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 32:

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]