SCH 58261 [Ligand Id: 403] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL17127 (SCH-58261)
  • A1 receptor/Adenosine A1 receptor in Human [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542]
  • Adenosine A1 receptor in Bovine [ChEMBL: CHEMBL4975] [UniProtKB: P28190]
  • 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]
  • A2B receptor/Adenosine A2b receptor in Rat [ChEMBL: CHEMBL2592] [GtoPdb: 20] [UniProtKB: P29276]
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  • A3 receptor/Adenosine A3 receptor in Human [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
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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 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells after 60 mins by rapid filtration assay B 6.23 pKi 594.1 nM Ki Bioorg. Med. Chem. (2010) 18: 2491-2500 [PMID:20303771]
ChEMBL Displacement of [3H]CHA from human Adenosine A1 receptor expressed in CHO cells B 6.26 pKi 549 nM Ki J. Med. Chem. (1998) 41: 2126-2133 [PMID:9622554]
ChEMBL Displacement of specific [3H]DPCPX binding at human Adenosine A1 receptor expressed in CHO cells. B 6.26 pKi 549 nM Ki J. Med. Chem. (2002) 45: 115-126 [PMID:11754583]
ChEMBL Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting B 6.26 pKi 549 nM Ki Bioorg. Med. Chem. (2012) 20: 1046-1059 [PMID:22204739]
ChEMBL Inhibition of human recombinant adenosine A1 receptor B 6.26 pKi 549 nM Ki J. Med. Chem. (2014) 57: 3623-3650 [PMID:24164628]
GtoPdb - - 6.3 pKi - - - J. Biol. Chem. (1994) 269: 2373-6 [PMID:8300561];
Naunyn Schmiedebergs Arch. Pharmacol. (1999) 359: 7-10 [PMID:9933143];
Nat Rev Drug Discov (2006) 5: 247-64 [PMID:16518376]
ChEMBL Binding affinity against adenosine A1 receptor in human cortical membranes using [3H]CHA as radioligand B 6.33 pKi 463 nM Ki J. Med. Chem. (2004) 47: 3019-3031 [PMID:15163184]
ChEMBL Binding affinity against human Adenosine A1 receptor B 6.54 pKi 287 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 3307-3312 [PMID:15149696]
Adenosine A1 receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4975] [UniProtKB: P28190]
ChEMBL Binding affinity against adenosine A1 receptor in bovine cortical membranes using [3H]CHA as radioligand B 6.45 pKi 357 nM Ki J. Med. Chem. (2004) 47: 3019-3031 [PMID:15163184]
A1 receptor/Adenosine A1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
ChEMBL Displacement of [3h]DPCPX from adenosine A receptor in rat cerebral cortex membrane B 6.41 pKi 390 nM Ki J. Med. Chem. (2004) 47: 6218-6229 [PMID:15566292]
ChEMBL Binding affinity towards Adenosine A1 receptor of rat cerebral cortex using [3H]-DPCPX as radioligand B 6.41 pKi 390 nM Ki Bioorg. Med. Chem. Lett. (2005) 15: 511-515 [PMID:15664803]
ChEMBL Binding affinity against Adenosine A1 receptor from rat cerebral cortex was determined using [3H]DPCPX as radioligand B 6.41 pKi 390 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 4831-4834 [PMID:15341933]
ChEMBL Binding affinity against Adenosine A1 receptor from rat cerebral cortex was determined using [3H]DPCPX as radioligand B 6.41 pKi 390 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 4835-4838 [PMID:15341934]
ChEMBL Inhibition of [3H]DPCPX binding to rat cerebral cortex adenosine A1 receptor B 6.41 pKi 390 nM Ki J. Med. Chem. (2004) 47: 4291-4299 [PMID:15294001]
ChEMBL Inhibition of [3H]DPCPX binding to adenosine A1 receptor of rat cerebral cortex B 6.41 pKi 390 nM Ki J. Med. Chem. (2005) 48: 2009-2018 [PMID:15771443]
ChEMBL Displacement of [3H]CHA from rat cortical membrane Adenosine A1 receptor B 6.92 pKi 121 nM Ki J. Med. Chem. (2003) 46: 1229-1241 [PMID:12646033]
ChEMBL Displacement of [3H]CHA from rat cortical membrane Adenosine A1 receptor. Parenthesis indicate 95% confidence limit. B 6.92 pKi 121 nM Ki J. Med. Chem. (1998) 41: 2126-2133 [PMID:9622554]
ChEMBL Binding ability of adenosine A1 receptor by using [3H]CHA as radioligand in rat whole brain homogenate B 6.92 pKi 121 nM Ki Bioorg. Med. Chem. Lett. (1994) 4: 2539-2544
ChEMBL Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates. B 6.92 pKi 121 nM Ki J. Med. Chem. (1996) 39: 1164-1171 [PMID:8676354]
A2A receptor/Adenosine A2a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
ChEMBL Purified A2A protein was immobilized via His-tag on NTA chip. Small molecule ligands were analyzed in multiple cycle kinetoc mode. No regeneration was applied. B 7.77 pKd 16.8 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. 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 8.19 pKd 6.52 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 8.4 pKd 4.02 nM Kd K4DD drug target binding kinetics data
ChEMBL A2A protein embedded into nanodisc was immobilized via His-tag on NTA chip. Small molecule ligands were analyzed in multiple cycle kinetic mode. No regeneration was applied. B 8.48 pKd 3.34 nM Kd K4DD drug target binding kinetics data
ChEMBL A2A protein embedded into nanodisc was immobilized via 1D4 antibody on the CM5 sensors. Small molecule ligands were analyzed in multiple cycle kinetic mode. No regeneration was applied. B 8.7 pKd 1.97 nM Kd K4DD drug target binding kinetics data
ChEMBL Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 as radioligand expressed in HEK cell membranes B 8.37 pKi 4.3 nM Ki Bioorg. Med. Chem. Lett. (2005) 15: 2119-2122 [PMID:15808481]
ChEMBL Binding affinity against adenosine A2 receptor in human striatal membranes using [3H]CGS-21680 as radioligand B 8.49 pKi 3.25 nM Ki J. Med. Chem. (2004) 47: 3019-3031 [PMID:15163184]
ChEMBL Binding affinity towards adenosine A2A receptor B 8.64 pKi 2.3 nM Ki Bioorg. Med. Chem. Lett. (2005) 15: 4809-4813 [PMID:16153830]
ChEMBL Antagonist activity at human adenosine A2A receptor F 8.7 pKi 2 nM Ki Bioorg. Med. Chem. Lett. (2008) 18: 4204-4209 [PMID:18558486]
ChEMBL Binding affinity against adenosine A2 receptor in bovine striatal membranes using [3H]-CGS-21,680 as radioligand B 8.7 pKi 2 nM Ki J. Med. Chem. (2004) 47: 3019-3031 [PMID:15163184]
ChEMBL Antagonist activity at human adenosine A2A receptor F 8.7 pKi 2 nM Ki Bioorg. Med. Chem. Lett. (2008) 18: 4199-4203 [PMID:18562199]
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 8.72 pKi 1.9 nM Ki Bioorg. Med. Chem. Lett. (2013) 23: 26-36 [PMID:23200243]
ChEMBL Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by rapid filtration assay B 8.91 pKi 1.23 nM Ki Bioorg. Med. Chem. (2010) 18: 2491-2500 [PMID:20303771]
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]-SCH- 58261 from human Adenosine A2A receptor expressed in CHO cells B 8.96 pKi 1.1 nM Ki J. Med. Chem. (1998) 41: 2126-2133 [PMID:9622554]
ChEMBL Displacement of specific [3H]-SCH- 58261 binding at human Adenosine A2A receptor expressed in HEK293 cells. B 8.96 pKi 1.1 nM Ki J. Med. Chem. (2002) 45: 115-126 [PMID:11754583]
ChEMBL Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells B 8.96 pKi 1.1 nM Ki Bioorg. Med. Chem. (2009) 17: 5259-5274 [PMID:19501513]
ChEMBL Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting B 8.96 pKi 1.1 nM Ki Bioorg. Med. Chem. (2012) 20: 1046-1059 [PMID:22204739]
GtoPdb - - 9.2 pKi - - - Naunyn Schmiedebergs Arch. Pharmacol. (1999) 359: 7-10 [PMID:9933143];
Biochem. Pharmacol. (1999) 57: 65-75 [PMID:9920286];
Br. J. Pharmacol. (1997) 121: 353-60 [PMID:9179373]
ChEMBL Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting analysis B 9.22 pKi 0.6 nM Ki Bioorg. Med. Chem. Lett. (2013) 23: 26-36 [PMID:23200243]
ChEMBL Binding affinity to human adenosine A2A receptor B 9.22 pKi 0.6 nM Ki J. Med. Chem. (2008) 51: 4449-4455 [PMID:18637670]
ChEMBL Binding affinity against human Adenosine A2a receptor (hA2a) B 9.22 pKi 0.6 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 3307-3312 [PMID:15149696]
ChEMBL Inhibition of 1 uM NECA-stimulated cyclic AMP levels in human platelets F 7.92 pIC50 12 nM IC50 J. Med. Chem. (1998) 41: 2126-2133 [PMID:9622554]
A2A receptor/Adenosine A2a receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
ChEMBL Binding affinity to adenosine receptor A2a in rat striatum B 9.15 pKd 0.7 nM Kd J. Med. Chem. (2014) 57: 3623-3650 [PMID:24164628]
ChEMBL Displacement [3H]-CGS-21,680 from Adenosine A2A receptor in rat striatal membrane. B 5.72 pKi 1900 nM Ki J. Med. Chem. (1996) 39: 398-406 [PMID:8558508]
ChEMBL Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane B 7.43 pKi 37 nM Ki J. Med. Chem. (2004) 47: 6218-6229 [PMID:15566292]
ChEMBL Binding affinity towards Adenosine A2A receptor of rat brain tissues using [3H]ZM-241385 as radioligand B 7.43 pKi 37 nM Ki Bioorg. Med. Chem. Lett. (2005) 15: 511-515 [PMID:15664803]
ChEMBL Binding affinity against Adenosine A2a receptor from rat brain tissue was determined using [3H]ZM-241385 as radioligand B 7.43 pKi 37 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 4831-4834 [PMID:15341933]
ChEMBL Binding affinity against Adenosine A2a receptor determined using [3H]ZM-241385 as radioligand B 7.43 pKi 37 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 4835-4838 [PMID:15341934]
ChEMBL Inhibition of [3H]ZM-241,385 binding to rat brain adenosine A2a receptor B 7.43 pKi 37 nM Ki J. Med. Chem. (2004) 47: 4291-4299 [PMID:15294001]
ChEMBL Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue B 7.43 pKi 37 nM Ki J. Med. Chem. (2005) 48: 2009-2018 [PMID:15771443]
ChEMBL Displacement of [3H]-CGS- 21680 from rat striatal membrane Adenosine A2A receptor B 8.64 pKi 2.3 nM Ki J. Med. Chem. (2003) 46: 1229-1241 [PMID:12646033]
ChEMBL Displacement of [3H]-CGS- 21680 from rat striatal membranes Adenosine A2A receptor. Parenthesis indicate 95% confidence limits. B 8.64 pKi 2.3 nM Ki J. Med. Chem. (1998) 41: 2126-2133 [PMID:9622554]
ChEMBL Binding ability of adenosine A2a receptor by using [3H]-CGS- as radioligand in rat striatal homogenate B 8.64 pKi 2.3 nM Ki Bioorg. Med. Chem. Lett. (1994) 4: 2539-2544
ChEMBL Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates. B 8.64 pKi 2.3 nM Ki J. Med. Chem. (1996) 39: 1164-1171 [PMID:8676354]
A2B receptor/Adenosine A2b receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275]
ChEMBL Displacement of specific [3H]DPCPX binding at human adenosine A2B receptor expressed in HEK293 cells. B 5 pKi >10000 nM Ki J. Med. Chem. (2002) 45: 115-126 [PMID:11754583]
ChEMBL Displacement of [3H]-DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins B 5 pKi >10000 nM Ki Bioorg. Med. Chem. (2012) 20: 1046-1059 [PMID:22204739]
ChEMBL Inhibition of human recombinant adenosine receptor A2b B 5.95 pKi 1110 nM Ki J. Med. Chem. (2014) 57: 3623-3650 [PMID:24164628]
GtoPdb - - 6.5 pKi - - - Mol. Pharmacol. (2000) 58: 1349-56 [PMID:11093773];
Nat Rev Drug Discov (2006) 5: 247-64 [PMID:16518376]
A2B receptor/Adenosine A2b receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2592] [GtoPdb: 20] [UniProtKB: P29276]
ChEMBL Displacement of [3H]-CGS- 21680 from rat striatal membrane adenosine A2B receptor B 6 pKi >1000 nM Ki J. Med. Chem. (2003) 46: 1229-1241 [PMID:12646033]
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
ChEMBL Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in HEK293 cells B 5 pKi >10000 nM Ki J. Med. Chem. (1998) 41: 2126-2133 [PMID:9622554]
ChEMBL Displacement of specific [3H]MRE3008-F20 binding at human adenosine A3 receptor expressed in CHO cells. B 5 pKi >10000 nM Ki J. Med. Chem. (2002) 45: 115-126 [PMID:11754583]
ChEMBL Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells B 5 pKi >10000 nM Ki Bioorg. Med. Chem. (2009) 17: 5259-5274 [PMID:19501513]
ChEMBL Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting B 5 pKi >10000 nM Ki Bioorg. Med. Chem. (2012) 20: 1046-1059 [PMID:22204739]
GtoPdb - - 5.92 pKi 1200 nM Ki Nat Rev Drug Discov (2006) 5: 247-64 [PMID:16518376]
ChEMBL Inhibition of human recombinant adenosine A3 receptor B 5.92 pKi 1200 nM Ki J. Med. Chem. (2014) 57: 3623-3650 [PMID:24164628]
ChEMBL Displacement of [3H]-AB MECA from human Adenosine A3 receptor expressed in HEK293 cells B 6 pKi >1000 nM Ki J. Med. Chem. (2003) 46: 1229-1241 [PMID:12646033]

ChEMBL data shown on this page come from version 26:

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]