ChEMBL ligand: CHEMBL240624 (MK-3814, Preladenant, Sch-420814, SCH 420814, SCH-420814)
A1 receptor/Adenosine receptor A1 in Human [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542] A1 receptor/Adenosine receptor A1 in Rat [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099] There should be some charts here, you may need to enable JavaScript!
A2A receptor/Adenosine receptor A2a in Human [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274] A2A receptor/Adenosine receptor A2a in Rat [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543] There should be some charts here, you may need to enable JavaScript!
A2B receptor/Adenosine receptor A2b in Human [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275] There should be some charts here, you may need to enable JavaScript!
A3 receptor/Adenosine receptor A3 in Human [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8] There should be some charts here, you may need to enable JavaScript!

DB	Assay description	Assay Type	Standard value	Standard parameter	Original value	Original units	Original parameter	Reference
A1 receptor/Adenosine receptor A1 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	Adenosine Receptor Binding Assay: Binding affinity of test compounds to four human adenosine receptors, A1, A2A, A2B and A3 was determined in radioligand competitive binding assay (conducted by Cerep, France) using following protocols. For A1 receptor (A1R), membrane homogenates from CHO cells transfected with A1R were incubated for 60 min at 22° C. with 1 nM [3H]DPCPX in the absence or presence of the test compound in a buffer containing 50 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 1 mM EDTA/Tris and 2 UI/mL ADA. For A2AR, membrane homogenates from HEK293 cells transfected with A2AR were incubated for 120 min at 22° C. with 6 nM [3H]CGS21680 in the absence or presence of the test compound in a buffer containing 50 mM Tris-HCl (pH 7.4), 10 mM MgCl2, and 2 UI/mL ADA. For A2B receptor (A2BR), membrane homogenates from HEK293 cells transfected with A2BR were incubated for 60 min at 22° C. with 5 nM [3H]CPX in the absence or presence of the test compound in a buffer containing 10 mM Hepes/Tris (pH 7), 1 mM MgCl2, and 1 mM EDTA. For A3 receptor (A3R), membrane homogenates from HEK293 cells transfected with A3R were incubated for 120 min at 22° C. with 0.15 nM [125I] AB-MECA in the absence or presence of the test compound in a buffer containing 50 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 1 mM EDTA and 2 UI/mL ADA. Nonspecific binding was determined in the presence of unlabeled 1 μM DPCPX, 10 μM NECA, 100 μM NECA, and 1 μM IB-MECA in A1R, A2AR, A2BR, A3R binding assays, respectively. Following incubation, the samples are rapidly filtered and washed with ice-cold 50 mM Tris-HCl. Then filters are dried and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard). Duplicate experiments were performed for each assay. The results are expressed as a percent inhibition of control radioligand specific binding.Mouse BBB Assay	B	6.47	pKi	337	nM	Ki	US-11472811-B2. Pyrazolotriazolopyrimidine derivatives as A2A receptor antagonist (2022)
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 receptor A1 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 receptor A2a 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	Adenosine Receptor Binding Assay: Binding affinity of test compounds to four human adenosine receptors, A1, A2A, A2B and A3 was determined in radioligand competitive binding assay (conducted by Cerep, France) using following protocols. For A1 receptor (A1R), membrane homogenates from CHO cells transfected with A1R were incubated for 60 min at 22° C. with 1 nM [3H]DPCPX in the absence or presence of the test compound in a buffer containing 50 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 1 mM EDTA/Tris and 2 UI/mL ADA. For A2AR, membrane homogenates from HEK293 cells transfected with A2AR were incubated for 120 min at 22° C. with 6 nM [3H]CGS21680 in the absence or presence of the test compound in a buffer containing 50 mM Tris-HCl (pH 7.4), 10 mM MgCl2, and 2 UI/mL ADA. For A2B receptor (A2BR), membrane homogenates from HEK293 cells transfected with A2BR were incubated for 60 min at 22° C. with 5 nM [3H]CPX in the absence or presence of the test compound in a buffer containing 10 mM Hepes/Tris (pH 7), 1 mM MgCl2, and 1 mM EDTA. For A3 receptor (A3R), membrane homogenates from HEK293 cells transfected with A3R were incubated for 120 min at 22° C. with 0.15 nM [125I] AB-MECA in the absence or presence of the test compound in a buffer containing 50 mM Tris-HCl (pH 7.4), 5 mM MgCl2, 1 mM EDTA and 2 UI/mL ADA. Nonspecific binding was determined in the presence of unlabeled 1 μM DPCPX, 10 μM NECA, 100 μM NECA, and 1 μM IB-MECA in A1R, A2AR, A2BR, A3R binding assays, respectively. Following incubation, the samples are rapidly filtered and washed with ice-cold 50 mM Tris-HCl. Then filters are dried and counted for radioactivity in a scintillation counter (Topcount, Packard) using a scintillation cocktail (Microscint 0, Packard). Duplicate experiments were performed for each assay. The results are expressed as a percent inhibition of control radioligand specific binding.Mouse BBB Assay	B	8.89	pKi	1.3	nM	Ki	US-11472811-B2. Pyrazolotriazolopyrimidine derivatives as A2A receptor antagonist (2022)
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	Antagonist activity at human adenosine A2A receptor	B	8.96	pKi	1.1	nM	Ki	Medchemcomm (2019) 10: 1094-1108 [PMID:31391881]
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	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]
ChEMBL	Antagonist activity at adenosine A2A receptor (unknown origin)	F	9.3	pKi	0.5	nM	Ki	Eur J Med Chem (2022) 227: 113907-113907 [PMID:34695776]
ChEMBL	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cell membrane incubated for 1 hr by microplate beta scintillation counting based radioligand inhibition assay	B	9.3	pKi	0.5	nM	Ki	Eur J Med Chem (2022) 241: 114620-114620 [PMID:35933788]
A2A receptor/Adenosine receptor A2a 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]
ChEMBL	Antagonistic Activity (IC50) of Compounds Against A2A Receptor: The IC50 (nM) values of the example compound HZ10126 and several reference compounds against the rat A2A receptor were measured in an in vitro assay, and the results are shown in Table 2. To be specific, each test compound was added to a 384-well plate Opti-Plate (PerkinElmer, 6007290) at a preset concentration and the wells were sealed with a sealing film. A 20 U A2A membrane (human adenosine A2A receptor membrane, PerkinElmer, RBHA2AM400UA) was added to 1 ml Assay Buffer (50 mM Tris-HCl, pH 7.4, 10 mM MgCl2, 1 mM EDTA, 1 μg/ml adenosine deaminase (Diazyme), 4° C.) to a final concentration of 25 nM, of which 50 μl was taken and added to the Opti-plate and incubated at 25° C. for 90 min. 100 μl of a 0.5% PEI solution was added to a UNIFILTER-96 GF/B filter plate (PerkinElmer, 6005177) to soak the filter plate at 4° C. for 90 min, and each well was washed twice with 500 μl Washing Buffer (50 mM Tris-HCl, pH 7.4, 154 mM NaCl). The mixture in the Opti-plate was transferred to the UNIFILTER-96 GF/B filter plate, which was then washed 9 times with Washing Buffer (500 μl/well), and incubated at 55° C. for 10 min. 40 μl ULTIMA GOLD scintillation liquid (PerkinElmer, 77-16061) was added to each well, and the CPM (count per minute) value was read with TopCount (PerkinElmer, NTX). A series of concentrations were established for each compound and the CPM values were plotted versus the concentrations. IC50 values were calculated from the curve obtained. The reference compound is (3H)-CGS 21680, 250 μCi (30.7 Ci/mM) (PerkinElmer, NET1021).	B	8.6	pIC50	2.5	nM	IC50	US-11440916-B2. Selective A2A receptor antagonist (2022)
A2B receptor/Adenosine receptor A2b 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 receptor A3 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 36:

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]