preladenant [Ligand Id: 5614] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL240624 (Preladenant, MK-3814, SCH-420814)
  • 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]
1 CHEMBL240624_lig_chart_1 Adenosine A1 receptor HumanRat
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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]
2 CHEMBL240624_lig_chart_2 Adenosine A2a receptor HumanRat
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  • A2B receptor/Adenosine A2b receptor in Human [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275]
3 CHEMBL240624_lig_chart_3 Adenosine A2b receptor Human
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  • A3 receptor/Adenosine A3 receptor in Human [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
4 CHEMBL240624_lig_chart_4 Adenosine A3 receptor Human
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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 Inhibition of human recombinant adenosine A1 receptor B 5.83 pKi 1474 nM Ki J. Med. Chem. (2014) 57: 3623-3650 [PMID:24164628]
GtoPdb - - 6 pKi >1000 nM Ki Recent Pat CNS Drug Discov (2007) 2: 1-21 [PMID:18221214]
ChEMBL Binding affinity to human adenosine A1 receptor B 6 pKi >1000 nM Ki Bioorg. Med. Chem. Lett. (2007) 17: 1376-1380 [PMID:17236762]
ChEMBL Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting B 6 pKi >1000 nM Ki Bioorg. Med. Chem. Lett. (2010) 20: 5241-5244 [PMID:20659802]
ChEMBL Inhibition of human recombinant adenosine A1 receptor B 6 pKi >996 nM Ki J. Med. Chem. (2014) 57: 3623-3650 [PMID:24164628]
ChEMBL Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting analysis B 6.53 pKi 295 nM Ki J. Med. Chem. (2013) 56: 4580-4596 [PMID:23631427]
A1 receptor/Adenosine A1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
ChEMBL Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes after 90 mins by liquid scintillation counting analysis B 7.16 pKi 68.7 nM Ki J. Med. Chem. (2013) 56: 4580-4596 [PMID:23631427]
A2A receptor/Adenosine A2a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
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 9.5 pKd 0.32 nM Kd J. Med. Chem. (2011) 54: 4312-4323 [PMID:21661720]
ChEMBL Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting B 8.3 pKi 5 nM Ki Bioorg. Med. Chem. Lett. (2010) 20: 5241-5244 [PMID:20659802]
ChEMBL Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting B 8.3 pKi 5 nM Ki J. Med. Chem. (2011) 54: 751-764 [PMID:21210664]
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 8.8 pKi 1.58 nM Ki J. Med. Chem. (2011) 54: 4312-4323 [PMID:21661720]
ChEMBL Inhibition of human recombinant adenosine receptor A2a F 8.96 pKi 1.1 nM Ki J. Med. Chem. (2014) 57: 3623-3650 [PMID:24164628]
ChEMBL Binding affinity to human adenosine A2A receptor B 8.96 pKi 1.1 nM Ki Bioorg. Med. Chem. Lett. (2007) 17: 1376-1380 [PMID:17236762]
ChEMBL Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in HEK293 cells B 9 pKi 1 nM Ki Bioorg. Med. Chem. Lett. (2014) 24: 152-155 [PMID:24332624]
GtoPdb - - 9.05 pKi 0.9 nM Ki Recent Pat CNS Drug Discov (2007) 2: 1-21 [PMID:18221214]
ChEMBL Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis B 9.05 pKi 0.88 nM Ki J. Med. Chem. (2013) 56: 4580-4596 [PMID:23631427]
ChEMBL Inhibition of human recombinant adenosine receptor A2a F 9.22 pKi 0.6 nM Ki J. Med. Chem. (2014) 57: 3623-3650 [PMID:24164628]
ChEMBL Antagonist activity at adenosine A2A receptor (unknown origin) F 9.3 pKi 0.5 nM Ki Eur J Med Chem (2018) 144: 151-163 [PMID:29268131]
A2A receptor/Adenosine A2a receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
ChEMBL Binding affinity to rat adenosine A2A receptor B 8.6 pKi 2.5 nM Ki Bioorg. Med. Chem. Lett. (2007) 17: 1376-1380 [PMID:17236762]
ChEMBL Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membranes after 30 mins by liquid scintillation counting analysis B 9.18 pKi 0.66 nM Ki J. Med. Chem. (2013) 56: 4580-4596 [PMID:23631427]
A2B receptor/Adenosine A2b receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275]
ChEMBL Binding affinity to human adenosine A2B receptor B 5.77 pKi >1700 nM Ki Bioorg. Med. Chem. Lett. (2007) 17: 1376-1380 [PMID:17236762]
ChEMBL Inhibition of human recombinant adenosine receptor A2b B 5.77 pKi >1700 nM Ki J. Med. Chem. (2014) 57: 3623-3650 [PMID:24164628]
GtoPdb - - 6 pKi >1000 nM Ki Recent Pat CNS Drug Discov (2007) 2: 1-21 [PMID:18221214]
ChEMBL Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells after 75 mins by liquid scintillation counting analysis B 6 pKi >1000 nM Ki J. Med. Chem. (2013) 56: 4580-4596 [PMID:23631427]
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
GtoPdb - - 6 pKi >1000 nM Ki Recent Pat CNS Drug Discov (2007) 2: 1-21 [PMID:18221214]
ChEMBL Binding affinity to human adenosine A3 receptor B 6 pKi >1000 nM Ki Bioorg. Med. Chem. Lett. (2007) 17: 1376-1380 [PMID:17236762]
ChEMBL Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by liquid scintillation counting analysis B 6 pKi >1000 nM Ki J. Med. Chem. (2013) 56: 4580-4596 [PMID:23631427]
ChEMBL Inhibition of human recombinant adenosine A3 receptor B 6 pKi >1000 nM Ki J. Med. Chem. (2014) 57: 3623-3650 [PMID:24164628]

ChEMBL data shown on this page come from version 27:

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]