XCC [Ligand Id: 451] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL27041
  • 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 Human [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
  • 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 Rat [ChEMBL: CHEMBL3360] [GtoPdb: 21] [UniProtKB: P28647]
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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 Antagonist activity against recombinant human adenosine A1 receptor expressed in HEK293 cells in presence of [125I]IABA radioligand. F 6.76 pKi 175 nM Ki J Med Chem (2000) 43: 1165-1172 [PMID:10737749]
Adenosine A1 receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4975] [UniProtKB: P28190]
ChEMBL Binding affinity for adenosine A1 receptor as inhibition of [125-I]-labeled aminobenzyl adenosine binding to bovine brain membranes B 7.77 pKd 17 nM Kd J Med Chem (1988) 31: 745-751 [PMID:3351850]
A1 receptor/Adenosine A1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
ChEMBL Binding affinity to rat adenosine A1 receptor B 7.2 pKi 63.1 nM Ki J Med Chem (2006) 49: 282-299 [PMID:16392813]
ChEMBL Displacement of [3H]PIA from adenosine A1 receptors of rat brain membrane B 7.24 pKi 58 nM Ki J Med Chem (1994) 37: 3373-3382 [PMID:7932565]
ChEMBL Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]R-PIA radioligand. F 7.24 pKi 58 nM Ki J Med Chem (2000) 43: 1165-1172 [PMID:10737749]
ChEMBL Inhibition of binding of 1 nM [3H]N-6-(phenylisopropyl)adenosine to adenosine A1 receptor in rat cortical membranes B 7.24 pKi 58 nM Ki J Med Chem (1989) 32: 1873-1879 [PMID:2754711]
ChEMBL Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]cyclohexyladenosine displacement. B 7.24 pKi 58 nM Ki J Med Chem (1985) 28: 1334-1340 [PMID:2993622]
ChEMBL Binding affinity against adenosine A1 receptor using [3H]-CHA or [3H]PIA as radioligand B 7.24 pKi 58 nM Ki J Med Chem (1992) 35: 407-422 [PMID:1738138]
ChEMBL Inhibition of [3H]- PIA binding at adenosine A1 receptor on rat cerebral cortex membranes. B 7.3 pKi 50 nM Ki J Med Chem (1987) 30: 211-214 [PMID:3806597]
A2A receptor/Adenosine A2a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
ChEMBL Binding affinity to recombinant human adenosine A2A receptor B 6.07 pKi 851.14 nM Ki J Med Chem (2006) 49: 282-299 [PMID:16392813]
ChEMBL Antagonist activity against recombinant human adenosine A2A receptor expressed in HEK293 cells in presence of [125I]iodo-ZM-241385 radioligand. F 6.23 pKi 595 nM Ki J Med Chem (2000) 43: 1165-1172 [PMID:10737749]
A2A receptor/Adenosine A2a receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
ChEMBL Binding affinity to rat adenosine A2A receptor B 5.65 pKi 2238.72 nM Ki J Med Chem (2006) 49: 282-299 [PMID:16392813]
ChEMBL Antagonist activity against adenosine A2A receptor in rat striatal membrane in presence of [3H]CGS-21680 radioligand. F 5.66 pKi 2200 nM Ki J Med Chem (2000) 43: 1165-1172 [PMID:10737749]
ChEMBL Displacement of [3H]-CGS- 21680 from adenosine A2a receptors of rat striatal membrane B 5.66 pKi 2200 nM Ki J Med Chem (1994) 37: 3373-3382 [PMID:7932565]
A2B receptor/Adenosine A2b receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275]
GtoPdb - - 7.3 pKi - - - Biochem Pharmacol (2001) 61: 657-63 [PMID:11266650]
ChEMBL Antagonist activity against human A2B adenosine receptor expressed in HEK293 cells uisng [3H]ZM-241385 or [125I]-IABOPX F 7.4 pKi 40 nM Ki J Med Chem (2000) 43: 1165-1172 [PMID:10737749]
ChEMBL Binding affinity at human Adenosine A2B receptor expressed in HEK293 cells, using [125I]ABOPX as radioligand B 7.4 pKi 40 nM Ki J Med Chem (2002) 45: 2131-2138 [PMID:12014951]
ChEMBL Binding affinity to recombinant human adenosine A2B receptor B 7.4 pKi 39.81 nM Ki J Med Chem (2006) 49: 282-299 [PMID:16392813]
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
ChEMBL Binding affinity to recombinant human adenosine A3 receptor B 5.4 pKi 3981.07 nM Ki J Med Chem (2006) 49: 282-299 [PMID:16392813]
ChEMBL Antagonist activity against human adenosine A3 receptor expressed in HEK cells in presence of [125]IAB-MECA or [125I]IABA radioligand. F 5.41 pKi 3910 nM Ki J Med Chem (2000) 43: 1165-1172 [PMID:10737749]
A3 receptor/Adenosine A3 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3360] [GtoPdb: 21] [UniProtKB: P28647]
ChEMBL Antagonist activity against rat adenosine A3 receptor using [125I]I-AB-MECA or [125 I]IABA F 4.12 pKi 75700 nM Ki J Med Chem (2000) 43: 1165-1172 [PMID:10737749]
ChEMBL Displacement of [125I]AB-MECA from membranes of CHO cells stably transfected with the rat adenosine A3 receptor cDNA B 4.12 pKi 75700 nM Ki J Med Chem (1994) 37: 3373-3382 [PMID:7932565]

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]