MRS5980 [Ligand Id: 14222] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL3407784
  • 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]
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  • NET/Norepinephrine transporter in Human [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975]
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  • SERT/Serotonin transporter in Human [ChEMBL: CHEMBL228] [GtoPdb: 928] [UniProtKB: P31645]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
ChEMBL Binding affinity to human adenosine A3 receptor measured by radioligand binding assay B 6.15 pKi 700 nM Ki ACS Med Chem Lett (2022) 13: 623-631 [PMID:35450351]
ChEMBL Displacement of [125I]I-AB-MECA from human recombinant A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting B 9.15 pKi 0.7 nM Ki J Med Chem (2014) 57: 9901-9914 [PMID:25422861]
ChEMBL Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from human adenosine A3 receptor expressed in CHO cell membranes B 9.15 pKi 0.7 nM Ki ACS Med Chem Lett (2015) 6: 804-808 [PMID:26191370]
ChEMBL Displacement of [125I]I-AB-MECA from recombinant human adenosine A3 receptor expressed in CHO cell membranes B 9.15 pKi 0.7 nM Ki Medchemcomm (2018) 9: 1920-1932 [PMID:30568760]
ChEMBL Binding affinity to human A3AR assessed as inhibitor constant B 9.15 pKi 0.7 nM Ki ACS Med Chem Lett (2020) 11: 1935-1941 [PMID:33062176]
GtoPdb - - 8.71 pEC50 1.95 nM EC50 ACS Pharmacol Transl Sci (2024) 7: 2154-2173 [PMID:39022354]
A3 receptor/Adenosine A3 receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075269] [GtoPdb: 21] [UniProtKB: Q61618]
ChEMBL Displacement of [125I]I-AB-MECA from mouse A3 adenosine receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting B 7.44 pKi 36.1 nM Ki J Med Chem (2014) 57: 9901-9914 [PMID:25422861]
ChEMBL Displacement of [125I]I-AB-MECA from recombinant mouse adenosine A3 receptor expressed in HEK293 cell membranes B 7.44 pKi 36 nM Ki Medchemcomm (2018) 9: 1920-1932 [PMID:30568760]
ChEMBL Binding affinity to mouse adenosine A3 receptor expressed in HEK293 cell membranes B 4.44 pIC50 36000 nM IC50 ACS Med Chem Lett (2015) 6: 804-808 [PMID:26191370]
ChEMBL Agonist activity at mouse A3 adenosine receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 15 mins F 9.22 pEC50 0.6 nM EC50 J Med Chem (2014) 57: 9901-9914 [PMID:25422861]
Adenosine receptor A3 in Dog (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3611963] [UniProtKB: Q28309]
ChEMBL Binding affinity to canine adenosine A3 receptor expressed in HEK293 cell membranes B 5.07 pIC50 8500 nM IC50 ACS Med Chem Lett (2015) 6: 804-808 [PMID:26191370]
DAT/Dopamine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL238] [GtoPdb: 927] [UniProtKB: Q01959]
ChEMBL Inhibition of recombinant human DAT expressed in HEK293 cell membranes assessed as reduction in [3H]-DA uptake incubated for 22 mins by micro beta scintillation counting analysis B 6.6 pIC50 253 nM IC50 J Med Chem (2017) 60: 3109-3123 [PMID:28319392]
ChEMBL Enhancing of [3H]mazindol binding to recombinant human DAT expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addition measured after 90 mins by micro beta scintillation counting analysis B 6.88 pEC50 131 nM EC50 J Med Chem (2017) 60: 3109-3123 [PMID:28319392]
ChEMBL Enhancing of [125I]RTI-55 binding to recombinant human DAT expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addition measured after 90 mins by micro beta scintillation counting analysis B 7.45 pEC50 35.1 nM EC50 J Med Chem (2017) 60: 3109-3123 [PMID:28319392]
DAT/Dopamine transporter in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2799] [GtoPdb: 927] [UniProtKB: Q61327]
ChEMBL Inhibition of mouse DAT expressed in HEK293 cells assessed as reduction in [3H]-DA uptake B 5.64 pIC50 2290 nM IC50 J Med Chem (2017) 60: 3109-3123 [PMID:28319392]
ChEMBL Enhancing of [125I]RTI-55 binding to mouse DAT expressed in HEK293 cells preincubated for 10 mins followed by radioligand addition measured after 90 mins by micro beta scintillation counting analysis B 5.65 pEC50 2230 nM EC50 J Med Chem (2017) 60: 3109-3123 [PMID:28319392]
Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809]
ChEMBL Inhibition of human ERG by PDSP screening B 4.89 pIC50 12900 nM IC50 J Med Chem (2014) 57: 9901-9914 [PMID:25422861]
NET/Norepinephrine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975]
ChEMBL Inhibition of recombinant human NET expressed in HEK293 cell membranes assessed as reduction in [3H]-norepinephrine uptake incubated for 22 mins by micro beta scintillation counting analysis B 5 pIC50 >10000 nM IC50 J Med Chem (2017) 60: 3109-3123 [PMID:28319392]
ChEMBL Enhancing of [3H]mazindol binding to recombinant human NET expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addition measured after 90 mins by micro beta scintillation counting analysis B 5 pEC50 >10000 nM EC50 J Med Chem (2017) 60: 3109-3123 [PMID:28319392]
ChEMBL Enhancing of [125I]RTI-55 binding to recombinant human NET expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addition measured after 90 mins by micro beta scintillation counting analysis B 5.93 pEC50 1180 nM EC50 J Med Chem (2017) 60: 3109-3123 [PMID:28319392]
SERT/Serotonin transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL228] [GtoPdb: 928] [UniProtKB: P31645]
ChEMBL Inhibition of recombinant human SERT expressed in HEK293 cell membranes assessed as reduction in [3H]5-HT uptake incubated for 22 mins by micro beta scintillation counting analysis B 8 pIC50 >10 nM IC50 J Med Chem (2017) 60: 3109-3123 [PMID:28319392]
ChEMBL Enhancing of [125I]RTI-55 binding to recombinant human SERT expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addition measured after 90 mins by micro beta scintillation counting analysis B 5 pEC50 >10000 nM EC50 J Med Chem (2017) 60: 3109-3123 [PMID:28319392]
ChEMBL Enhancing of [3H]mazindol binding to recombinant human SERT expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addition measured after 90 mins by micro beta scintillation counting analysis B 5 pEC50 >10000 nM EC50 J Med Chem (2017) 60: 3109-3123 [PMID:28319392]

ChEMBL data shown on this page come from version 35:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]