MRS1523 [Ligand Id: 474] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL111545 (MRS-1523)
  • A1 receptor/Adenosine A1 receptor in Human [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542]
  • 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]
  • A2B receptor in Mouse [GtoPdb: 20] [UniProtKB: Q60614]
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  • A3 receptor/Adenosine A3 receptor in Human [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
  • A3 receptor in Mouse [GtoPdb: 21] [UniProtKB: Q61618]
  • A3 receptor/Adenosine A3 receptor in Rat [ChEMBL: CHEMBL3360] [GtoPdb: 21] [UniProtKB: P28647]
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  • Transmembrane domain-containing protein TMIGD3 in Human [ChEMBL: CHEMBL3712907] [UniProtKB: P0DMS9]
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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]
GtoPdb - - 5 pKi >10000 nM Ki . A3 Adenosine Receptors from Cell Biology to Pharmacology and Therapeutics (2010)
ChEMBL Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes incubated for 90 mins by radioligand competition assay B 5 pKi >10000 nM Ki Eur J Med Chem (2020) 186: 111879-111879 [PMID:31780082]
A1 receptor/Adenosine A1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
ChEMBL Displacement of specific [3H]-CGS- 21680R-PIA binding to Adenosine A1 receptor in rat brain membranes. B 4.81 pKi 15600 nM Ki J. Med. Chem. (1999) 42: 706-721 [PMID:10052977]
ChEMBL Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortex membranes incubated for 90 mins by radioligand competition assay B 4.81 pKi 15600 nM Ki Eur J Med Chem (2020) 186: 111879-111879 [PMID:31780082]
GtoPdb - - 4.81 pKi 15600 nM Ki . A3 Adenosine Receptors from Cell Biology to Pharmacology and Therapeutics (2010)
A2A receptor/Adenosine A2a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
ChEMBL Displacement of [3H]MSX2 from human adenosine receptor A2A expressed in HEK293 cell membranes incubated for 30 mins by radioligand competition assay B 5.44 pKi 3660 nM Ki Eur J Med Chem (2020) 186: 111879-111879 [PMID:31780082]
GtoPdb - - 5.44 pKi 3660 nM Ki . A3 Adenosine Receptors from Cell Biology to Pharmacology and Therapeutics (2010)
A2A receptor/Adenosine A2a receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
ChEMBL Displacement of [3H]MSX2 from adenosine receptor A2A in rat brain striatum membranes incubated for 30 mins by radioligand competition assay B 5.68 pKi 2100 nM Ki Eur J Med Chem (2020) 186: 111879-111879 [PMID:31780082]
ChEMBL Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes. B 5.69 pKi 2050 nM Ki J. Med. Chem. (1999) 42: 706-721 [PMID:10052977]
GtoPdb - - 5.69 pKi 2050 nM Ki . A3 Adenosine Receptors from Cell Biology to Pharmacology and Therapeutics (2010)
A2B receptor/Adenosine A2b receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275]
GtoPdb - - 5 pKi >10000 nM Ki . A3 Adenosine Receptors from Cell Biology to Pharmacology and Therapeutics (2010)
ChEMBL Displacement of [3H]PSB-603 from human adenosine receptor A2B expressed in CHO cell membranes incubated for 75 mins by radioligand competition assay B 5 pKi >10000 nM Ki Eur J Med Chem (2020) 186: 111879-111879 [PMID:31780082]
A2B receptor in Mouse [GtoPdb: 20] [UniProtKB: Q60614]
GtoPdb - - 5 pKi >10000 nM Ki . A3 Adenosine Receptors from Cell Biology to Pharmacology and Therapeutics (2010)
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
ChEMBL Binding affinity towards Adenosine A3 receptor (W243 mutant receptor) B 5.67 pKi 2150 nM Ki J. Med. Chem. (2002) 45: 4471-4484 [PMID:12238926]
ChEMBL Binding affinity towards human Adenosine A3 receptor wild type B 6.62 pKi 238 nM Ki J. Med. Chem. (2002) 45: 4471-4484 [PMID:12238926]
GtoPdb - - 7.7 pKi 19.9 nM Ki J Med Chem (1998) 41: 3186-201 [PMID:9703464]
ChEMBL Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells B 7.72 pKi 7.72 uM Log Ki J. Med. Chem. (1999) 42: 706-721 [PMID:10052977]
ChEMBL Displacement of specific [125 I]AB-MECA binding at human Adenosine A3 receptor expressed in HEK cells B 7.72 pKi 18.9 nM Ki J. Med. Chem. (1999) 42: 706-721 [PMID:10052977]
ChEMBL Displacement of [3H]PSB-11 from human adenosine receptor A3 expressed in CHO cell membranes incubated for 60 mins by radioligand competition assay B 7.72 pKi 18.9 nM Ki Eur J Med Chem (2020) 186: 111879-111879 [PMID:31780082]
A3 receptor in Mouse [GtoPdb: 21] [UniProtKB: Q61618]
GtoPdb - - 6.14 pKi 731 nM Ki . A3 Adenosine Receptors from Cell Biology to Pharmacology and Therapeutics (2010)
A3 receptor/Adenosine A3 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3360] [GtoPdb: 21] [UniProtKB: P28647]
ChEMBL Binding affinity of adenosine derivative for endogenous rat Adenosine A3 receptor of RBL-2H3 B 6.45 pKi 357 nM Ki J. Med. Chem. (2002) 45: 4471-4484 [PMID:12238926]
ChEMBL Binding affinity of adenosine derivative for endogenous rat Adenosine A3 receptor expressed on CHO cell B 6.63 pKi 234 nM Ki J. Med. Chem. (2002) 45: 4471-4484 [PMID:12238926]
ChEMBL Displacement of specific [125I]AB-MECA binding at rat Adenosine A3 receptor stably expressed in CHO cells B 6.95 pKi 113 nM Ki J. Med. Chem. (1999) 42: 706-721 [PMID:10052977]
ChEMBL Displacement of [3H]NECA from rat adenosine receptor A3 expressed in CHO cell membranes incubated for 60 mins by radioligand competition assay B 6.95 pKi 113 nM Ki Eur J Med Chem (2020) 186: 111879-111879 [PMID:31780082]
GtoPdb - - 6.95 pKi 113 nM Ki . A3 Adenosine Receptors from Cell Biology to Pharmacology and Therapeutics (2010)
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR green assay F 4.8 pIC50 15848.93 nM IC50 Nat. Chem. Biol. (2009) 5: 765-771 [PMID:19734910]
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 7G8 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 D10 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 GB4 after 72 hrs by SYBR green assay F 5 pIC50 10000 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 5 pIC50 10000 nM IC50 Nat. Chem. Biol. (2009) 5: 765-771 [PMID:19734910]
Transmembrane domain-containing protein TMIGD3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3712907] [UniProtKB: P0DMS9]
ChEMBL Antagonist activity at adenosine A3 receptor in human NPE cells assessed as inhibition of adenosine-triggered cell shrinkage B 7.72 pKi 19 nM Ki J. Med. Chem. (2016) 59: 788-809 [PMID:26356532]

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, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos 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]