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ChEMBL ligand: CHEMBL240624 (MK-3814, Preladenant, Sch-420814, SCH 420814, SCH-420814) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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] |
ChEMBL | Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells by liquid scintillation counting analysis | B | 6.53 | pKi | 295 | nM | Ki | J Med Chem (2021) 64: 8246-8262 [PMID:34107215] |
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 | Antagonist activity at human adenosine A2A receptor | B | 8.96 | pKi | 1.1 | nM | Ki | Medchemcomm (2019) 10: 1094-1108 [PMID:31391881] |
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 | Displacement of [3H]SCH58261 from human adenosine 2A receptor expressed in HEK293 cell membranes incubated for 1.5 hrs by radioligand competition binding assay | B | 8.96 | pKi | 1.1 | nM | Ki | J Med Chem (2020) 63: 12196-12212 [PMID:32667814] |
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 | Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells by liquid scintillation counting analysis | B | 9.06 | pKi | 0.88 | nM | Ki | J Med Chem (2021) 64: 8246-8262 [PMID:34107215] |
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] |
ChEMBL | Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells by liquid scintillation counting analysis | B | 6 | pKi | >1000 | nM | Ki | J Med Chem (2021) 64: 8246-8262 [PMID:34107215] |
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 | Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting analysis | B | 6 | pKi | >1000 | nM | Ki | J Med Chem (2021) 64: 8246-8262 [PMID:34107215] |
ChEMBL data shown on this page come from version 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]