cyclopentyladenosine [Ligand Id: 380] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL68738 (CCPA, Cyclopentyladenosine)
  • 23S rRNA methylase leader peptide in Escherichia coli [ChEMBL: CHEMBL5291611] [UniProtKB: P10739]
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  • 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 Mouse [ChEMBL: CHEMBL3688] [GtoPdb: 18] [UniProtKB: Q60612]
  • A1 receptor/Adenosine A1 receptor in Rat [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
  • Adenosine A1 receptor in Guinea pig [ChEMBL: CHEMBL2304404] [UniProtKB: P47745]
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  • A2A receptor/Adenosine A2a receptor in Human [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
  • A2A receptor/Adenosine A2a receptor in Mouse [ChEMBL: CHEMBL2115] [GtoPdb: 19] [UniProtKB: Q60613]
  • A2A receptor/Adenosine A2a receptor in Rat [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
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  • A2B receptor/Adenosine A2b receptor in Human [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275]
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  • A3 receptor/Adenosine A3 receptor in Human [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
  • A3 receptor/Adenosine A3 receptor in Mouse [ChEMBL: CHEMBL1075269] [GtoPdb: 21] [UniProtKB: Q61618]
  • A3 receptor/Adenosine A3 receptor in Rat [ChEMBL: CHEMBL3360] [GtoPdb: 21] [UniProtKB: P28647]
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  • D5 receptor/Dopamine D5 receptor in Human [ChEMBL: CHEMBL1850] [GtoPdb: 218] [UniProtKB: P21918]
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  • Equilibrative nucleoside transporter 1 in Human [ChEMBL: CHEMBL1997] [GtoPdb: 1117] [UniProtKB: Q99808]
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  • Erythromycin resistance protein in Bacillus subtilis [ChEMBL: CHEMBL4251] [UniProtKB: P13956]
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  • sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Human [ChEMBL: CHEMBL287] [GtoPdb: 2552] [UniProtKB: Q99720]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
23S rRNA methylase leader peptide in Escherichia coli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5291611] [UniProtKB: P10739]
ChEMBL Inhibition of Escherichia coli ErmC methyltransferase B 4.2 pIC50 63000 nM IC50 RSC Med Chem (2023) 14: 624-643 [PMID:37122541]
A1 adenosine receptor in Pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075029] [UniProtKB: Q4VQ11]
ChEMBL Displacement of [3H]CGS21680 from adenosine A1 receptor in pig striatum membrane B 6.09 pKi 810 nM Ki Bioorg Med Chem (2008) 16: 336-353 [PMID:17933541]
ChEMBL Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane B 9.28 pKi 0.53 nM Ki Bioorg Med Chem (2008) 16: 336-353 [PMID:17933541]
ChEMBL Agonist activity at adenosine A1 receptor in pig cortical membrane assessed as stimulation of GTPgammaS binding F 8.1 pEC50 7.9 nM EC50 Bioorg Med Chem (2008) 16: 336-353 [PMID:17933541]
A1 receptor/Adenosine A1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542]
ChEMBL Displacement of [3H]CPX from adenosine A1 receptor in DDT1MF-2 cells B 7.67 pKi 21.5 nM Ki Bioorg Med Chem (2008) 16: 1861-1873 [PMID:18042389]
ChEMBL Displacement of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cells B 8 pKi 10 nM Ki J Med Chem (2005) 48: 2045-2053 [PMID:15771447]
ChEMBL Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells B 8 pKi 10 nM Ki Bioorg Med Chem (2008) 16: 2741-2752 [PMID:18258439]
ChEMBL Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membrane B 8 pKi 10 nM Ki J Med Chem (2008) 51: 4449-4455 [PMID:18637670]
ChEMBL Binding affinity to adenosine A1 receptor (unknown origin) B 8.23 pKi 5.9 nM Ki J Med Chem (2016) 59: 788-809 [PMID:26356532]
ChEMBL Displacement of [3H]N6-R-phenylisopropyladenosine from human A1A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay B 8.64 pKi 2.3 nM Ki J Med Chem (2019) 62: 1502-1522 [PMID:30605331]
ChEMBL Displacement of [3H]DPCPX from recombinant human A1 receptor expressed in CHO cell membranes B 8.64 pKi 2.3 nM Ki Medchemcomm (2018) 9: 1920-1932 [PMID:30568760]
ChEMBL Radioligand Binding Assay: Membranes for radioligand binding experiments are prepared from fresh or frozen cells as described in Klotz et al., Naunyn-Schmiedeberg's Arch. Pharmacol, 357:1-9 (1998). The cell suspension is then homogenized in ice-cold hypotonic buffer (5 mM Tris/HCl, 2 mM EDTA, pH 7.4) and the homogenate is spun for 10 minutes (4° C.) at 1,000 g. The membranes are then sedimented from the supernatant for 30 minutes at 100,000 g and resuspended in 50 mM Tris/HCl buffer pH 7.4 (for A3 adenosine receptors: 50 mM Tris/HCl, 10 mM MgCl2, 1 mM EDTA, pH 8.25), frozen in liquid nitrogen at a protein concentration of 1-3 mg/mL and stored at −80° C. Dissociation constants of unlabeled compounds (Ki-values) are determined in competition experiments in 96-well microplates using the A1 selective agonist 2-chloro-N6-[3H]cyclopentyladenosine ([3H]CCPA, 1 nM) for the characterization of A1 receptor binding. Nonspecific binding is determined in the presence of 100 μM R-PM and 1 mM theophylline, respectively. B 8.64 pKi 2.3 nM Ki US-8470800-B2. Method of reducing intraocular pressure in humans (2013)
ChEMBL Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells B 8.65 pKi 2.25 nM Ki Bioorg Med Chem (2008) 16: 336-353 [PMID:17933541]
ChEMBL Displacement of [3H]R-PIA from human A1 adenosine receptor expressed in CHO cells after 60 min by Perkin Elmer Liquid Scintillation Analyzer B 8.74 pKi 1.8 nM Ki J Med Chem (2012) 55: 8075-8090 [PMID:22921089]
ChEMBL Displacement of [3H]R-PIA or [3H]CGS 21680 from human adenosine A1 receptor in CHO cells B 9.35 pKi 0.45 nM Ki J Med Chem (2005) 48: 8103-8107 [PMID:16366590]
GtoPdb - - 9.4 pKi - - - J Biol Chem (1994) 269: 32077-84 [PMID:7798201];
J Biol Chem (1999) 274: 3617-21 [PMID:9920910];
Biochem Pharmacol (2004) 68: 1985-93 [PMID:15476669];
Br J Pharmacol (2006) 147: 533-41 [PMID:16444290];
Eur J Pharmacol (2005) 510: 1-8 [PMID:15740718];
Biochem Pharmacol (1998) 56: 1437-45 [PMID:9827575];
Nat Rev Drug Discov (2006) 5: 247-64 [PMID:16518376]
ChEMBL Agonist activity at adenosine A1 receptor assessed as inhibition of isoproterenol-stimulated cAMP accumulation in DDT1MF-2 cells F 8.57 pIC50 2.7 nM IC50 Bioorg Med Chem (2008) 16: 1861-1873 [PMID:18042389]
ChEMBL Agonist activity at human A1AR expressed in HEK293T/17 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 10 mins by luciferase reporter assay F 8.2 pEC50 6.3 nM EC50 J Med Chem (2012) 55: 6467-6477 [PMID:22738238]
ChEMBL Stimulation of [35S]GTP-gamma-S, binding to human adenosine A1 receptor F 8.38 pEC50 4.15 nM EC50 J Med Chem (2000) 43: 2196-2203 [PMID:10841798]
ChEMBL Compound was evaluated for the Adenosine A1 receptor agonist potency. F 9.72 pEC50 0.19 nM EC50 Bioorg Med Chem Lett (1996) 6: 811-814
Adenosine A1 receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4975] [UniProtKB: P28190]
ChEMBL Displacement of [3H]CGS21680 from adenosine A1 receptor in bovine striatum membrane B 5.91 pKi 1220 nM Ki Bioorg Med Chem (2008) 16: 336-353 [PMID:17933541]
ChEMBL Displacement of [3H]CCPA from adenosine A1 receptor in bovine cortical membrane B 9.4 pKi 0.4 nM Ki Bioorg Med Chem (2008) 16: 336-353 [PMID:17933541]
ChEMBL Inhibitory activity at Adenosine A1 receptor by inhibition of [3H]CHA binding to bovine brain cortical membranes. B 9.52 pKi 0.3 nM Ki J Med Chem (1998) 41: 1708-1715 [PMID:9572897]
ChEMBL Ability to displace the specific binding of [3H]CHA to adenosine A1 receptor from bovine brain cortical membranes B 9.52 pKi 0.3 nM Ki J Med Chem (2000) 43: 2814-2823 [PMID:10956189]
A1 receptor/Adenosine A1 receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3688] [GtoPdb: 18] [UniProtKB: Q60612]
ChEMBL Displacement of [3H]N6-R-phenylisopropyladenosine from mouse A1A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay B 9.66 pKi 0.22 nM Ki J Med Chem (2019) 62: 1502-1522 [PMID:30605331]
A1 receptor/Adenosine A1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
ChEMBL Displacement of [3H]DPCPX from Sprague-Dawley rat whole brain membrane A1AR in presence of GTP by radioligand binding assay B 4.53 pKi 29500 nM Ki Bioorg Med Chem Lett (2020) 30: 127274-127274 [PMID:32631506]
ChEMBL Binding affinity for Adenosine A1 receptor in corpora striata of rats using [3H]NECA B 6.34 pKi 462 nM Ki J Med Chem (1990) 33: 2240-2254 [PMID:2374150]
ChEMBL Binding affinity towards rat Adenosine A1 receptor using [3H]-DPCPX B 6.64 pKi 230 nM Ki Bioorg Med Chem Lett (2001) 11: 815-818 [PMID:11277527]
ChEMBL Binding affinity against low affinity component of adenosine A1 receptors from rat brain membranes using [3H]-DPCPX B 6.89 pKi 130 nM Ki J Med Chem (1992) 35: 2363-2368 [PMID:1619615]
ChEMBL Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes in presence of 0.1 mM GTP B 7 pKi 99.21 nM Ki Bioorg Med Chem (2015) 23: 6641-6649 [PMID:26392370]
ChEMBL Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain membranes in presence of GTP by radioligand competition assay B 7 pKi 99 nM Ki Medchemcomm (2019) 10: 300-309 [PMID:30881617]
ChEMBL Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat brain cortical membranes in presence of 0.1 mM GTP B 7.2 pKi 63.08 nM Ki Bioorg Med Chem (2015) 23: 6641-6649 [PMID:26392370]
ChEMBL Displacement of [3H]-DPCPX from Adenosine A1 receptor in rat brain cortical membranes in presence of GTP B 7.45 pKi 35.2 nM Ki Bioorg Med Chem (2015) 23: 6641-6649 [PMID:26392370]
ChEMBL Affinity for the Adenosine A1 receptor in the presence of GTP (A1+GTP) by using [3H]-DPCPX as radioligand B 7.45 pKi 35.2 nM Ki J Med Chem (1995) 38: 4000-4006 [PMID:7562934]
ChEMBL Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the presence of GTP. B 7.45 pKi 35.2 nM Ki J Med Chem (1998) 41: 102-108 [PMID:9438026]
ChEMBL Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the presence of GTP. B 7.45 pKi 35.2 nM Ki J Med Chem (1998) 41: 102-108 [PMID:9438026]
ChEMBL Displacement of [3H]DPCPX (with GTP) from Adenosine A1 receptor of rat cortical membrane B 7.46 pKi 35 nM Ki J Med Chem (1996) 39: 1463-1471 [PMID:8691477]
ChEMBL Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes B 7.82 pKi 15.3 nM Ki Bioorg Med Chem (2015) 23: 6641-6649 [PMID:26392370]
ChEMBL Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat whole brain membranes in absence of GTP B 7.82 pKi 15.3 nM Ki Bioorg Med Chem (2015) 23: 6641-6649 [PMID:26392370]
ChEMBL Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain membranes after 1 hr by scintillation counting analysis B 7.98 pKi 10.4 nM Ki Eur J Med Chem (2015) 104: 177-188 [PMID:26462195]
ChEMBL Displacement of [3H]DPCPX from adenosine A1 receptor in Sprague-Dawley rat whole brain after 1 hr by scintillation counting B 8.07 pKi 8.48 nM Ki Bioorg Med Chem Lett (2016) 26: 734-738 [PMID:26776359]
ChEMBL Displacement of [3H]PD116948 from Long-Evans rat whole brain membrane A1AR incubated for 60 mins by liquid scintillation counting analysis B 8.1 pKi 7.9 nM Ki Bioorg Med Chem Lett (2020) 30: 127274-127274 [PMID:32631506]
ChEMBL Displacement of [3H]-DPCPX from Adenosine A1 receptor in rat whole brain membranes B 8.1 pKi 7.9 nM Ki Bioorg Med Chem (2015) 23: 6641-6649 [PMID:26392370]
ChEMBL Displacement of [3H]CHA from adenosine A1 receptor in rat brain membranes B 8.1 pKi 7.9 nM Ki Medchemcomm (2019) 10: 300-309 [PMID:30881617]
ChEMBL Affinity towards adenosine A1 receptor from rat cortical membranes using [3H]DPCPX B 8.15 pKi 7.14 nM Ki J Med Chem (2001) 44: 2966-2975 [PMID:11520205]
ChEMBL Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain membranes by radioligand competition assay B 8.17 pKi 6.8 nM Ki Medchemcomm (2019) 10: 300-309 [PMID:30881617]
ChEMBL Displacement of [3H]-DPCPX from Adenosine A1 receptor in rat brain cortical membranes in absence of GTP B 8.23 pKi 5.9 nM Ki Bioorg Med Chem (2015) 23: 6641-6649 [PMID:26392370]
ChEMBL Displacement of [3H]DPCPX from rat cortical membranes Adenosine A1 receptor B 8.23 pKi 5.9 nM Ki J Med Chem (1999) 42: 1393-1400 [PMID:10212125]
ChEMBL Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the absence of GTP B 8.23 pKi 5.9 nM Ki J Med Chem (1998) 41: 102-108 [PMID:9438026]
ChEMBL Binding affinity against adenosine A1 receptor using [3H]DPCPX in rat cortical membranes in the absence of GTP B 8.23 pKi 5.9 nM Ki J Med Chem (1998) 41: 102-108 [PMID:9438026]
ChEMBL Displacement of [3H]DPCPX (without GTP) from Adenosine A1 receptor of rat cortical membrane B 8.23 pKi 5.9 nM Ki J Med Chem (1996) 39: 1463-1471 [PMID:8691477]
ChEMBL Affinity for the Adenosine A1 receptor in the absence of GTP (A1-GTP) by using [3H]DPCPX as radioligand B 8.23 pKi 5.9 nM Ki J Med Chem (1995) 38: 4000-4006 [PMID:7562934]
ChEMBL Binding affinity for Adenosine A1 receptor of rat cortical membrane by displacing [3H]DPCPX B 8.23 pKi 5.9 nM Ki Bioorg Med Chem Lett (2000) 10: 2141-2144 [PMID:10999489]
ChEMBL Displacement of [3H]DPCPX from Sprague-Dawley rat whole brain membrane A1AR by scintillation counting analysis B 8.29 pKi 5.1 nM Ki Bioorg Med Chem Lett (2020) 30: 127274-127274 [PMID:32631506]
ChEMBL Binding affinity for adenosine A1 receptor was assayed by displacement of [3H]DPCPX from rat cortical membranes. B 8.29 pKi 5.07 nM Ki J Med Chem (2000) 43: 250-260 [PMID:10649980]
ChEMBL Displacement of [3H]-DPCPX from Adenosine A1 receptor in Sprague-Dawley rat brain cortical membranes in absence of GTP B 8.35 pKi 4.43 nM Ki Bioorg Med Chem (2015) 23: 6641-6649 [PMID:26392370]
ChEMBL Displacement of [3H]R-PIA from rat brain membrane Adenosine A1 receptor B 8.82 pKi 1.5 nM Ki J Med Chem (2000) 43: 2196-2203 [PMID:10841798]
ChEMBL Binding affinity against adenosine A1 receptor in rat brain membranes using [3H]CHA as radioligand B 8.92 pKi 1.21 nM Ki J Med Chem (1992) 35: 241-252 [PMID:1732541]
ChEMBL Tested for inhibition of adenosine A1 receptor binding to rat brain B 8.92 pKi 1.2 nM Ki Bioorg Med Chem Lett (1993) 3: 2661-2666
ChEMBL Displacement of [3H]R-PIA from adenosine A1 receptor of Wistar rat forebrain B 8.92 pKi 1.2 nM Ki J Med Chem (1999) 42: 3463-3477 [PMID:10479279]
ChEMBL Displacement of [3H]PIA from adenosine A1 receptor of rat brain membranes B 9.1 pKi 0.8 nM Ki J Med Chem (1988) 31: 1179-1183 [PMID:3373486]
ChEMBL Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex membrane B 9.1 pKi 0.8 nM Ki Bioorg Med Chem (2010) 18: 2195-2203 [PMID:20188574]
ChEMBL Binding affinity against high affinity component of adenosine A1 receptors from rat brain membranes using [3H]DPCPX B 9.1 pKi 0.8 nM Ki J Med Chem (1992) 35: 2363-2368 [PMID:1619615]
ChEMBL Binding affinity against adenosine A1 receptors from rat brain membranes using [3H]CCPA B 9.1 pKi 0.8 nM Ki J Med Chem (1992) 35: 2363-2368 [PMID:1619615]
ChEMBL Affinity for Adenosine A1 receptor determined by [3H]N6-cyclohexyladenosine binding to rat brain membranes B 9.22 pKi 0.6 nM Ki Bioorg Med Chem Lett (1991) 1: 481-486
ChEMBL Binding affinity against Adenosine A1 receptor using [3H]CHA in rat brain membranes B 9.23 pKi 0.59 nM Ki J Med Chem (1989) 32: 8-11 [PMID:2909748]
ChEMBL Inhibition of [3H]PIA binding to rat cortical adenosine A1 receptor B 9.23 pKi 0.59 nM Ki J Med Chem (1992) 35: 4143-4149 [PMID:1433217]
ChEMBL Binding affinity at adenosine A1 receptor from rat brain membranes by [3H]N6-cyclohexyladenosine displacement. B 9.23 pKi 0.59 nM Ki J Med Chem (1988) 31: 1282-1285 [PMID:3385722]
ChEMBL Binding affinity towards adenosine A1 receptor on rat whole brain membrane using [3H]N6-cyclohexyladenosine B 9.23 pKi 0.59 nM Ki J Med Chem (1988) 31: 271-273 [PMID:3336027]
ChEMBL Tested for the binding affinity of A1 receptor by displacing the [3H]-PIA in rat brain membranes B 9.23 pKi 0.59 nM Ki J Med Chem (1994) 37: 3614-3621 [PMID:7932588]
ChEMBL Binding affinity against adenosine A1 receptor using [3H]-CHA or [3H]PIA as radioligand B 9.23 pKi 0.59 nM Ki J Med Chem (1992) 35: 407-422 [PMID:1738138]
ChEMBL Binding affinity against Adenosine A1 receptor using N6-[3H]cyclohexyladenosine in rat brain membranes B 9.23 pKi 0.59 nM Ki J Med Chem (1992) 35: 924-930 [PMID:1548682]
ChEMBL Inhibition of binding of [3H]N6-cyclohexyladenosine to adenosine A1 receptor of rat whole brain membranes. B 9.23 pKi 0.59 nM Ki J Med Chem (1989) 32: 1667-1673 [PMID:2754691]
ChEMBL Displacement of [3H]CHA from adenosine A1 receptor of rat whole brain B 9.23 pKi 0.59 nM Ki J Med Chem (1985) 28: 1383-1384 [PMID:2995663]
ChEMBL Evaluated for the binding affinity towards the Adenosine A1 receptor in corpora striata of rats using [3H]CHA as radioligand. B 9.23 pKi 0.59 nM Ki J Med Chem (1990) 33: 2240-2254 [PMID:2374150]
ChEMBL Inhibition of [3H]- (R)-P1A binding to adenosine A1 receptor B 9.35 pKi 0.45 nM Ki J Med Chem (1991) 34: 3388-3390 [PMID:1766003]
ChEMBL Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor B 9.49 pKi 0.32 nM Ki J Med Chem (1990) 33: 3127-3130 [PMID:2258897]
ChEMBL Inhibition of [3H]CHA (N6-cyclohexyl adenosine) to rat brain membrane Adenosine A1 receptor B 9.52 pKi 0.3 nM Ki J Med Chem (2002) 45: 1196-1202 [PMID:11881988]
ChEMBL Inhibition of photolabeling of 24 kDa polypeptide in adenosine A1 receptor B 4.85 pIC50 14000 nM IC50 J Med Chem (1988) 31: 752-756 [PMID:3351851]
ChEMBL Inhibition of photolabeling of 34 kDa polypeptide in adenosine A1 receptor B 4.96 pIC50 11000 nM IC50 J Med Chem (1988) 31: 752-756 [PMID:3351851]
ChEMBL Binding affinity towards adenosine A1 receptor rat brain membranes with 1 M NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding B 6.14 pIC50 720 nM IC50 J Med Chem (1988) 31: 745-751 [PMID:3351850]
ChEMBL Evaluated for the binding affinity towards the Adenosine A1 receptor in cerebral cortices of Sprague-Dawley male rats using [3H]CHA as radioligand. B 6.19 pIC50 640 nM IC50 J Med Chem (1990) 33: 2240-2254 [PMID:2374150]
ChEMBL Displacement of [3H]DPCPX from rat brain cortical membrane A1AR in presence of 100 uM of GTP by scintillation counting analysis B 6.27 pIC50 537.6 nM IC50 Eur J Med Chem (2020) 186: 111879-111879 [PMID:31780082]
ChEMBL Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain cortical membrane in presence of 100 uM GTP B 6.81 pIC50 154 nM IC50 Bioorg Med Chem (2010) 18: 2195-2203 [PMID:20188574]
ChEMBL Displacement of [3H]DPCPX from rat brain cortical membrane A1AR in absence of GTP by scintillation counting analysis B 7.19 pIC50 64.7 nM IC50 Eur J Med Chem (2020) 186: 111879-111879 [PMID:31780082]
ChEMBL Inhibition of Adenylate cyclase activity in rat fat cell membrane at adenosine A1 receptor B 7.24 pIC50 58 nM IC50 J Med Chem (1988) 31: 1179-1183 [PMID:3373486]
ChEMBL Displacement of [3H]DPCPX from rat brain cortical membrane A1AR assessed as GTP shift B 8.08 pIC50 8.3 nM IC50 Eur J Med Chem (2020) 186: 111879-111879 [PMID:31780082]
ChEMBL Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain cortical membrane in absence of 100 uM GTP B 8.15 pIC50 7.09 nM IC50 Bioorg Med Chem (2010) 18: 2195-2203 [PMID:20188574]
ChEMBL Concentration required for 50% inhibition of [3H]-CHA binding on rat brain adenosine A1 receptor B 9 pIC50 1 nM IC50 J Med Chem (1991) 34: 2570-2579 [PMID:1875349]
ChEMBL Binding affinity to adenosine A1 receptor of rat brain membranes without NaCl by inhibition of [125-I]-labeled aminobenzyl adenosine binding B 9.46 pIC50 0.35 nM IC50 J Med Chem (1988) 31: 745-751 [PMID:3351850]
ChEMBL Evaluated for binding affinity against Adenosine A1 receptor B 9.49 pIC50 0.32 nM IC50 J Med Chem (1992) 35: 629-635 [PMID:1542091]
ChEMBL Stimulation of [35S]GTP-gamma-S, binding to adenosine A1 receptor of rat cerebral cortical membrane F 7.69 pEC50 20.3 nM EC50 J Med Chem (2000) 43: 2196-2203 [PMID:10841798]
ChEMBL Agonist activity at adenosine A1 receptor in rat cortical membrane by [35S]GTPgammaS binding assay F 7.77 pEC50 16.9 nM EC50 J Nat Prod (2002) 65: 1479-1485 [PMID:12398547]
ChEMBL Effective concentration for [35S]GTP-gamma-S, binding to adenosine A1 receptor in rat brain membranes F 7.84 pEC50 14.3 nM EC50 J Med Chem (1998) 41: 102-108 [PMID:9438026]
ChEMBL Effective concentration for [35S]GTP-gamma-S, binding to adenosine A1 receptor in rat brain membranes F 7.84 pEC50 14.3 nM EC50 J Med Chem (1998) 41: 102-108 [PMID:9438026]
ChEMBL Stimulation of [35S]GTP-gamma-S, binding to rat brain membranes by adenosine A1 receptor activation F 7.88 pEC50 13.3 nM EC50 J Med Chem (2000) 43: 250-260 [PMID:10649980]
Adenosine A1 receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2304404] [UniProtKB: P47745]
ChEMBL Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 19.5+/-12.0 B 7.71 pKi 19.5 nM Ki low Bioorg Med Chem Lett (2004) 14: 3793-3797 [PMID:15203164]
ChEMBL Binding affinity against adenosine A1 receptor using [3H]CCPA in guinea pig DDT membrane B 9.1 pKi 0.8 nM Ki high Bioorg Med Chem Lett (2004) 14: 3793-3797 [PMID:15203164]
ChEMBL Inhibition of N6-[3H]cyclohexyladenosine binding to guinea pig forebrain membrane Adenosine A1 receptor B 9.49 pKi 0.32 nM Ki J Med Chem (1992) 35: 924-930 [PMID:1548682]
ChEMBL Prolongation of the stimulus-QRS interval by 50% of the maximum response at the adenosine A1 receptor in langendorff guinea pig heart preparation F 7.9 pEC50 12.59 nM EC50 J Med Chem (1991) 34: 1334-1339 [PMID:2016707]
A2A receptor/Adenosine A2a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
ChEMBL Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cell membrane B 5.77 pKi 1700 nM Ki J Med Chem (2008) 51: 4449-4455 [PMID:18637670]
ChEMBL Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells B 5.78 pKi 1652 nM Ki Bioorg Med Chem (2008) 16: 2741-2752 [PMID:18258439]
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 6.09 pKi 814 nM Ki Bioorg Med Chem Lett (2013) 23: 26-36 [PMID:23200243]
GtoPdb - - 6.1 pKi - - - Biochem Pharmacol (2004) 68: 1985-93 [PMID:15476669];
Naunyn Schmiedebergs Arch Pharmacol (1998) 357: 1-9 [PMID:9459566];
Nat Rev Drug Discov (2006) 5: 247-64 [PMID:16518376]
ChEMBL Displacement of [3H]2-[p-(2-carboxyethyl)phenylethylamino]-5-N-ethylcarboxamidoadenosine from human A2A adenosine receptor expressed in HEK293 cell membranes after 60 mins by scintillation proximity assay B 6.1 pKi 794 nM Ki J Med Chem (2019) 62: 1502-1522 [PMID:30605331]
ChEMBL Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cells B 6.1 pKi 794 nM Ki Bioorg Med Chem (2008) 16: 336-353 [PMID:17933541]
ChEMBL Displacement of [3H]CGS21680 from human A2a adenosine receptor expressed in HEK293 cells after 60 min by Perkin Elmer Liquid Scintillation Analyzer B 6.1 pKi 794 nM Ki J Med Chem (2012) 55: 8075-8090 [PMID:22921089]
ChEMBL Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting analysis B 6.1 pKi 794 nM Ki Bioorg Med Chem Lett (2013) 23: 26-36 [PMID:23200243]
ChEMBL Displacement of [3H]-ZM 241385 binding to human adenosine A2A receptor expressed in CHO cells B 6.1 pKi 790 nM Ki J Med Chem (2005) 48: 2045-2053 [PMID:15771447]
ChEMBL Displacement of [3H]R-PIA or [3H]CGS 21680 from human adenosine A2A receptor in CHO cells B 6.34 pKi 462 nM Ki J Med Chem (2005) 48: 8103-8107 [PMID:16366590]
ChEMBL Ability to displace the specific binding of [3H]-CGS- to adenosine A2A receptor form bovine brain striatal membranes B 6.41 pKi 390 nM Ki J Med Chem (2000) 43: 2814-2823 [PMID:10956189]
ChEMBL Inhibitory activity at Adenosine A2A receptor by inhibition of [3H]-CGS- 21680 binding to bovine striatal membranes. B 6.41 pKi 385 nM Ki J Med Chem (1998) 41: 1708-1715 [PMID:9572897]
A2A receptor/Adenosine A2a receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2115] [GtoPdb: 19] [UniProtKB: Q60613]
ChEMBL Displacement of [3H]2-[p-(2-carboxyethyl)phenylethylamino]-5-N-ethylcarboxamidoadenosine from mouse A2A adenosine receptor expressed in HEK293 cell membranes after 60 mins by scintillation proximity assay B 6.09 pKi 808 nM Ki J Med Chem (2019) 62: 1502-1522 [PMID:30605331]
A2A receptor/Adenosine A2a receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
ChEMBL Binding affinity for adenosine A2A receptor was determined by displacement of [3H]-DPCPX from rat striatal membranes. B 5.47 pKi 3370 nM Ki J Med Chem (2000) 43: 250-260 [PMID:10649980]
ChEMBL Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatum membrane B 5.61 pKi 2470 nM Ki Bioorg Med Chem (2010) 18: 2195-2203 [PMID:20188574]
GtoPdb - - 6.02 pKi 950 nM Ki . A3 Adenosine Receptors from Cell Biology to Pharmacology and Therapeutics (2010)
ChEMBL Displacement of specific [3H]-CGS- 21680 binding to adenosine A2A receptor in rat striatal membranes B 6.07 pKi 857 nM Ki J Med Chem (2000) 43: 2196-2203 [PMID:10841798]
ChEMBL Binding affinity against Adenosine A2A receptor using [3H]-CGS- 21680 as the radioligand in rat striatal membranes B 6.24 pKi 580 nM Ki J Med Chem (1998) 41: 102-108 [PMID:9438026]
ChEMBL Binding affinity for adenosine A2A receptor of rat striatal membrane by displacing [3H]-ZM 241385 B 6.24 pKi 580 nM Ki Bioorg Med Chem Lett (2000) 10: 2141-2144 [PMID:10999489]
ChEMBL Binding affinity against Adenosine A2A receptor by using [3H]CGS-21680 as radioligand B 6.24 pKi 580 nM Ki J Med Chem (1995) 38: 4000-4006 [PMID:7562934]
ChEMBL Binding affinity against Adenosine A2A receptor using [3H]-CGS- 21680 as the radioligand in rat striatal membranes B 6.24 pKi 580 nM Ki J Med Chem (1998) 41: 102-108 [PMID:9438026]
ChEMBL Displacement of [3H]-CGS- 21980 from Adenosine A2A receptor of rat striatal membranes B 6.24 pKi 580 nM Ki J Med Chem (1999) 42: 1393-1400 [PMID:10212125]
ChEMBL Displacement of [3H]NECA from Sprague-Dawley rat striatal membrane A2A adenosine receptor by scintillation counting analysis B 6.25 pKi 557 nM Ki Bioorg Med Chem Lett (2020) 30: 127274-127274 [PMID:32631506]
ChEMBL Tested for the binding affinity of A2a receptor by displacing the [3H]-CGS- 21680 in rat striatal membranes B 6.34 pKi 462 nM Ki J Med Chem (1994) 37: 3614-3621 [PMID:7932588]
ChEMBL Displacement of [3H]NECA from rat striatal A2A adenosine receptor B 6.34 pKi 460 nM Ki Bioorg Med Chem Lett (2020) 30: 127274-127274 [PMID:32631506]
ChEMBL Displacement of [3H]-NECA from Adenosine A2A receptor in rat striatal membranes B 6.34 pKi 460 nM Ki Bioorg Med Chem (2015) 23: 6641-6649 [PMID:26392370]
ChEMBL Affinity to Adenosine A2A receptor of rat brain striatum using [3H]-CGS- 21680 B 6.42 pKi 380 nM Ki J Med Chem (2002) 45: 1196-1202 [PMID:11881988]
ChEMBL Displacement of [3H]-NECA from Adenosine A2A receptor in Sprague-Dawley rat striatal membranes B 6.48 pKi 331 nM Ki Bioorg Med Chem (2015) 23: 6641-6649 [PMID:26392370]
ChEMBL Displacement of [3H]-CGS- 21680 from adenosine A2A receptor of rat striatal tissue B 6.49 pKi 321 nM Ki J Med Chem (1999) 42: 3463-3477 [PMID:10479279]
ChEMBL Displacement of [3H]NECA from adenosine A2A receptor in rat striatal membranes by radioligand competition assay B 6.79 pKi 163 nM Ki Medchemcomm (2019) 10: 300-309 [PMID:30881617]
A2B receptor/Adenosine A2b receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275]
ChEMBL Displacement of [3H]- ZM-241385 from human adenosine A2B receptor expressed in HEK cells B 4.67 pKi 21200 nM Ki J Med Chem (2000) 43: 2196-2203 [PMID:10841798]
GtoPdb - - 4.7 pKi - - - Mol Pharmacol (1999) 56: 705-13 [PMID:10496952];
Nat Rev Drug Discov (2006) 5: 247-64 [PMID:16518376]
ChEMBL Agonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as activation of adenylyl cyclase activity F 7.37 pKi 43 nM Ki Bioorg Med Chem (2008) 16: 336-353 [PMID:17933541]
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
ChEMBL Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells B 4.73 pKi 18600 nM Ki Bioorg Med Chem (2008) 16: 336-353 [PMID:17933541]
ChEMBL Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells B 5.49 pKi 3250 nM Ki Bioorg Med Chem (2010) 18: 2195-2203 [PMID:20188574]
ChEMBL Competitive binding affinity to human adenosine A3 receptor expressed in CHO cells after 90 mins by flow cytometric analysis in presence of MRS5449 B 5.83 pKi 1490 nM Ki Bioorg Med Chem Lett (2013) 23: 26-36 [PMID:23200243]
ChEMBL Binding affinity towards Adenosine A3 receptor (H95A mutant receptor) B 6.21 pKi 615 nM Ki J Med Chem (2002) 45: 4471-4484 [PMID:12238926]
ChEMBL Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells B 6.55 pKi 281 nM Ki Bioorg Med Chem (2008) 16: 2741-2752 [PMID:18258439]
ChEMBL Affinity towards Adenosine A3 receptor expressed in HEK 293 cells using [125I]AB-MECA radioligand B 6.55 pKi 281 nM Ki J Med Chem (2001) 44: 2966-2975 [PMID:11520205]
ChEMBL Displacement of [125I]-AB-MECA binding to human adenosine A3 receptor expressed in HEK 293 cells B 6.55 pKi 281 nM Ki J Med Chem (2005) 48: 2045-2053 [PMID:15771447]
ChEMBL Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in HEK293 cell membrane B 6.55 pKi 280 nM Ki J Med Chem (2008) 51: 4449-4455 [PMID:18637670]
ChEMBL Binding affinity to human adenosine A3 receptor in CHO cells B 6.62 pKi 240 nM Ki J Med Chem (2005) 48: 8103-8107 [PMID:16366590]
ChEMBL Binding affinity towards human Adenosine A3 receptor wild type B 6.85 pKi 142 nM Ki J Med Chem (2002) 45: 4471-4484 [PMID:12238926]
ChEMBL Binding affinity towards Adenosine A3 receptor (W243 A mutant receptor) B 6.86 pKi 137 nM Ki J Med Chem (2002) 45: 4471-4484 [PMID:12238926]
ChEMBL Binding affinity at human Adenosine A3 receptor expressed in HEK 293 cells by [125I]AB-MECA displacement. B 6.92 pKi 120 nM Ki J Med Chem (1999) 42: 1393-1400 [PMID:10212125]
ChEMBL Binding affinity for Adenosine A3 receptor expressed in HEK 293 cells by displacing i[125I]-ABMECA B 6.92 pKi 120 nM Ki Bioorg Med Chem Lett (2000) 10: 2141-2144 [PMID:10999489]
ChEMBL Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells after 90 mins by gamma counting analysis B 7.14 pKi 72 nM Ki Bioorg Med Chem Lett (2013) 23: 26-36 [PMID:23200243]
ChEMBL Affinity for human Adenosine A3 receptor expressed in CHO cell B 7.14 pKi 72 nM Ki J Med Chem (2002) 45: 4471-4484 [PMID:12238926]
ChEMBL Binding affinity to Adenosine receptor A3 (unknown origin) B 7.14 pKi 72 nM Ki J Med Chem (2016) 59: 810-840 [PMID:26390077]
ChEMBL Displacement of [125I]I-AB-MECA from recombinant human adenosine A3 receptor expressed in CHO cell membranes B 7.14 pKi 72 nM Ki Medchemcomm (2018) 9: 1920-1932 [PMID:30568760]
ChEMBL Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5-N-methyluronamide from human A3A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay B 7.14 pKi 72 nM Ki J Med Chem (2019) 62: 1502-1522 [PMID:30605331]
GtoPdb - - 7.4 pKi - - - Proc Natl Acad Sci USA (1993) 90: 10365-9 [PMID:8234299];
Biochem Pharmacol (2004) 68: 1985-93 [PMID:15476669];
Naunyn Schmiedebergs Arch Pharmacol (1998) 357: 1-9 [PMID:9459566];
Nat Rev Drug Discov (2006) 5: 247-64 [PMID:16518376]
ChEMBL Stimulation of [35S]GTP-gamma-S, against human adenosine A3 receptor F 5.1 pEC50 7980 nM EC50 J Med Chem (2000) 43: 2196-2203 [PMID:10841798]
ChEMBL Effect on forskolin-stimulated cyclic AMP production in intact chinese hamster ovary (CHO) cell expressing the human Adenosine A3 receptor F 6.62 pEC50 242 nM EC50 J Med Chem (2002) 45: 4471-4484 [PMID:12238926]
A3 receptor/Adenosine A3 receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075269] [GtoPdb: 21] [UniProtKB: Q61618]
ChEMBL Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5-N-methyluronamide from mouse A3A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay B 6.27 pKi 534 nM Ki J Med Chem (2019) 62: 1502-1522 [PMID:30605331]
A3 receptor/Adenosine A3 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3360] [GtoPdb: 21] [UniProtKB: P28647]
ChEMBL Displacement of [125I]- AB-MECA from rat adenosine A3 receptor expressed in CHO cells B 6.56 pKi 274 nM Ki J Med Chem (2000) 43: 2196-2203 [PMID:10841798]
ChEMBL Affinity to Adenosine A3 receptor of rat testis membrane using [3H](R)-PIA with 150 nM DPCPX B 6.59 pKi 260 nM Ki J Med Chem (2002) 45: 1196-1202 [PMID:11881988]
ChEMBL Tested for the binding affinity of A3 receptor by displacing N6-[[125I]-4-amino-3-iodobenzyl]-adenosine-5''-N-methyluronamide from membranes of CHO cells transfected with rat A3-cDNA B 6.62 pKi 240 nM Ki J Med Chem (1994) 37: 3614-3621 [PMID:7932588]
ChEMBL Binding affinity to rat adenosine A3 receptor in CHO cells B 7.01 pKi 97 nM Ki J Med Chem (2005) 48: 8103-8107 [PMID:16366590]
ChEMBL Inhibitory activity against Adenosine A3 receptor by inhibiting specific [3H](R)-PIA binding to rat testis membranes B 7.59 pKi 26 nM Ki J Med Chem (1998) 41: 1708-1715 [PMID:9572897]
ChEMBL Ability to displace the specific binding of [3H](R)-PIA to adenosine A3 receptor from rat testis membranes B 7.59 pKi 26 nM Ki J Med Chem (2000) 43: 2814-2823 [PMID:10956189]
D5 receptor/Dopamine D5 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1850] [GtoPdb: 218] [UniProtKB: P21918]
ChEMBL PDSP Secondary Binding target: DRD5 - Compounds are tested at 10 uM concentration, plate are incubated at room temperature in the dark for 90 minutes. Reaction are stopped by vacuum filtration onto 0.3% polyethyleneimine soaked filter mats using Filtermate harvester. Scintillation cocktail is then melted onto microwave-dried filters on a hot plate and the radio activity is counted in Microbia counter. Compounds showing a minimum of 50% inhibition at 10 uM concentration are carried forward in this secondary binding assay to determine equilibrium binding affinity. B 5 pKi >10000 nM Ki EUbOPEN Chemogenomics Library - PDSP Secondary Binding
Equilibrative nucleoside transporter 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1997] [GtoPdb: 1117] [UniProtKB: Q99808]
ChEMBL Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranes B 5.96 pKi 1100 nM Ki J Med Chem (2005) 48: 321-329 [PMID:15634027]
Erythromycin resistance protein in Bacillus subtilis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4251] [UniProtKB: P13956]
ChEMBL Inhibition of Bacillus subtilis ErmC' methyltransferase B 4.1 pIC50 80000 nM IC50 RSC Med Chem (2023) 14: 624-643 [PMID:37122541]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay F 5 pIC50 10000 nM IC50 Nat Chem Biol (2009) 5: 765-771 [PMID:19734910]
sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL287] [GtoPdb: 2552] [UniProtKB: Q99720]
ChEMBL PDSP Secondary Binding target: SIGMAR1 - Compounds are tested at 10 uM concentration, plate are incubated at room temperature in the dark for 90 minutes. Reaction are stopped by vacuum filtration onto 0.3% polyethyleneimine soaked filter mats using Filtermate harvester. Scintillation cocktail is then melted onto microwave-dried filters on a hot plate and the radio activity is counted in Microbia counter. Compounds showing a minimum of 50% inhibition at 10 uM concentration are carried forward in this secondary binding assay to determine equilibrium binding affinity. B 5.58 pKi 2611.26 nM Ki EUbOPEN Chemogenomics Library - PDSP Secondary Binding

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]