MRE 2029F20 [Ligand Id: 390] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL260331
  • A1 receptor/Adenosine A1 receptor in Human [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542]
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  • A2A receptor/Adenosine A2a receptor in Human [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
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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]
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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 Binding affinity towards human adenosine A1 receptor expressed in CHO cells using [3H]DPCPX B 6.61 pKi 248 nM Ki Bioorg Med Chem Lett (2004) 14: 3611-3614 [PMID:15177485]
ChEMBL Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells B 6.7 pKi 200 nM Ki Bioorg Med Chem (2008) 16: 2419-2430 [PMID:18077171]
ChEMBL Displacement of specific [3H]DPCPX binding at human adenosine A1 receptor expressed in CHO cells B 6.7 pKi 200 nM Ki J Med Chem (2004) 47: 1434-1447 [PMID:14998332]
ChEMBL Antagonist activity against human adenosine A1 receptor F 6.7 pKi 200 nM Ki Eur J Med Chem (2010) 45: 3459-3471 [PMID:20537438]
ChEMBL Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO cells after 120 mins by scintillation counting B 6.7 pKi 200 nM Ki J Med Chem (2012) 55: 797-811 [PMID:22148859]
ChEMBL Binding affinity to human adenosine A1 receptor B 6.7 pKi 200 nM Ki J Med Chem (2012) 55: 797-811 [PMID:22148859]
ChEMBL Binding affinity to human adenosine A1 receptor B 6.7 pKi 200 nM Ki J Med Chem (2009) 52: 3994-4006 [PMID:19569717]
GtoPdb - - 6.7 pKi - - - Biochem Pharmacol (2005) 70: 1601-12 [PMID:16219300];
J Med Chem (2004) 47: 1434-47 [PMID:14998332]
A2A receptor/Adenosine A2a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
GtoPdb - - 6 pKi >1000 nM Ki J Med Chem (2004) 47: 1434-47 [PMID:14998332]
ChEMBL Binding affinity of compound for displacement of specific [3H]ZM-241385 binding at human adenosine A2A receptor expressed in CHO cells B 6 pKi >1000 nM Ki J Med Chem (2004) 47: 1434-1447 [PMID:14998332]
ChEMBL Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in CHO cells B 6 pKi >1000 nM Ki Bioorg Med Chem (2008) 16: 2419-2430 [PMID:18077171]
ChEMBL Binding affinity to human adenosine A2A receptor B 6 pKi >1000 nM Ki J Med Chem (2009) 52: 3994-4006 [PMID:19569717]
ChEMBL Antagonist activity against human adenosine A2A receptor F 6 pKi >1000 nM Ki Eur J Med Chem (2010) 45: 3459-3471 [PMID:20537438]
ChEMBL Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in CHO cells after 120 mins by scintillation counting B 6 pKi >1000 nM Ki J Med Chem (2012) 55: 797-811 [PMID:22148859]
ChEMBL Binding affinity to human adenosine A2A receptor B 6 pKi >1000 nM Ki J Med Chem (2012) 55: 797-811 [PMID:22148859]
A2B receptor/Adenosine A2b receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275]
ChEMBL Binding affinity of [3H]-MRE 2029-F20 towards human adenosine A2b receptor expressed in CHO cells B 8.78 pKd 1.65 nM Kd Bioorg Med Chem Lett (2004) 14: 3611-3614 [PMID:15177485]
ChEMBL Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cells B 8.26 pKi 5.5 nM Ki J Med Chem (2004) 47: 1434-1447 [PMID:14998332]
ChEMBL Binding affinity of compound for displacement of [3H]DPCPX binding in HEK293 membranes expressing human A2B adenosine receptors B 8.26 pKi 5.5 nM Ki J Med Chem (2004) 47: 1434-1447 [PMID:14998332]
ChEMBL Antagonist activity against human Adenosine A2b receptor F 8.26 pKi 5.5 nM Ki J Med Chem (2005) 48: 6813-6820 [PMID:16250640]
ChEMBL Displacement of [3H]MRE2029F20 from human adenosine A2B receptor expressed in HEK293 cells B 8.26 pKi 5.5 nM Ki Bioorg Med Chem (2008) 16: 2419-2430 [PMID:18077171]
ChEMBL Binding affinity to human adenosine A2B receptor B 8.26 pKi 5.5 nM Ki J Med Chem (2009) 52: 3994-4006 [PMID:19569717]
ChEMBL Antagonist activity against human adenosine A2B receptor F 8.26 pKi 5.5 nM Ki Eur J Med Chem (2010) 45: 3459-3471 [PMID:20537438]
ChEMBL Displacement of [3H]MRE2029-F20 from human recombinant adenosine A2B receptor expressed in HEK293 cells after 120 mins by scintillation counting B 8.26 pKi 5.5 nM Ki J Med Chem (2012) 55: 797-811 [PMID:22148859]
ChEMBL Displacement of [3H]MRE2029-F20 from human recombinant adenosine A2B receptor expressed in CHO cells B 8.26 pKi 5.5 nM Ki J Med Chem (2012) 55: 797-811 [PMID:22148859]
ChEMBL Displacement of [3H] DPCPX from human recombinant Adenosine A2B receptor expressed in HEK293 cells after 60 mins B 8.26 pKi 5.5 nM Ki J Med Chem (2016) 59: 1967-1983 [PMID:26824742]
ChEMBL Displacement of [3H]DPCPX from human adenosine receptor A2b expressed in HEK293 cell membranes B 8.26 pKi 5.5 nM Ki Eur J Med Chem (2017) 127: 986-996 [PMID:27842891]
GtoPdb - - 8.5 pKi - - - Biochem Pharmacol (2005) 70: 1601-12 [PMID:16219300];
J Med Chem (2004) 47: 1434-47 [PMID:14998332]
ChEMBL Inhibitory activity against cAMP production in CHO cells transfected with human A2B adenosine receptor F 7.42 pIC50 38 nM IC50 J Med Chem (2004) 47: 1434-1447 [PMID:14998332]
ChEMBL Antagonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced [3H]cAMP production after 150 mins by scintillation counting F 7.42 pIC50 38 nM IC50 J Med Chem (2012) 55: 797-811 [PMID:22148859]
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
GtoPdb - - 6 pKi >1000 nM Ki J Med Chem (2004) 47: 1434-47 [PMID:14998332]
ChEMBL Binding affinity of compound for displacement of specific [3H]MRE3008-F20 binding at human A3 receptors expressed in CHO cells B 6 pKi >1000 nM Ki J Med Chem (2004) 47: 1434-1447 [PMID:14998332]
ChEMBL Displacement of [3H]MRE3008F20 from human adenosine A3 receptor expressed in CHO cells B 6 pKi >1000 nM Ki Bioorg Med Chem (2008) 16: 2419-2430 [PMID:18077171]
ChEMBL Binding affinity to human adenosine A3 receptor B 6 pKi >1000 nM Ki J Med Chem (2009) 52: 3994-4006 [PMID:19569717]
ChEMBL Antagonist activity against human adenosine A3 receptor F 6 pKi >1000 nM Ki Eur J Med Chem (2010) 45: 3459-3471 [PMID:20537438]
ChEMBL Displacement of [3H]MRE3008-F20 from human recombinant adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counting B 6 pKi >1000 nM Ki J Med Chem (2012) 55: 797-811 [PMID:22148859]
ChEMBL Binding affinity to human adenosine A3 receptor B 6 pKi >1000 nM Ki J Med Chem (2012) 55: 797-811 [PMID:22148859]

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]