MRE 3008F20 [Ligand Id: 459] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL302765
  • A1 receptor/Adenosine A1 receptor in Human [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542]
  • A1 receptor/Adenosine A1 receptor in Rat [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
1 CHEMBL302765_lig_chart_1 Adenosine A1 receptor HumanRat
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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]
2 CHEMBL302765_lig_chart_2 Adenosine A2a receptor HumanRat
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  • A2B receptor/Adenosine A2b receptor in Human [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275]
3 CHEMBL302765_lig_chart_3 Adenosine A2b receptor Human
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  • A3 receptor/Adenosine A3 receptor in Human [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
4 CHEMBL302765_lig_chart_4 Adenosine A3 receptor 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 Inhibition of [3H]DPCPX binding to human Adenosine A1 receptor expressed in CHO cells; Range 1030-1400 B 5.92 pKi 1200 nM Ki J. Med. Chem. (2002) 45: 3703-3708 [PMID:12166943]
ChEMBL Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells B 5.92 pKi 1197 nM Ki J. Med. Chem. (1999) 42: 4473-4478 [PMID:10579811]
ChEMBL Tested for inhibitory activity against human adenosine A1 receptor by displacement of [3H]DPCPX expressed in CHO cells; value ranges from 1027-1396 B 5.92 pKi 1197 nM Ki J. Med. Chem. (2000) 43: 4768-4780 [PMID:11123985]
ChEMBL Displacement of [3H]DPCPX from human Adenosine A1 receptor in CHO cells B 5.92 pKi 1197 nM Ki J. Med. Chem. (2001) 44: 2735-2742 [PMID:11495585]
ChEMBL Binding affinity against human Adenosine A1 receptor in CHO cells B 5.92 pKi 1197 nM Ki Bioorg. Med. Chem. Lett. (2000) 10: 209-211 [PMID:10698437]
ChEMBL Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells; range 1027-1396 B 5.92 pKi 1197 nM Ki J. Med. Chem. (2002) 45: 770-780 [PMID:11831890]
ChEMBL Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells B 5.96 pKi 1100 nM Ki Bioorg. Med. Chem. (2012) 20: 1046-1059 [PMID:22204739]
ChEMBL Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by scintillation counter B 5.96 pKi 1100 nM Ki J. Med. Chem. (2012) 55: 5380-5390 [PMID:22568637]
GtoPdb - - 6 pKi - - - Biochem. Pharmacol. (2005) 70: 1601-12 [PMID:16219300];
Mol. Pharmacol. (2000) 57: 968-75 [PMID:10779381];
Nat Rev Drug Discov (2006) 5: 247-64 [PMID:16518376]
A1 receptor/Adenosine A1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
ChEMBL Displacement of [3H]DPCPX from Adenosine A1 receptor of rat brain membranes B 5 pKi >10000 nM Ki J. Med. Chem. (1999) 42: 4473-4478 [PMID:10579811]
A2A receptor/Adenosine A2a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
ChEMBL Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells B 2.15 pKi -2.15 nM pKi Bioorg. Med. Chem. (2009) 17: 5259-5274 [PMID:19501513]
GtoPdb - - 6.8 pKi - - - Biochem. Pharmacol. (2005) 70: 1601-12 [PMID:16219300];
Mol. Pharmacol. (2000) 57: 968-75 [PMID:10779381];
Nat Rev Drug Discov (2006) 5: 247-64 [PMID:16518376]
ChEMBL Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by scintillation counter B 6.85 pKi 141 nM Ki J. Med. Chem. (2012) 55: 5380-5390 [PMID:22568637]
ChEMBL Displacement of specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK293 cells B 6.85 pKi 141 nM Ki J. Med. Chem. (1999) 42: 4473-4478 [PMID:10579811]
ChEMBL Binding affinity against human Adenosine A2A receptor in CHO cells B 6.85 pKi 141 nM Ki Bioorg. Med. Chem. Lett. (2000) 10: 209-211 [PMID:10698437]
ChEMBL Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in CHO cells B 6.85 pKi 140 nM Ki J. Med. Chem. (2001) 44: 2735-2742 [PMID:11495585]
ChEMBL Displacement of [3H]SCH-58261 from human Adenosine A2A receptor expressed in HEK293 cells; range 120-155 B 6.85 pKi 140 nM Ki J. Med. Chem. (2002) 45: 770-780 [PMID:11831890]
ChEMBL Inhibition of [3H]CGS-21680 binding to human Adenosine A2A receptor expressed in HEK293 cells; Range 120-155 B 6.85 pKi 140 nM Ki J. Med. Chem. (2002) 45: 3703-3708 [PMID:12166943]
ChEMBL Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells B 6.85 pKi 140 nM Ki Bioorg. Med. Chem. (2009) 17: 5259-5274 [PMID:19501513]
ChEMBL Displacement of [3H]-SCH 58261 from human adenosine A2A receptor expressed in CHO cells B 6.85 pKi 140 nM Ki Bioorg. Med. Chem. (2012) 20: 1046-1059 [PMID:22204739]
ChEMBL Displacement of [3H]-SCH- 58261 from human adenosine A2A receptor expressed in CHO cells; range 120-155 B 6.85 pKi 140 nM Ki J. Med. Chem. (2000) 43: 4768-4780 [PMID:11123985]
A2A receptor/Adenosine A2a receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
ChEMBL Displacement of [3H]-SCH- 58261 from Adenosine A2A receptor in rat striatal membranes B 5.7 pKi 1993 nM Ki J. Med. Chem. (1999) 42: 4473-4478 [PMID:10579811]
A2B receptor/Adenosine A2b receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275]
ChEMBL Displacement of [3H]-DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins B 5.68 pKi 2100 nM Ki Bioorg. Med. Chem. (2012) 20: 1046-1059 [PMID:22204739]
ChEMBL Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production F 5.68 pKi 2100 nM Ki J. Med. Chem. (2012) 55: 5380-5390 [PMID:22568637]
ChEMBL Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells; range 1637-2582 B 5.69 pKi 2056 nM Ki J. Med. Chem. (2002) 45: 770-780 [PMID:11831890]
ChEMBL Displacement of [3H]DPCPX from Adenosine A2b receptor expressed in CHO cells; range 1637-2582 B 5.69 pKi 2056 nM Ki J. Med. Chem. (2000) 43: 4768-4780 [PMID:11123985]
ChEMBL Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells B 5.69 pKi 2056 nM Ki J. Med. Chem. (2001) 44: 2735-2742 [PMID:11495585]
ChEMBL Inhibition of [3H]DPCPX binding to human Adenosine A2B receptor expressed in HEK cells; Range 1640-2580 B 5.69 pKi 2056 nM Ki J. Med. Chem. (2002) 45: 3703-3708 [PMID:12166943]
GtoPdb - - 5.8 pKi - - - Biochem. Pharmacol. (2005) 70: 1601-12 [PMID:16219300];
Mol. Pharmacol. (2000) 57: 968-75 [PMID:10779381];
Nat Rev Drug Discov (2006) 5: 247-64 [PMID:16518376]
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
ChEMBL Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells B 0.1 pKi 0.1 nM pKi Bioorg. Med. Chem. (2009) 17: 5259-5274 [PMID:19501513]
ChEMBL Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins B 6.22 pKi 602.56 nM Ki Bioorg. Med. Chem. Lett. (2011) 21: 818-823 [PMID:21163647]
GtoPdb - - 8 pKi - - - Mol. Pharmacol. (2000) 57: 968-75 [PMID:10779381]
ChEMBL Displacement of [3H]MRE3008-F20 from human adenosine A3 receptor expressed in CHO cells; range 0.63-0.1.00 B 9.1 pKi 0.8 nM Ki J. Med. Chem. (2000) 43: 4768-4780 [PMID:11123985]
ChEMBL Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in CHO cells B 9.1 pKi 0.8 nM Ki J. Med. Chem. (2001) 44: 2735-2742 [PMID:11495585]
ChEMBL Displacement of [3H]MRE3008-F20 from human Adenosine A3 receptor expressed in HEK cells; range 0.63-1.0 B 9.1 pKi 0.8 nM Ki J. Med. Chem. (2002) 45: 770-780 [PMID:11831890]
ChEMBL Inhibition of [125I]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells; Range 0.63-1.00 B 9.1 pKi 0.8 nM Ki J. Med. Chem. (2002) 45: 3703-3708 [PMID:12166943]
ChEMBL Binding affinity for human adenosine A3 receptor B 9.1 pKi 0.8 nM Ki J. Med. Chem. (2005) 48: 152-162 [PMID:15634009]
ChEMBL Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells B 9.1 pKi 0.8 nM Ki Bioorg. Med. Chem. (2009) 17: 5259-5274 [PMID:19501513]
ChEMBL Binding affinity to human adenosine A3 receptor B 9.1 pKi 0.8 nM Ki Med Chem Res (2013) null: 1-10
GtoPdb - - 9.5 pKi - - - Biochem. Pharmacol. (2005) 70: 1601-12 [PMID:16219300];
Mol. Pharmacol. (2000) 57: 968-75 [PMID:10779381];
Nat Rev Drug Discov (2006) 5: 247-64 [PMID:16518376]
ChEMBL Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells B 9.54 pKi 0.29 nM Ki J. Med. Chem. (2006) 49: 4085-4097 [PMID:16821770]
ChEMBL Displacement of [125]AB-MECA from human Adenosine A3 receptor expressed in HEK293 cells B 9.54 pKi 0.29 nM Ki J. Med. Chem. (1999) 42: 4473-4478 [PMID:10579811]
ChEMBL Binding affinity against human Adenosine A3 receptor in CHO cells B 9.54 pKi 0.29 nM Ki Bioorg. Med. Chem. Lett. (2000) 10: 209-211 [PMID:10698437]
ChEMBL Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells B 9.54 pKi 0.29 nM Ki Bioorg. Med. Chem. (2012) 20: 1046-1059 [PMID:22204739]
ChEMBL Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter B 9.54 pKi 0.29 nM Ki J. Med. Chem. (2012) 55: 5380-5390 [PMID:22568637]
ChEMBL Inhibition of cAMP accumulation in CHO cells expressing human adenosine A3 receptor; range 4.4-6.5 F 8.28 pIC50 5.2 nM IC50 J. Med. Chem. (2000) 43: 4768-4780 [PMID:11123985]
ChEMBL Inhibitory concentration as antagonistic activity against cAMP generation inhibited by IB-MECA in CHO cell membranes transfected with human Adenosine A3 receptor F 8.35 pIC50 4.5 nM IC50 J. Med. Chem. (1999) 42: 4473-4478 [PMID:10579811]

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]