SCH442416 [Ligand Id: 3283] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL136689 (SCH-442416)
  • 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]
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  • A3 receptor/Adenosine A3 receptor in Human [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
  • A3 receptor/Adenosine A3 receptor in Rat [ChEMBL: CHEMBL3360] [GtoPdb: 21] [UniProtKB: P28647]
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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 - - 5.95 pKi 1110 nM Ki Nat Rev Drug Discov (2006) 5: 247-64 [PMID:16518376]
ChEMBL Inhibitory activity against human adenosine A1 receptor expressed in CHO cells by displacement of [3H]DPCPX B 5.95 pKi 1111 nM Ki J Med Chem (2000) 43: 4359-4362 [PMID:11087559]
ChEMBL Binding affinity to human adenosine A1 receptor B 5.95 pKi 1111 nM Ki Bioorg Med Chem (2010) 18: 7890-7899 [PMID:20937560]
ChEMBL Displacement of MRS7416 from recombinant human adenosine receptor A1 expressed in HEK293 cell membranes after 1 hr by FACS analysis B 8.42 pKi 3.8 nM Ki Medchemcomm (2017) 8: 1659-1667 [PMID:29250307]
ChEMBL Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells B 8.95 pKi 1.11 nM Ki J Med Chem (2014) 57: 6210-6225 [PMID:24972108]
A1 receptor/Adenosine A1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
ChEMBL Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain membranes B 5.74 pKi 1815 nM Ki J Med Chem (2000) 43: 4359-4362 [PMID:11087559]
A2A receptor/Adenosine A2a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
ChEMBL The A2A-StaR2 receptor has been purified from membranes in n-decyl-beta-D-maltoside as detergent. Ligands were prepared over a five-fold concentration series and injected in either a multi- or a single-cycle format depending on the kinetic parameters of the ligand. The actual concentrations as well as contact and dissociation times varied between the ligands depended on the kinetics and affinity of the interaction. The data were fitted to a 1:1 interaction model using the kinetics evaluation software from Biacore. A minimum of three measurements were recorded for each interaction. B 8.33 pKd 4.66 nM Kd K4DD drug target binding kinetics data
ChEMBL The A2A-StaR2 receptor has been purified from membranes in n-decyl-beta-D-maltoside as detergent. Then it has been reconstituted into rHDLs membrane discs.Ligands were prepared over a five-fold concentration series and injected in either a multi- or a single-cycle format depending on the kinetic parameters of the ligand. The actual concentrations as well as contact and dissociation times varied between the ligands depended on the kinetics and affinity of the interaction. The data were fitted to a 1:1 interaction model using the kinetics evaluation software from Biacore. A minimum of three measurements were recorded for each interaction. B 8.71 pKd 1.96 nM Kd K4DD drug target binding kinetics data
ChEMBL Competitive binding affinity to human adenosine A2A receptor expressed in HEK293 cells after 60 mins by fluorescence polarization assay in presence of MRS5346 B 7.95 pKi 11.1 nM Ki Bioorg Med Chem Lett (2013) 23: 26-36 [PMID:23200243]
ChEMBL Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting analysis B 8.39 pKi 4.1 nM Ki Bioorg Med Chem Lett (2013) 23: 26-36 [PMID:23200243]
ChEMBL Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells at 10 uM B 8.39 pKi 4.1 nM Ki Bioorg Med Chem Lett (2010) 20: 5690-5694 [PMID:20801028]
ChEMBL Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting B 8.39 pKi 4.1 nM Ki Bioorg Med Chem Lett (2011) 21: 2740-2745 [PMID:21185184]
ChEMBL Antagonist activity at human adenosine A2A receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in presence of forskolin measured after 40 mins by alpha screen LANCE assay F 9.52 pKi 0.3 nM Ki J Med Chem (2021) 64: 8161-8178 [PMID:34120444]
GtoPdb - - 10.3 pKi - - Ki J Med Chem (2000) 43: 4359-62 [PMID:11087559];
Bioorg Med Chem Lett (2010) 20: 5690-4 [PMID:20801028]
ChEMBL Binding affinity to human adenosine A2a receptor B 10.32 pKi >0.05 nM Ki Bioorg Med Chem (2010) 18: 7890-7899 [PMID:20937560]
ChEMBL Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells B 10.32 pKi 0.05 nM Ki J Med Chem (2014) 57: 6210-6225 [PMID:24972108]
ChEMBL Inhibitory activity against human adenosine A2A receptor expressed in HEK293 cells by displacement of [3H]SCH-58261 B 10.32 pKi 0.05 nM Ki J Med Chem (2000) 43: 4359-4362 [PMID:11087559]
A2A receptor/Adenosine A2a receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
ChEMBL Inhibitory activity against adenosine A2A receptor in rat striatal membranes by displacement of [3H]SCH-58261 B 9.3 pKi 0.5 nM Ki J Med Chem (2000) 43: 4359-4362 [PMID:11087559]
A2B receptor/Adenosine A2b receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275]
GtoPdb - - 5 pKi >10000 nM Ki Nat Rev Drug Discov (2006) 5: 247-64 [PMID:16518376]
ChEMBL Inhibitory activity against human adenosine A2B receptor expressed in HEK293 cells by displacement of [3H]DPCPX B 5 pKi >10000 nM Ki J Med Chem (2000) 43: 4359-4362 [PMID:11087559]
ChEMBL Binding affinity to human adenosine A2b receptor B 5 pKi >10000 nM Ki Bioorg Med Chem (2010) 18: 7890-7899 [PMID:20937560]
ChEMBL Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity F 5 pKi >10000 nM Ki J Med Chem (2014) 57: 6210-6225 [PMID:24972108]
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
GtoPdb - - 5 pKi >10000 nM Ki Nat Rev Drug Discov (2006) 5: 247-64 [PMID:16518376]
ChEMBL Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells B 5 pKi >10000 nM Ki J Med Chem (2000) 43: 4359-4362 [PMID:11087559]
ChEMBL Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells B 5 pKi >10000 nM Ki J Med Chem (2014) 57: 6210-6225 [PMID:24972108]
A3 receptor/Adenosine A3 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3360] [GtoPdb: 21] [UniProtKB: P28647]
ChEMBL Inhibitory activity against rat adenosine A3 receptor expressed in HEK293 cells by displacement of [125I]AB-MECA B 5 pKi >10000 nM Ki J Med Chem (2000) 43: 4359-4362 [PMID:11087559]
Adenosine receptor A3 in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1287626] [UniProtKB: Q0VC81]
ChEMBL Binding affinity to bovine adenosine A3 receptor B 5 pKi >10000 nM Ki Bioorg Med Chem (2010) 18: 7890-7899 [PMID:20937560]

ChEMBL data shown on this page come from version 34:

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]