoPdb: 20] [UniProtKB: Q60614]
  • A2B receptor/Adenosine A2b receptor in Rat [ChEMBL: CHEMBL2592] [GtoPdb: 20] [UniProtKB: P29276]
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  • A3 receptor/Adenosine A3 receptor in Human [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
  • A3 receptor/Adenosine A3 receptor in Rat [ChEMBL: CHEMBL3360] [GtoPdb: 21] [UniProtKB: P28647]
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  • butyrylcholinesterase/Butyrylcholinesterase in Human [ChEMBL: CHEMBL1914] [GtoPdb: 2471] [UniProtKB: P06276]
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  • Glycogen phosphorylase, muscle form in Rabbit [ChEMBL: CHEMBL4696] [UniProtKB: P00489]
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  • phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit delta/PI3-kinase p110-delta subunit in Human [ChEMBL: CHEMBL3130] [GtoPdb: 2155] [UniProtKB: O00329]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303]
ChEMBL Inhibition of human AChE using acetylthiocholine iodide as substrate treated 5 mins before substrate addition measured up to 4 mins by Ellman's method B 5.14 pIC50 7250 nM IC50 Bioorg Med Chem Lett (2013) 23: 4336-4341 [PMID:23791077]
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 4.35 pKd 45000 nM Kd J Med Chem (2005) 48: 2026-2035 [PMID:15771445]
ChEMBL Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293T cells by scintillation counting B 4.31 pKi 49000 nM Ki Bioorg Med Chem (2009) 17: 4280-4284 [PMID:19481943]
ChEMBL Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293T cells B 4.31 pKi 49000 nM Ki Bioorg Med Chem (2007) 15: 3235-3240 [PMID:17350268]
ChEMBL Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293T cells B 4.31 pKi 49000 nM Ki Bioorg Med Chem (2008) 16: 3825-3830 [PMID:18262425]
ChEMBL Binding affinity to human adenosine A1 receptor B 4.35 pKi 44900 nM Ki Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167]
ChEMBL Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells B 4.35 pKi 44900 nM Ki Eur J Med Chem (2011) 46: 3590-3607 [PMID:21664729]
ChEMBL Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells B 4.35 pKi 44900 nM Ki Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167]
ChEMBL Inhibition of human recombinant adenosine A1 receptor B 4.35 pKi 44900 nM Ki J Med Chem (2014) 57: 3623-3650 [PMID:24164628]
ChEMBL Displacement of [3H]CCPA from human A1 receptor B 4.35 pKi 44900 nM Ki Bioorg Med Chem (2016) 24: 5462-5480 [PMID:27658798]
ChEMBL Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells B 4.35 pKi 44900 nM Ki Bioorg Med Chem (2019) 27: 1195-1210 [PMID:30808606]
ChEMBL Antagonist activity at human adenosine A1 receptor assessed as cAMP level by cell based assay F 4.36 pKi 44000 nM Ki Bioorg Med Chem Lett (2013) 23: 3427-3433 [PMID:23602401]
ChEMBL Binding affinity to adenosine A1 receptor B 4.54 pKi 29000 nM Ki J Nat Prod (2000) 63: 315-317 [PMID:10757709]
GtoPdb - - 4.97 pKi 10700 nM Ki Neurosci Lett (1993) 150: 191-4 [PMID:8469419];
J Pharmacol Exp Ther (2004) 308: 358-66 [PMID:14563788];
Drug Dev Res (1999) : 45-53
ChEMBL Binding affinity to human adenosine A1 receptor by radioligand displacement assay B 4.97 pKi 10700 nM Ki Medchemcomm (2018) 9: 951-962 [PMID:30108984]
ChEMBL Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes incubated for 90 mins by radioligand competition assay B 4.97 pKi 10700 nM Ki Eur J Med Chem (2020) 186: 111879-111879 [PMID:31780082]
ChEMBL Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cell membranes after 90 mins by liquid scintillation counting method B 5 pKi >10000 nM Ki J Med Chem (2018) 61: 4301-4316 [PMID:29681156]
Adenosine A1 receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4975] [UniProtKB: P28190]
ChEMBL Affinity to A1 adenosine receptor was measured by the displacement of [3H]PIA in bovine brain cortical membrane B 4.54 pKi 29000 nM Ki J Med Chem (1994) 37: 2970-2975 [PMID:8071944]
A1 receptor/Adenosine A1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
ChEMBL Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat fat cell membrane B 4.23 pKi 59000 nM Ki J Med Chem (1989) 32: 1231-1237 [PMID:2724296]
ChEMBL Antagonism of binding of 1 nM [3H]cyclohexyladenosine to adenosine A1 receptors on rat cortical membranes B 4.26 pKi 55000 nM Ki J Med Chem (1985) 28: 487-492 [PMID:2984420]
ChEMBL Binding affinity for Adenosine A1 receptor from rat brain using [3H]-PIA as radioligand B 4.26 pKi 55000 nM Ki J Med Chem (1990) 33: 2818-2821 [PMID:2213834]
ChEMBL Ability to inhibit binding of 1 nM [3H]cyclohexyladenosine to adenosine A1 receptor in rat cerebral cortical membranes B 4.26 pKi 55000 nM Ki J Med Chem (1986) 29: 1305-1308 [PMID:3806581]
ChEMBL Binding affinity to Adenosine A1 receptor in rat brain tissue by radioligand displacement assay B 4.26 pKi 55000 nM Ki Bioorg Med Chem (2015) 23: 6641-6649 [PMID:26392370]
ChEMBL Displacement of N6-[3H]cyclohexyladenosine from adenosine receptor A1 in rat cerebral cortical membrane B 4.26 pKi 55000 nM Ki Eur J Med Chem (2017) 125: 652-656 [PMID:27721150]
ChEMBL Displacement of [3H]cyclohexyladenosine from adenosine receptor A1 in rat cerebral cortical membranes B 4.26 pKi 55000 nM Ki Bioorg Med Chem Lett (2016) 26: 5951-5955 [PMID:27836398]
ChEMBL Inhibition of (R)-N6-([3H]-phenylisopropyl) adenosine binding to adenosine A1 receptor from rat cortical membranes B 4.36 pKi 44000 nM Ki J Med Chem (1992) 35: 2342-2345 [PMID:1613758]
ChEMBL Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes B 4.36 pKi 44000 nM Ki J Med Chem (1989) 32: 1231-1237 [PMID:2724296]
ChEMBL Displacement of [3H]DPCPX from adenosine receptor A1 in rat brain membrane B 4.36 pKi 43900 nM Ki Eur J Med Chem (2017) 125: 652-656 [PMID:27721150]
ChEMBL Ability to inhibit binding of [3H]R-PIA to Adenosine A1 receptor in rat brain cortical membranes B 4.39 pKi 41000 nM Ki J Med Chem (1997) 40: 4396-4405 [PMID:9435909]
ChEMBL Binding affinity to A1 adenosine receptor from rat cortical membrane in presence of [3H]R-(phenylisopropyl)-adenosine B 4.39 pKi 41000 nM Ki J Med Chem (1994) 37: 1526-1534 [PMID:8182711]
ChEMBL Binding affinity against Adenosine A1 receptor by displacing [3H]CHA radioligand in rat brain cortical membrane B 4.39 pKi 41000 nM Ki J Med Chem (2002) 45: 3440-3450 [PMID:12139454]
ChEMBL Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex membrane B 4.39 pKi 41000 nM Ki Bioorg Med Chem (2010) 18: 2195-2203 [PMID:20188574]
ChEMBL Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex B 4.39 pKi 41000 nM Ki Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167]
ChEMBL Binding affinity to rat adenosine A1 receptor B 4.39 pKi 41000 nM Ki Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167]
ChEMBL Displacement of [3H]R-PIA from adenosine receptor A1 in rat brain cerebral cortical membranes B 4.39 pKi 41000 nM Ki Bioorg Med Chem Lett (2016) 26: 5951-5955 [PMID:27836398]
ChEMBL Displacement of [3H]R-PIA from adenosine receptor A1 in rat brain cortical membrane B 4.39 pKi 41000 nM Ki Eur J Med Chem (2017) 125: 652-656 [PMID:27721150]
ChEMBL Displacement of [3H]CCPA from rat A1 receptor B 4.39 pKi 41000 nM Ki Bioorg Med Chem (2016) 24: 5462-5480 [PMID:27658798]
ChEMBL Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes B 4.39 pKi 41000 nM Ki Bioorg Med Chem (2019) 27: 1195-1210 [PMID:30808606]
ChEMBL Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortex membranes incubated for 90 mins by radioligand competition assay B 4.39 pKi 41000 nM Ki Eur J Med Chem (2020) 186: 111879-111879 [PMID:31780082]
GtoPdb - - 4.39 pKi 41000 nM Ki J Med Chem (1994) 37: 1526-34 [PMID:8182711];
Pharmacology (1991) 42: 309-21 [PMID:1658821]
ChEMBL Displacement of [3H]MSX from rat A1 receptor B 4.49 pKi 32500 nM Ki Bioorg Med Chem (2016) 24: 5462-5480 [PMID:27658798]
ChEMBL Binding affinity against adenosine A1 receptor using N6-[3H]-cyclohexyladenosinene in rat whole brain membranes B 4.54 pKi 29100 nM Ki J Med Chem (1992) 35: 924-930 [PMID:1548682]
ChEMBL Tested for binding affinity against Adenosine A1 receptor from rat forebrain membranes, using N6-[3H]- cyclohexyladenosine as radioligand B 4.54 pKi 29100 nM Ki J Med Chem (1993) 36: 2508-2518 [PMID:8355252]
ChEMBL Inhibition of N6-[3H]cyclohexyladenosine binding to adenosine A1 receptor from whole brain membranes B 4.54 pKi 29100 nM Ki J Med Chem (1992) 35: 2342-2345 [PMID:1613758]
ChEMBL Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]PIA as radioligand B 4.54 pKi 29000 nM Ki J Med Chem (1993) 36: 2639-2644 [PMID:8410976]
ChEMBL Binding affinity against adenosine A1 receptor using [3H]-CHA or [3H]PIA as radioligand B 4.54 pKi 29000 nM Ki J Med Chem (1992) 35: 407-422 [PMID:1738138]
ChEMBL Displacement of [3H]PIA from adenosine A1 receptors of rat brain membrane B 4.54 pKi 29000 nM Ki J Med Chem (1994) 37: 3373-3382 [PMID:7932565]
ChEMBL Binding affinity against Adenosine A1 receptor in rat brain membrane, using [3H]N6-cyclohexyladenosine as the radioligand B 4.54 pKi 29000 nM Ki J Med Chem (1989) 32: 2247-2254 [PMID:2795597]
ChEMBL Ability to inhibit binding of [3H]CHA to adenosine A1 receptor in rat brain cortical membranes. B 4.59 pKi 26000 nM Ki J Med Chem (1997) 40: 4396-4405 [PMID:9435909]
ChEMBL Displacement of [3H]CHA from adenosine receptor A1 in rat brain cortical membrane B 4.59 pKi 26000 nM Ki Eur J Med Chem (2017) 125: 652-656 [PMID:27721150]
ChEMBL Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane by liquid scintillation counting B 4.63 pKi 23500 nM Ki J Nat Prod (2002) 65: 1479-1485 [PMID:12398547]
ChEMBL Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane B 4.73 pKi 18800 nM Ki Bioorg Med Chem (2007) 15: 6956-6974 [PMID:17827019]
ChEMBL Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane B 4.73 pKi 18800 nM Ki Bioorg Med Chem (2007) 15: 5003-5017 [PMID:17499511]
ChEMBL Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane B 4.73 pKi 18800 nM Ki Eur J Med Chem (2011) 46: 3590-3607 [PMID:21664729]
ChEMBL Displacement of [3H]CHA from adenosine A1 receptor in rat brain cortical membrane B 4.77 pKi 17000 nM Ki J Nat Prod (1998) 61: 301-305 [PMID:9514015]
ChEMBL Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes after 90 mins by liquid scintillation counting method B 5 pKi >10000 nM Ki J Med Chem (2018) 61: 4301-4316 [PMID:29681156]
Adenosine A1 receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2304404] [UniProtKB: P47745]
ChEMBL Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand B 4 pKi 100000 nM Ki J Med Chem (1992) 35: 3066-3075 [PMID:1501234]
ChEMBL Inhibition of [3H]cyclohexyladenosine binding to guinea pig forebrain membranes Adenosine A1 receptor B 4 pKi >100000 nM Ki J Med Chem (1991) 34: 466-469 [PMID:1992150]
ChEMBL Binding affinity against Adenosine A1 receptor from guinea pig forebrain membranes by N6-[3H]- cyclohexyladenosine displacement. B 4 pKi 100000 nM Ki J Med Chem (1993) 36: 2508-2518 [PMID:8355252]
ChEMBL Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes B 4 pKi 100000 nM Ki J Med Chem (1992) 35: 924-930 [PMID:1548682]
ChEMBL Binding affinity against adenosine A1 receptor from guinea pig forebrain membranes, using N6-[3H]cyclohexyladenosine as radioligand. B 4 pKi 100000 nM Ki J Med Chem (1992) 35: 2342-2345 [PMID:1613758]
A2A receptor/Adenosine A2a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
ChEMBL Displacement of [3H]ZM241385 from stabilized human adenosine receptor A2a expressed in HEK293 cells followed by receptor capturing on Biocore chips by SPR method B 4.6 pKd 25118.86 nM Kd J Med Chem (2011) 54: 4312-4323 [PMID:21661720]
ChEMBL Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membrane B 4.32 pKi 48000 nM Ki J Med Chem (1994) 37: 2970-2975 [PMID:8071944]
ChEMBL Antagonist activity at human adenosine 2A receptor B 4.63 pKi 23400 nM Ki J Med Chem (2020) 63: 12196-12212 [PMID:32667814]
ChEMBL Binding affinity to human adenosine A2A receptor B 4.63 pKi 23400 nM Ki Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167]
ChEMBL Inhibition of human recombinant adenosine receptor A2a F 4.63 pKi 23400 nM Ki J Med Chem (2014) 57: 3623-3650 [PMID:24164628]
ChEMBL Displacement of [3H]DPCPX from recombinant human adenosine A2A receptor B 4.63 pKi 23400 nM Ki J Med Chem (2018) 61: 4301-4316 [PMID:29681156]
ChEMBL Binding affinity to human adenosine A2A receptor by radioligand displacement assay B 4.63 pKi 23400 nM Ki Medchemcomm (2018) 9: 951-962 [PMID:30108984]
ChEMBL Displacement of [3H]MSX from human A2A receptor B 4.63 pKi 23400 nM Ki Bioorg Med Chem (2016) 24: 5462-5480 [PMID:27658798]
ChEMBL Displacement of [3H]MSX2 from recombinant human adenosine A2a receptor expressed in HEK293 cells B 4.63 pKi 23400 nM Ki Bioorg Med Chem (2019) 27: 1195-1210 [PMID:30808606]
ChEMBL Displacement of [3H]MSX2 from human adenosine receptor A2A expressed in HEK293 cell membranes incubated for 30 mins by radioligand competition assay B 4.63 pKi 23400 nM Ki Eur J Med Chem (2020) 186: 111879-111879 [PMID:31780082]
ChEMBL Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells B 4.63 pKi 23400 nM Ki Eur J Med Chem (2011) 46: 3590-3607 [PMID:21664729]
ChEMBL Antagonist activity at human adenosine A2A receptor assessed as cAMP level by cell based assay F 4.63 pKi 23400 nM Ki Bioorg Med Chem Lett (2013) 23: 3427-3433 [PMID:23602401]
ChEMBL Displacement of [3H]MSX-2 from human adenosine A2A receptor expressed in CHO cells B 4.63 pKi 23400 nM Ki Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167]
ChEMBL Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293T cells B 4.74 pKi 18100 nM Ki Bioorg Med Chem (2008) 16: 3825-3830 [PMID:18262425]
ChEMBL Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293T cells by scintillation counting B 4.74 pKi 18100 nM Ki Bioorg Med Chem (2009) 17: 4280-4284 [PMID:19481943]
ChEMBL Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293T cells B 4.74 pKi 18100 nM Ki Bioorg Med Chem (2007) 15: 3235-3240 [PMID:17350268]
ChEMBL DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA) B 4.94 pKi 11493 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting analysis B 5.02 pKi 9560 nM Ki Bioorg Med Chem Lett (2013) 23: 26-36 [PMID:23200243]
ChEMBL Displacement of [3H]ZM241385 from stabilized human adenosine receptor A2a expressed in HEK293 cells followed by receptor capturing on Biocore chips by SPR method B 5.3 pKi 5011.87 nM Ki J Med Chem (2011) 54: 4312-4323 [PMID:21661720]
GtoPdb - - 5.6 pKi - - - Biochem Pharmacol (1999) 57: 65-75 [PMID:9920286];
J Pharmacol Exp Ther (2004) 308: 358-66 [PMID:14563788];
Drug Dev Res (1999) : 45-53
ChEMBL Competitive binding affinity to human adenosine A2A receptor expressed in HEK293 cells after 60 mins by fluorescence polarization assay in presence of MRS5346 B 5.61 pKi 2480 nM Ki Bioorg Med Chem Lett (2013) 23: 26-36 [PMID:23200243]
ChEMBL DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA) B 4.69 pIC50 20472 nM IC50 DrugMatrix in vitro pharmacology data
A2A receptor/Adenosine A2a receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
ChEMBL Binding affinity to Adenosine A2A receptor in rat brain tissue by radioligand displacement assay B 4.3 pKi 50000 nM Ki Bioorg Med Chem (2015) 23: 6641-6649 [PMID:26392370]
ChEMBL Displacement of [3H]-CGS- 21680 from adenosine A2a receptors of rat striatal membrane B 4.32 pKi 48000 nM Ki J Med Chem (1994) 37: 3373-3382 [PMID:7932565]
ChEMBL Displacement of [3H]NECA from adenosine receptor A2a in rat striatial membrane B 4.33 pKi 47200 nM Ki Eur J Med Chem (2017) 125: 652-656 [PMID:27721150]
ChEMBL Displacement of [3H]MSX2 from adenosine receptor A2A in rat brain striatum membranes incubated for 30 mins by radioligand competition assay B 4.35 pKi 45000 nM Ki Eur J Med Chem (2020) 186: 111879-111879 [PMID:31780082]
ChEMBL Binding affinity to the adenosine A2A receptor by displacement of [3H]CGS-21680 in rat brain striatal membrane B 4.37 pKi 43000 nM Ki J Med Chem (2002) 45: 3440-3450 [PMID:12139454]
ChEMBL Displacement of [3H]NECA from adenosine receptor A2a in rat brain striatal membrane B 4.37 pKi 43000 nM Ki Eur J Med Chem (2017) 125: 652-656 [PMID:27721150]
ChEMBL Displacement of [3H]NECA from adenosine receptor A2A in rat striatal membranes B 4.37 pKi 43000 nM Ki Bioorg Med Chem Lett (2016) 26: 5951-5955 [PMID:27836398]
ChEMBL Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane B 4.48 pKi 32800 nM Ki Eur J Med Chem (2011) 46: 3590-3607 [PMID:21664729]
ChEMBL Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membrane B 4.49 pKi 32500 nM Ki Bioorg Med Chem (2007) 15: 6956-6974 [PMID:17827019]
ChEMBL Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane B 4.49 pKi 32500 nM Ki Bioorg Med Chem (2007) 15: 5003-5017 [PMID:17499511]
ChEMBL Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatum membrane B 4.49 pKi 32500 nM Ki Bioorg Med Chem (2010) 18: 2195-2203 [PMID:20188574]
ChEMBL Displacement of [3H]CCPA from rat adenosine A2a receptor B 4.49 pKi 32500 nM Ki Bioorg Med Chem (2019) 27: 1195-1210 [PMID:30808606]
ChEMBL Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatum B 4.49 pKi 32500 nM Ki Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167]
ChEMBL Binding affinity to rat adenosine A2A receptor B 4.49 pKi 32500 nM Ki Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167]
ChEMBL Displacement of [3H]MSX-2 from A2A receptor in rat brain striatal membrane by liquid scintillation counting B 4.49 pKi 32500 nM Ki J Nat Prod (2002) 65: 1479-1485 [PMID:12398547]
GtoPdb - - 4.49 pKi 32500 nM Ki Drug Dev Res (1999) : 45-53;
Pharmacology (1991) 42: 309-21 [PMID:1658821];
Eur J Pharm Sci (2000) 10: 259-65 [PMID:10838015]
ChEMBL Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membranes after 30 mins by liquid scintillation counting method B 4.54 pKi 28700 nM Ki J Med Chem (2018) 61: 4301-4316 [PMID:29681156]
ChEMBL Binding affinity for adenosine A2A receptor from rat brain membranes using [3H]CGS-21680 B 4.64 pKi 23000 nM Ki J Med Chem (1993) 36: 2639-2644 [PMID:8410976]
ChEMBL Ability to inhibit binding of [3H]-CGS- 21680 to adenosine A2A receptor in rat brain striatal membranes. B 4.66 pKi 22000 nM Ki J Med Chem (1997) 40: 4396-4405 [PMID:9435909]
ChEMBL Displacement of [3H]NECA from Sprague-Dawley rat adenosine A2A receptor by scintillation counting B 4.66 pKi 22000 nM Ki Bioorg Med Chem (2008) 16: 8676-8684 [PMID:18723354]
ChEMBL Displacement of [3H]CGS21680 from adenosine receptor A2a in rat brain striatal membrane B 4.66 pKi 22000 nM Ki Eur J Med Chem (2017) 125: 652-656 [PMID:27721150]
ChEMBL Ability to inhibit binding of [3H]NECA to Adenosine A2A receptor in rat brain striatal membranes B 4.8 pKi 16000 nM Ki J Med Chem (1997) 40: 4396-4405 [PMID:9435909]
ChEMBL Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane B 5.03 pKi 9400 nM Ki J Nat Prod (1998) 61: 301-305 [PMID:9514015]
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 4.1 pKi 80000 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 4.3 pKi 50000 nM Ki J Med Chem (1986) 29: 1305-1308 [PMID:3806581]
ChEMBL Antagonism of cyclic [3H]AMP accumulation in guinea pig cerebral cortical slices (elicited by 15 uM 2-chloroadenosine at adenosine A2 receptor) F 4.3 pKi 50000 nM Ki J Med Chem (1985) 28: 487-492 [PMID:2984420]
ChEMBL Antagonist activity at adenosine receptor A2A in [3H]-adenine-labeled guinea pig cerebral cortical slices assessed as inhibition of 2-chloroadenosine-mediated [3H]cAMP accumulation F 4.3 pKi 50000 nM Ki Bioorg Med Chem Lett (2016) 26: 5951-5955 [PMID:27836398]
A2B receptor/Adenosine A2b receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275]
ChEMBL Displacement of [125I]-ABOPX from human recombinant Adenosine A2B receptor expressed in HEK293 cells after 3 hrs B 4.47 pKi 33800 nM Ki J Med Chem (2016) 59: 1967-1983 [PMID:26824742]
ChEMBL Binding affinity to human adenosine A2B receptor by radioligand displacement assay B 4.47 pKi 33800 nM Ki Medchemcomm (2018) 9: 951-962 [PMID:30108984]
ChEMBL Displacement of [3H]PSB-603 from human A2B receptor expressed in CHO cell membrane B 4.47 pKi 33800 nM Ki Bioorg Med Chem (2016) 24: 5462-5480 [PMID:27658798]
ChEMBL Displacement of [3H]PSB-603 from human adenosine A2B receptor expressed in CHO cells B 4.47 pKi 33800 nM Ki Bioorg Med Chem (2010) 18: 2195-2203 [PMID:20188574]
ChEMBL Displacement of [3H]PSB603 from recombinant human adenosine A2b receptor expressed in HEK293 cells B 4.47 pKi 33800 nM Ki Bioorg Med Chem (2019) 27: 1195-1210 [PMID:30808606]
ChEMBL Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells B 4.47 pKi 33800 nM Ki J Med Chem (2009) 52: 3994-4006 [PMID:19569717]
ChEMBL Displacement of [3H]PSB-603 from human adenosine A2B receptor B 4.47 pKi 33800 nM Ki Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167]
ChEMBL Binding affinity to human adenosine A2B receptor B 4.47 pKi 33800 nM Ki Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167]
ChEMBL Displacement of [3H]PSB-603 from human adenosine receptor A2B expressed in CHO cell membranes incubated for 75 mins by radioligand competition assay B 4.47 pKi 33800 nM Ki Eur J Med Chem (2020) 186: 111879-111879 [PMID:31780082]
ChEMBL Inhibition of human adenosine 2B receptor B 4.69 pKi 20500 nM Ki J Med Chem (2020) 63: 12196-12212 [PMID:32667814]
ChEMBL Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells B 4.69 pKi 20500 nM Ki Eur J Med Chem (2011) 46: 3590-3607 [PMID:21664729]
ChEMBL Inhibition of human recombinant adenosine receptor A2b B 4.69 pKi 20500 nM Ki J Med Chem (2014) 57: 3623-3650 [PMID:24164628]
GtoPdb - - 4.98 pKi 10400 nM Ki J Med Chem (2009) 52: 3994-4006 [PMID:19569717];
J Med Chem (2002) 45: 2131-8 [PMID:12014951];
Purinergic Signal (2006) 2: 559-71 [PMID:18404493]
ChEMBL Antagonist activity against human adenosine A2B receptor F 4.98 pKi 10400 nM Ki Eur J Med Chem (2010) 45: 3459-3471 [PMID:20537438]
ChEMBL Displacement of [125I]I-ABOPX from human recombinant adenosine A2B receptor expressed in HEK293 cells B 4.98 pKi 10400 nM Ki J Med Chem (2009) 52: 3994-4006 [PMID:19569717]
ChEMBL Binding affinity at human Adenosine A2B receptor expressed in HEK293 cells, using [125I]ABOPX as radioligand B 4.98 pKi 10400 nM Ki J Med Chem (2002) 45: 2131-2138 [PMID:12014951]
ChEMBL Inhibition of human A2B adenosine receptor B 5 pKi 10000 nM Ki Eur J Med Chem (2019) 163: 763-778 [PMID:30576906]
A2B receptor/Adenosine A2b receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2237] [GtoPdb: 20] [UniProtKB: Q60614]
ChEMBL Displacement of [3H]PSB-603 from recombinant mouse adenosine A2B receptor expressed in CHO cell membranes after 75 mins by liquid scintillation counting method B 4.64 pKi 23000 nM Ki J Med Chem (2018) 61: 4301-4316 [PMID:29681156]
GtoPdb - - 4.89 pKi 13000 nM Ki Biochem Pharmacol (1994) 47: 801-14 [PMID:8135856]
A2B receptor/Adenosine A2b receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2592] [GtoPdb: 20] [UniProtKB: P29276]
GtoPdb - - 4.52 pKi 30000 nM Ki Biochem Pharmacol (1994) 47: 801-14 [PMID:8135856]
ChEMBL Displacement of [3H]PSB-603 from recombinant rat adenosine A2B receptor expressed in CHO cell membranes after 75 mins by liquid scintillation counting method B 4.52 pKi 30000 nM Ki J Med Chem (2018) 61: 4301-4316 [PMID:29681156]
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
ChEMBL Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells B 4 pKi >100000 nM Ki Bioorg Med Chem (2010) 18: 2195-2203 [PMID:20188574]
ChEMBL Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells B 4 pKi >100000 nM Ki Eur J Med Chem (2011) 46: 3590-3607 [PMID:21664729]
ChEMBL Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in HEK293T cells B 4 pKi >100000 nM Ki Bioorg Med Chem (2008) 16: 3825-3830 [PMID:18262425]
ChEMBL Displacement of [3H]PSB-11 from recombinant human adenosine A3 receptor B 4.88 pKi >13300 nM Ki J Med Chem (2018) 61: 4301-4316 [PMID:29681156]
ChEMBL Binding affinity to human adenosine A3 receptor by radioligand displacement assay B 4.88 pKi 13300 nM Ki Medchemcomm (2018) 9: 951-962 [PMID:30108984]
ChEMBL Displacement of [3H]PSB-11 from human A3 receptor expressed in CHO cell membrane B 4.88 pKi 13300 nM Ki Bioorg Med Chem (2016) 24: 5462-5480 [PMID:27658798]
ChEMBL Displacement of [3H]PSB11 from recombinant human adenosine A3 receptor expressed in CHO cells B 4.88 pKi 13300 nM Ki Bioorg Med Chem (2019) 27: 1195-1210 [PMID:30808606]
ChEMBL Binding affinity against human recombinant Adenosine A3 receptor stably expressed in HEK293 cells by displacing [125I]AB-MECA radioligand B 4.88 pKi 13300 nM Ki J Med Chem (2002) 45: 3440-3450 [PMID:12139454]
ChEMBL Displacement of [3H]PSB-11 from human adenosine receptor A3 expressed in CHO cell membranes incubated for 60 mins by radioligand competition assay B 4.88 pKi 13300 nM Ki Eur J Med Chem (2020) 186: 111879-111879 [PMID:31780082]
ChEMBL Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells B 4.88 pKi 13300 nM Ki Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167]
ChEMBL Binding affinity to human adenosine A3 receptor B 4.88 pKi 13300 nM Ki Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167]
GtoPdb - - 4.88 pKi 13300 nM Ki Drug Dev Res (1999) : 45-53
A3 receptor/Adenosine A3 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3360] [GtoPdb: 21] [UniProtKB: P28647]
GtoPdb - - 4 pKi >100000 nM Ki J Med Chem (2009) 52: 3994-4006 [PMID:19569717]
ChEMBL Inhibition of rat recombinant adenosine A3 receptor B 4 pKi >100000 nM Ki J Med Chem (2014) 57: 3623-3650 [PMID:24164628]
ChEMBL Displacement of [3H]NECA from rat adenosine receptor A3 expressed in CHO cell membranes incubated for 60 mins by radioligand competition assay B 4 pKi >100000 nM Ki Eur J Med Chem (2020) 186: 111879-111879 [PMID:31780082]
butyrylcholinesterase/Butyrylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1914] [GtoPdb: 2471] [UniProtKB: P06276]
ChEMBL Inhibition of human BuChE using S-butyrylthiocholine iodide as substrate treated 5 mins before substrate addition measured up to 4 mins by Ellman's method B 4.3 pIC50 >50000 nM IC50 Bioorg Med Chem Lett (2013) 23: 4336-4341 [PMID:23791077]
Glycogen phosphorylase, muscle form in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4696] [UniProtKB: P00489]
ChEMBL Binding affinity to rabbit muscular GPa,b by NMR binding assay B 4 pIC50 100000 nM IC50 J Med Chem (2012) 55: 1287-1295 [PMID:22229710]
ChEMBL Inhibition of rabbit muscle glycogen phosphorylase a assessed as glycogen synthesis B 4.08 pIC50 83100 nM IC50 J Nat Prod (2008) 71: 1877-1880 [PMID:18847277]
ChEMBL Inhibition of rabbit muscle glycogen phosphorylase assessed as release of phosphate from glucose-1-phosphate after 25 mins B 4.12 pIC50 75300 nM IC50 J Nat Prod (2009) 72: 1414-1418 [PMID:19642687]
ChEMBL Inhibition of rabbit muscle glycogen phosphorylase a B 4.12 pIC50 75300 nM IC50 Bioorg Med Chem Lett (2011) 21: 338-341 [PMID:21123066]
ChEMBL Inhibition of rabbit muscle glycogen phosphorylase a assessed as release of phosphate from glucose-1-phosphate after 25 mins using malachite green staining B 4.12 pIC50 75300 nM IC50 Bioorg Med Chem Lett (2012) 22: 1036-1039 [PMID:22204907]
ChEMBL Inhibition of rabbit muscle glycogen phosphorylase A assessed as release of phosphate from glucose-1-phosphate after 25 mins B 4.13 pIC50 74900 nM IC50 Bioorg Med Chem Lett (2009) 19: 6966-6969 [PMID:19889536]
Guanine deaminase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3129] [UniProtKB: Q9Y2T3]
ChEMBL Inhibition of GDA by colorimetric assay B 4.99 pKi 10200 nM Ki Bioorg Med Chem (2010) 18: 6748-6755 [PMID:20716488]
Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809]
ChEMBL Inhibition of human ERG B 5.31 pIC50 5.31 - pIC50 Eur J Med Chem (2011) 46: 618-630 [PMID:21185626]
Monoamine oxidase A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1951] [GtoPdb: 2489] [UniProtKB: P21397]
ChEMBL Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 30 mins followed by addition of p-tyramine as substrate measured over 45 mins by Amplex Red MAO assay B 4.3 pIC50 >50000 nM IC50 Bioorg Med Chem (2016) 24: 5462-5480 [PMID:27658798]
Monoamine oxidase B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2039] [GtoPdb: 2490] [UniProtKB: P27338]
ChEMBL Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 30 mins followed by addition of p-tyramine as substrate measured over 45 mins by Amplex Red MAO assay B 4.3 pIC50 >50000 nM IC50 Bioorg Med Chem (2016) 24: 5462-5480 [PMID:27658798]
phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit delta/PI3-kinase p110-delta subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3130] [GtoPdb: 2155] [UniProtKB: O00329]
ChEMBL Inhibition of PI3Kdelta (unknown origin) B 4.12 pIC50 75000 nM IC50 Medchemcomm (2012) 3: 1337-1355

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]