[3H]MRS1754 [Ligand Id: 453] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL273807 (MRS-1754)
  • A1 receptor/Adenosine A1 receptor in Human [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542]
  • 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]
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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]
  • A2B receptor/Adenosine A2b receptor in Mouse [ChEMBL: CHEMBL2237] [GtoPdb: 20] [UniProtKB: Q60614]
  • A2B receptor/Adenosine A2b receptor in Rat [ChEMBL: CHEMBL2592] [GtoPdb: 20] [UniProtKB: P29276]
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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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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 to recombinant human adenosine A1 receptor B 6.39 pKi 407.38 nM Ki J. Med. Chem. (2006) 49: 282-299 [PMID:16392813]
ChEMBL Binding affinity towards human Adenosine A1 receptor B 6.39 pKi 403 nM Ki J. Med. Chem. (2002) 45: 1500-1510 [PMID:11906291]
ChEMBL Antagonist activity against recombinant human adenosine A1 receptor expressed in HEK293 cells in presence of [125I]IABA radioligand. F 6.39 pKi 403 nM Ki J. Med. Chem. (2000) 43: 1165-1172 [PMID:10737749]
ChEMBL Binding affinity to human adenosine A1 receptor B 6.39 pKi 403 nM Ki J. Med. Chem. (2012) 55: 797-811 [PMID:22148859]
ChEMBL Displacement of [125I]IABA from recombinant human A1 adenosine receptor expressed in HEK293 cell membranes measured after 3 hrs B 6.39 pKi 403 nM Ki J Med Chem (2019) 62: 4032-4055 [PMID:30835463]
ChEMBL Binding affinity to human adenosine A1 receptor B 6.39 pKi 403 nM Ki J. Med. Chem. (2009) 52: 3994-4006 [PMID:19569717]
ChEMBL Antagonist activity against human adenosine A1 receptor F 6.39 pKi 403 nM Ki Eur. J. Med. Chem. (2010) 45: 3459-3471 [PMID:20537438]
ChEMBL Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells B 6.4 pKi 400 nM Ki J. Med. Chem. (2006) 49: 3682-3692 [PMID:16759111]
ChEMBL Binding affinity against Adenosine A1 receptor labeled by [3H]CPX in membranes prepared from Chinese hamster ovary cells B 6.68 pKi 210 nM Ki Bioorg. Med. Chem. Lett. (2005) 15: 609-612 [PMID:15664822]
A1 receptor/Adenosine A1 receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3688] [GtoPdb: 18] [UniProtKB: Q60612]
ChEMBL Displacement of [3H]CCPA from recombinant mouse A1 adenosine receptor expressed in CHO cell membranes measured after 60 mins by liquid scintillation counting method B 8.84 pKi 1.45 nM Ki J Med Chem (2019) 62: 4032-4055 [PMID:30835463]
A1 receptor/Adenosine A1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
ChEMBL Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]R-PIA radioligand. F 7.77 pKi 16.8 nM Ki J. Med. Chem. (2000) 43: 1165-1172 [PMID:10737749]
ChEMBL Binding affinity towards rat Adenosine A1 receptor B 7.77 pKi 16.8 nM Ki J. Med. Chem. (2002) 45: 1500-1510 [PMID:11906291]
ChEMBL Binding affinity of specific [3H]R-PIA binding to rat Adenosine A1 receptor in HEK293 cells B 7.77 pKi 16.8 nM Ki J. Med. Chem. (2002) 45: 2131-2138 [PMID:12014951]
ChEMBL Binding affinity to rat adenosine A1 receptor B 7.77 pKi 16.8 nM Ki J. Med. Chem. (2009) 52: 3994-4006 [PMID:19569717]
ChEMBL Displacement of [3H]R-PIA from A1 adenosine receptor in rat brain membranes measured after 3 hrs in presence of adenosine deaminase B 7.77 pKi 16.8 nM Ki J Med Chem (2019) 62: 4032-4055 [PMID:30835463]
A2A receptor/Adenosine A2a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
ChEMBL The A2A-StaR2 receptor has been purified from membranes in n-decyl-beta-D-maltoside as detergent. Ligands were prepared over a five-fold concentration series and injected in either a multi- or a single-cycle format depending on the kinetic parameters of the ligand. The actual concentrations as well as contact and dissociation times varied between the ligands depended on the kinetics and affinity of the interaction. The data were fitted to a 1:1 interaction model using the kinetics evaluation software from Biacore. A minimum of three measurements were recorded for each interaction. B 7.25 pKd 55.63 nM Kd K4DD drug target binding kinetics data
ChEMBL Binding affinity to recombinant human adenosine A2A receptor B 6.29 pKi 512.86 nM Ki J. Med. Chem. (2006) 49: 282-299 [PMID:16392813]
ChEMBL Binding affinity towards human Adenosine A2A receptor B 6.3 pKi 503 nM Ki J. Med. Chem. (2002) 45: 1500-1510 [PMID:11906291]
ChEMBL Antagonist activity against recombinant human adenosine A2A receptor expressed in HEK293 cells in presence of [125I]iodo-ZM-241385 radioligand. F 6.3 pKi 503 nM Ki J. Med. Chem. (2000) 43: 1165-1172 [PMID:10737749]
ChEMBL Binding affinity to human adenosine A2A receptor B 6.3 pKi 503 nM Ki J. Med. Chem. (2012) 55: 797-811 [PMID:22148859]
ChEMBL Displacement of [125I]ZM241385 from recombinant human A2A adenosine receptor expressed in HEK293 cell membranes measured after 3 hrs B 6.3 pKi 503 nM Ki J Med Chem (2019) 62: 4032-4055 [PMID:30835463]
ChEMBL Binding affinity to human adenosine A2A receptor B 6.3 pKi 503 nM Ki J. Med. Chem. (2009) 52: 3994-4006 [PMID:19569717]
ChEMBL Antagonist activity against human adenosine A2A receptor F 6.3 pKi 503 nM Ki Eur. J. Med. Chem. (2010) 45: 3459-3471 [PMID:20537438]
ChEMBL Displacement of [3H]ZM-241385 from human adenosine A2a receptor expressed in HEK cells B 6.3 pKi 500 nM Ki J. Med. Chem. (2006) 49: 3682-3692 [PMID:16759111]
ChEMBL Binding affinity against Adenosine A2a receptor labeled by [3H]ZM-241385 in membranes prepared from HEK-A2A cells B 6.59 pKi >260 nM Ki Bioorg. Med. Chem. Lett. (2005) 15: 609-612 [PMID:15664822]
ChEMBL Inhibition of A2aR (unknown origin) expressed in HEK293 cells incubated overnight by dual luciferase reporter assay B 6 pIC50 1000 nM IC50 US-20200345725-A1. Methods and Compositions for Treating Cancer (null)
A2A receptor/Adenosine A2a receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2115] [GtoPdb: 19] [UniProtKB: Q60613]
ChEMBL Displacement of [3H]MSX-2 from recombinant mouse A2A adenosine receptor expressed in CHO cell membranes measured after 60 mins by liquid scintillation counting method B 5 pKi >10000 nM Ki J Med Chem (2019) 62: 4032-4055 [PMID:30835463]
A2A receptor/Adenosine A2a receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
ChEMBL Antagonist activity against adenosine A2A receptor in rat striatal membrane in presence of [3H]CGS-21680 radioligand. F 6.21 pKi 612 nM Ki J. Med. Chem. (2000) 43: 1165-1172 [PMID:10737749]
ChEMBL Binding affinity towards rat Adenosine A2A receptor B 6.21 pKi 612 nM Ki J. Med. Chem. (2002) 45: 1500-1510 [PMID:11906291]
ChEMBL Binding affinity at rat Adenosine A2A receptor by [3H]-CGS- 21680 displacement. B 6.21 pKi 612 nM Ki J. Med. Chem. (2002) 45: 2131-2138 [PMID:12014951]
ChEMBL Binding affinity to rat adenosine A2A receptor B 6.21 pKi 612 nM Ki J. Med. Chem. (2009) 52: 3994-4006 [PMID:19569717]
ChEMBL Displacement of [3H]CGS21680 from A2A adenosine receptor in rat striatal membranes measured after 3 hrs in presence of adenosine deaminase B 6.21 pKi 612 nM Ki J Med Chem (2019) 62: 4032-4055 [PMID:30835463]
A2B receptor/Adenosine A2b receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275]
GtoPdb - - 9.8 pKd 0.16 nM Kd Biochem Pharmacol (2001) 61: 657-63 [PMID:11266650]
ChEMBL Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting B 7.98 pKi 10.39 nM Ki Eur. J. Med. Chem. (2012) 54: 914-918 [PMID:22703703]
ChEMBL Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells B 8.7 pKi 2 nM Ki J. Med. Chem. (2006) 49: 3682-3692 [PMID:16759111]
ChEMBL Binding affinity to human adenosine A2B receptor B 8.7 pKi 2 nM Ki J. Med. Chem. (2012) 55: 797-811 [PMID:22148859]
ChEMBL Inhibition of human A2B adenosine receptor B 8.7 pKi 2 nM Ki Eur J Med Chem (2019) 163: 763-778 [PMID:30576906]
ChEMBL Binding affinity against Adenosine A2b receptor labeled by [3H]ZM-241385 in membranes prepared from HEK-A2B cells B 8.7 pKi 2 nM Ki Bioorg. Med. Chem. Lett. (2005) 15: 609-612 [PMID:15664822]
ChEMBL Displacement of [125I]ABOPX from human adenosine receptor A2b expressed in HEK293 cell membranes after 3 hrs by fluorescence assay B 8.7 pKi 2 nM Ki Eur J Med Chem (2017) 127: 986-996 [PMID:27842891]
ChEMBL Binding affinity to recombinant human adenosine A2B receptor B 8.7 pKi 2 nM Ki J. Med. Chem. (2006) 49: 282-299 [PMID:16392813]
ChEMBL Antagonist activity at human A2B receptor B 8.71 pKi 1.97 nM Ki J Med Chem (2021) 64: 458-480 [PMID:33372800]
ChEMBL Binding affinity towards human Adenosine A2B receptor B 8.71 pKi 1.97 nM Ki J. Med. Chem. (2002) 45: 1500-1510 [PMID:11906291]
ChEMBL Binding affinity to human adenosine A2B receptor B 8.71 pKi 1.97 nM Ki J. Med. Chem. (2009) 52: 3994-4006 [PMID:19569717]
ChEMBL Antagonist activity against human adenosine A2B receptor F 8.71 pKi 1.97 nM Ki Eur. J. Med. Chem. (2010) 45: 3459-3471 [PMID:20537438]
ChEMBL Displacement of [125I]IABOPX from human recombinant Adenosine A2B receptor expressed in HEK293 cells after 3 hrs B 8.71 pKi 1.97 nM Ki J. Med. Chem. (2016) 59: 1967-1983 [PMID:26824742]
ChEMBL Displacement of [3H]ZM241385/[125I]IABOPX from recombinant human A2B adenosine receptor expressed in HEK293 cell membranes measured after 3 hrs B 8.71 pKi 1.97 nM Ki J Med Chem (2019) 62: 4032-4055 [PMID:30835463]
ChEMBL Antagonist activity against human A2B adenosine receptor expressed in HEK293 cells uisng [3H]ZM-241385 or [125I]-IABOPX F 8.71 pKi 1.97 nM Ki J. Med. Chem. (2000) 43: 1165-1172 [PMID:10737749]
ChEMBL Displacement of [3H]ZM241385/[125I]IABOPX from human recombinant adenosine A2B receptor expressed in HEK293 cells after 3 hrs B 8.72 pKi 1.9 nM Ki J Med Chem (2017) 60: 3372-3382 [PMID:28368607]
ChEMBL Inhibition of A2bR (unknown origin) expressed in HEK293 cells incubated overnight by dual luciferase reporter assay B 7.49 pIC50 32 nM IC50 US-20200345725-A1. Methods and Compositions for Treating Cancer (null)
ChEMBL Antagonist activity at Adenosine receptor subtype 2B in human RBC assessed as change in erythrocyte morphology incubated for 3 hrs with occasional gentle stirring for every 30 min measured for every 12 hrs by microscopic analysis F 7.63 pEC50 23.44 nM EC50 Eur J Med Chem (2017) 136: 487-496 [PMID:28528302]
A2B receptor/Adenosine A2b receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2237] [GtoPdb: 20] [UniProtKB: Q60614]
ChEMBL Binding affinity to mouse adenosine A2B receptor B 8.47 pKi 3.39 nM Ki J. Med. Chem. (2009) 52: 3994-4006 [PMID:19569717]
ChEMBL Displacement of [3H]PSB-603 from recombinant mouse A2B adenosine receptor expressed in CHO cell membranes measured after 75 mins by liquid scintillation counting method B 8.51 pKi 3.12 nM Ki J Med Chem (2019) 62: 4032-4055 [PMID:30835463]
A2B receptor/Adenosine A2b receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2592] [GtoPdb: 20] [UniProtKB: P29276]
ChEMBL Inhibition of [125I]-APOBX binding to rat Adenosine A2B receptor expressed in HEK cells B 7.89 pKi 12.8 nM Ki J. Med. Chem. (2002) 45: 2131-2138 [PMID:12014951]
ChEMBL Binding affinity to rat adenosine A2B receptor B 7.89 pKi 12.8 nM Ki J. Med. Chem. (2009) 52: 3994-4006 [PMID:19569717]
ChEMBL Binding affinity to rat A2B adenosine receptor by radio-ligand displacement assay B 7.89 pKi 12.8 nM Ki J Med Chem (2019) 62: 4032-4055 [PMID:30835463]
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 6.24 pKi 575.44 nM Ki J. Med. Chem. (2006) 49: 282-299 [PMID:16392813]
ChEMBL Binding affinity for human Adenosine A3 receptor B 6.24 pKi 570 nM Ki J. Med. Chem. (2002) 45: 1500-1510 [PMID:11906291]
ChEMBL Displacement of [125I]IABA from recombinant human A3 adenosine receptor expressed in HEK293 cell membranes measured after 3 hrs B 6.24 pKi 570 nM Ki J Med Chem (2019) 62: 4032-4055 [PMID:30835463]
ChEMBL Antagonist activity against human adenosine A3 receptor expressed in HEK cells in presence of [125]IAB-MECA or [125I]IABA radioligand. F 6.24 pKi 570 nM Ki J. Med. Chem. (2000) 43: 1165-1172 [PMID:10737749]
ChEMBL Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells B 6.24 pKi 570 nM Ki J. Med. Chem. (2006) 49: 3682-3692 [PMID:16759111]
ChEMBL Binding affinity to human adenosine A3 receptor B 6.24 pKi 570 nM Ki J. Med. Chem. (2009) 52: 3994-4006 [PMID:19569717]
ChEMBL Antagonist activity against human adenosine A3 receptor F 6.24 pKi 570 nM Ki Eur. J. Med. Chem. (2010) 45: 3459-3471 [PMID:20537438]
ChEMBL Binding affinity to human adenosine A3 receptor B 6.24 pKi 570 nM Ki J. Med. Chem. (2012) 55: 797-811 [PMID:22148859]
ChEMBL Binding affinity against Adenosine A3 receptor by displacement of specific binding of [125I]AB-MECA in membranes prepared from CHO-A3 cells B 6.54 pKi >290 nM Ki Bioorg. Med. Chem. Lett. (2005) 15: 609-612 [PMID:15664822]
A3 receptor/Adenosine A3 receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075269] [GtoPdb: 21] [UniProtKB: Q61618]
ChEMBL Displacement of [3H]NECA from recombinant mouse A3 adenosine receptor expressed in CHO cell membranes measured after 180 mins by liquid scintillation counting method B 5 pKi >10000 nM Ki J Med Chem (2019) 62: 4032-4055 [PMID:30835463]
A3 receptor/Adenosine A3 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3360] [GtoPdb: 21] [UniProtKB: P28647]
ChEMBL Binding affinity to rat A3 adenosine receptor B 5 pKi >10000 nM Ki J Med Chem (2019) 62: 4032-4055 [PMID:30835463]

ChEMBL data shown on this page come from version 31:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, Cibrián-Uhalte E, Davies M, Dedman N, Karlsson A, Magariños 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]