[3H]XAC [Ligand Id: 432] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL273094
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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 The A1-StaR 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. B 7.83 pKd 14.68 nM Kd K4DD drug target binding kinetics data
ChEMBL Displacement of MRS7416 from recombinant human adenosine receptor A1 expressed in HEK293 cell membranes after 1 hr by FACS analysis B 7.76 pKi 17.2 nM Ki MedChemComm (2017) 8: 1659-1667
ChEMBL Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293T cells B 8.05 pKi 9 nM Ki Bioorg. Med. Chem. (2007) 15: 3235-3240 [PMID:17350268]
ChEMBL Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293T cells B 8.05 pKi 9 nM Ki Bioorg. Med. Chem. (2008) 16: 3825-3830 [PMID:18262425]
ChEMBL Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293T cells by scintillation counting B 8.05 pKi 9 nM Ki Bioorg. Med. Chem. (2009) 17: 4280-4284 [PMID:19481943]
ChEMBL Antagonist activity at human adenosine A1 receptor assessed as cAMP level by cell based assay B 8.08 pKi 8.3 nM Ki Bioorg. Med. Chem. Lett. (2013) 23: 3427-3433 [PMID:23602401]
ChEMBL Antagonist activity against recombinant human adenosine A1 receptor expressed in HEK293 cells in presence of [125I]IABA radioligand. F 8.17 pKi 6.82 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 at bovine Adenosine A1 receptor. B 8.89 pKi 1.3 nM Ki J. Med. Chem. (2002) 45: 4875-4887 [PMID:12383013]
ChEMBL Ability to displace the specific binding of [3H]CHA to adenosine A1 receptor from bovine brain cortical membranes B 8.89 pKi 1.3 nM Ki J. Med. Chem. (2000) 43: 2814-2823 [PMID:10956189]
ChEMBL Affinity for Adenosine A1 receptor using [N6-[(3-[125I]-iodo-4-aminophenyl)ethyl]adenosine in calf brain B 9.52 pKi 0.3 nM Ki J. Med. Chem. (1989) 32: 1043-1051 [PMID:2709373]
A1 receptor/Adenosine A1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
ChEMBL Binding affinity towards rat Adenosine A1 receptor B 8.89 pKi 1.3 nM Ki J. Med. Chem. (2002) 45: 1500-1510 [PMID:11906291]
ChEMBL Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical membrane B 8.92 pKi 1.2 nM Ki J. Med. Chem. (2001) 44: 749-762 [PMID:11262085]
ChEMBL Binding affinity towards adenosine A1 receptor in rat cortical membranes using N6-[3H]cyclohexyladenosine as radioligand B 8.92 pKi 1.2 nM Ki J. Med. Chem. (1992) 35: 3066-3075 [PMID:1501234]
ChEMBL Inhibition of [3H]- PIA binding at adenosine A1 receptor on rat cerebral cortex membranes. B 8.92 pKi 1.2 nM Ki J. Med. Chem. (1987) 30: 211-214 [PMID:3806597]
ChEMBL Displacement of [3H]PIA from adenosine A1 receptors of rat brain membrane B 8.92 pKi 1.2 nM Ki J. Med. Chem. (1994) 37: 3373-3382 [PMID:7932565]
ChEMBL Binding affinity for adenosine A1 receptor using [3H]- CHA or [3H]- PIA B 8.92 pKi 1.2 nM Ki J. Med. Chem. (1992) 35: 407-422 [PMID:1738138]
ChEMBL Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]cyclohexyladenosine displacement. B 8.92 pKi 1.2 nM Ki J. Med. Chem. (1985) 28: 1334-1340 [PMID:2993622]
ChEMBL Antagonist activity against adenosine A1 receptor in rat brain membrane in presence of [3H]R-PIA radioligand. F 8.92 pKi 1.2 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 8.92 pKi 1.2 nM Ki J. Med. Chem. (1989) 32: 1873-1879 [PMID:2754711]
ChEMBL Inhibition of (R)-N6-([3H]-phenylisopropyl) adenosine binding to adenosine A1 receptor from rat cortical membranes B 8.92 pKi 1.2 nM Ki J. Med. Chem. (1992) 35: 2342-2345 [PMID:1613758]
ChEMBL Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain. B 8.96 pKi 1.1 nM Ki J. Med. Chem. (1989) 32: 1043-1051 [PMID:2709373]
Adenosine A1 receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2304404] [UniProtKB: P47745]
ChEMBL Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand B 7.96 pKi 11 nM Ki J. Med. Chem. (1992) 35: 3066-3075 [PMID:1501234]
ChEMBL Binding affinity against adenosine A1 receptor from guinea pig forebrain membranes, using N6-[3H]cyclohexyladenosine as radioligand. B 7.96 pKi 11 nM Ki J. Med. Chem. (1992) 35: 2342-2345 [PMID:1613758]
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 7.12 pKd 76.29 nM Kd K4DD drug target binding kinetics data
ChEMBL Displacement of [3H]ZM241385 from stabilized human adenosine receptor A2a expressed in HEK293 cells followed by receptor capturing on Biocore chips by SPR method B 7.7 pKd 19.95 nM Kd J. Med. Chem. (2011) 54: 4312-4323 [PMID:21661720]
ChEMBL The A2A-StaR2 receptor has been purified from membranes in n-decyl-beta-D-maltoside as detergent. Then it has been reconstituted into rHDLs membrane discs.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 7.73 pKd 18.46 nM Kd K4DD drug target binding kinetics data
GtoPdb - - 8 pKd - - - J Biol Chem (1995) 270: 13987-97 [PMID:7775460]
ChEMBL Ability to displace the specific binding of [3H]-CGS- to adenosine A2A receptor form bovine brain striatal membranes B 7.2 pKi 63 nM Ki J. Med. Chem. (2000) 43: 2814-2823 [PMID:10956189]
ChEMBL Displacement of MRS5346 from C-terminal 10xHis and 1D4-tagged C-terminal-truncated human A2A adenosine receptor (1 to 316 residues) expressed in Pichia pastoris expression system after 1 hr by fluorescence polarization assay B 7.3 pKi 50.1 nM Ki ACS Med Chem Lett (2017) 8: 660-665 [PMID:28626529]
ChEMBL Binding affinity for HA-tagged mutant human Adenosine A2A receptor (V84L), using [3H]CGS-21680 as radioligand expressed in COS-7 cells B 7.34 pKi 45.6 nM Ki J. Med. Chem. (1997) 40: 2588-2595 [PMID:9258366]
ChEMBL Displacement of [3H]ZM241385 from stabilized human adenosine receptor A2a expressed in HEK293 cells followed by receptor capturing on Biocore chips by SPR method B 7.6 pKi 25.12 nM Ki J. Med. Chem. (2011) 54: 4312-4323 [PMID:21661720]
ChEMBL Antagonist activity against recombinant human adenosine A2A receptor expressed in HEK293 cells in presence of [125I]iodo-ZM-241385 radioligand. F 7.74 pKi 18.4 nM Ki J. Med. Chem. (2000) 43: 1165-1172 [PMID:10737749]
ChEMBL Binding affinity for HA-tagged mutant human Adenosine A2A receptor (H250N) using [3H]-CGS-21,680 as radioligand expressed in COS-7 cells B 7.81 pKi 15.6 nM Ki J. Med. Chem. (1997) 40: 2588-2595 [PMID:9258366]
ChEMBL Binding affinity for HA-tagged wild type human Adenosine A2A receptor (WT) using [3H]CGS-21680 as radioligand expressed in COS-7 cells B 8.1 pKi 7.89 nM Ki J. Med. Chem. (1997) 40: 2588-2595 [PMID:9258366]
ChEMBL Antagonist activity at human adenosine A2A receptor assessed as cAMP level by cell based assay B 8.24 pKi 5.8 nM Ki Bioorg. Med. Chem. Lett. (2013) 23: 3427-3433 [PMID:23602401]
ChEMBL Competitive binding affinity to human adenosine A2A receptor expressed in HEK293 cells after 60 mins by fluorescence polarization assay in presence of MRS5346 B 8.43 pKi 3.7 nM Ki Bioorg. Med. Chem. Lett. (2013) 23: 26-36 [PMID:23200243]
ChEMBL Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting analysis B 9 pKi 1 nM Ki Bioorg. Med. Chem. Lett. (2013) 23: 26-36 [PMID:23200243]
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 7.2 pKi 63 nM Ki J. Med. Chem. (2000) 43: 1165-1172 [PMID:10737749]
ChEMBL Displacement of [3H]ZM-241385 binding in adenosine A2A receptor of rat striatal membrane B 7.2 pKi 63 nM Ki J. Med. Chem. (2001) 44: 749-762 [PMID:11262085]
ChEMBL Displacement of [3H]-CGS- 21680 from adenosine A2a receptors of rat striatal membrane B 7.2 pKi 63 nM Ki J. Med. Chem. (1994) 37: 3373-3382 [PMID:7932565]
ChEMBL Binding affinity towards rat Adenosine A2A receptor B 7.2 pKi 63 nM Ki J. Med. Chem. (2002) 45: 1500-1510 [PMID:11906291]
A2B receptor/Adenosine A2b receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275]
ChEMBL Binding affinity towards human Adenosine A2B receptor B 7.32 pKi 48 nM Ki J. Med. Chem. (2002) 45: 1500-1510 [PMID:11906291]
ChEMBL Antagonist activity against human A2B adenosine receptor expressed in HEK293 cells uisng [3H]ZM-241385 or [125I]-IABOPX F 8.11 pKi 7.75 nM Ki J. Med. Chem. (2000) 43: 1165-1172 [PMID:10737749]
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
ChEMBL Binding affinity at Mutant (H272E) human adenosine A3 receptor expressed in COS-7 cells B 4.7 pKi 20100 nM Ki J. Med. Chem. (2001) 44: 4125-4136 [PMID:11708915]
ChEMBL Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells B 6.96 pKi 110 nM Ki J. Med. Chem. (2001) 44: 749-762 [PMID:11262085]
ChEMBL Binding affinity at wild-type Adenosine A3 receptor expressed in COS-7 cells B 6.96 pKi 110 nM Ki J. Med. Chem. (2001) 44: 4125-4136 [PMID:11708915]
ChEMBL Binding affinity for human Adenosine A3 receptor B 7.15 pKi 70 nM Ki J. Med. Chem. (2002) 45: 1500-1510 [PMID:11906291]
ChEMBL Antagonist activity against human adenosine A3 receptor expressed in HEK cells in presence of [125]IAB-MECA or [125I]IABA radioligand. F 7.59 pKi 25.6 nM Ki J. Med. Chem. (2000) 43: 1165-1172 [PMID:10737749]
ChEMBL Competitive binding affinity to human adenosine A3 receptor expressed in CHO cells after 90 mins by flow cytometric analysis in presence of MRS5449 B 7.7 pKi 19.9 nM Ki Bioorg. Med. Chem. Lett. (2013) 23: 26-36 [PMID:23200243]
ChEMBL Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells after 90 mins by gamma counting analysis B 7.86 pKi 13.8 nM Ki Bioorg. Med. Chem. Lett. (2013) 23: 26-36 [PMID:23200243]
A3 receptor/Adenosine A3 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3360] [GtoPdb: 21] [UniProtKB: P28647]
ChEMBL Displacement of [125I]AB-MECA from membranes of CHO cells stably transfected with the rat adenosine A3 receptor cDNA B 4.54 pKi 29000 nM Ki J. Med. Chem. (1994) 37: 3373-3382 [PMID:7932565]
ChEMBL Ability to displace the specific binding of [3H](R)-PIA to adenosine A3 receptor from rat testis membranes B 6.38 pKi 418 nM Ki J. Med. Chem. (2000) 43: 2814-2823 [PMID:10956189]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay F 4.9 pIC50 12589.25 nM IC50 Nat. Chem. Biol. (2009) 5: 765-771 [PMID:19734910]
ChEMBL Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay F 4.9 pIC50 12589.25 nM IC50 Nat. Chem. Biol. (2009) 5: 765-771 [PMID:19734910]
ChEMBL Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR green assay F 5 pIC50 10000 nM IC50 Nat. Chem. Biol. (2009) 5: 765-771 [PMID:19734910]

ChEMBL data shown on this page come from version 28:

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]