ZM-241385 [Ligand Id: 405] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL113142 (ZM-241385)
  • 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]
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  • D2 receptor/Dopamine D2 receptor in Human [ChEMBL: CHEMBL217] [GtoPdb: 215] [UniProtKB: P14416]
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  • histone deacetylase 1/Histone deacetylase 1 in Human [ChEMBL: CHEMBL325] [GtoPdb: 2658] [UniProtKB: Q13547]
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  • histone deacetylase 6/Histone deacetylase 6 in Human [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7]
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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 The A1-StaR 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. B 6.61 pKd 245.4 nM Kd K4DD drug target binding kinetics data
ChEMBL Antagonist activity at A1AR (unknown origin) B 5.69 pKi 2041.74 nM Ki Eur J Med Chem (2020) 187: 111936-111936 [PMID:31855793]
ChEMBL Antagonist activity at human adenosine A1 receptor assessed as cAMP level by cell based assay F 6.11 pKi 774 nM Ki Bioorg Med Chem Lett (2013) 23: 3427-3433 [PMID:23602401]
ChEMBL Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane assessed as inhibition constant incubated for 60 mins by competitive binding assay B 6.17 pKi 683 nM Ki J Med Chem (2023) 66: 890-912 [PMID:36517209]
ChEMBL Displacement of [3H]DPCPX from human recombinant A1 receptor expressed in CHOA1 cell membranes incubated for 60 mins by radioligand binding competition assay B 6.17 pKi 683 nM Ki J Med Chem (2019) 62: 9315-9330 [PMID:31557025]
ChEMBL Displacement [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes incubated for 60 mins by scintillation counting method B 6.17 pKi 683 nM Ki J Med Chem (2020) 63: 7721-7739 [PMID:32573250]
ChEMBL Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 60 mins B 6.17 pKi 683 nM Ki J Med Chem (2017) 60: 3372-3382 [PMID:28368607]
ChEMBL Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes incubated for 60 mins by scintillation counting method B 6.17 pKi 683 nM Ki J Med Chem (2021) 64: 458-480 [PMID:33372800]
ChEMBL Displacement of [3H]DPCPX from human Adenosine A1 receptor expressed in CHO cells after 60 mins B 6.17 pKi 683 nM Ki J Med Chem (2016) 59: 1967-1983 [PMID:26824742]
ChEMBL Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane incubated for 60 mins by microbeta trilux scintillation counter analysis B 6.17 pKi 683 nM Ki J Med Chem (2022) 65: 2091-2106 [PMID:35068155]
ChEMBL Displacement of [3H]DPCPX from human cloned adenosine A1 receptor expressed in CHOK1 cells by scintillation counting B 6.27 pKi 540 nM Ki Eur J Med Chem (2009) 44: 2122-2127 [PMID:19036477]
ChEMBL Binding affinity towards human Adenosine A1 receptor expressed in CHO cells using 1 nM [3H]DPCPX B 6.51 pKi 307.9 nM Ki J Med Chem (2005) 48: 6887-6896 [PMID:16250647]
ChEMBL Binding affinity against human Adenosine A1 receptor B 6.59 pKi 255 nM Ki Bioorg Med Chem Lett (2004) 14: 3307-3312 [PMID:15149696]
ChEMBL Inhibition of human recombinant adenosine A1 receptor B 6.59 pKi 255 nM Ki J Med Chem (2014) 57: 3623-3650 [PMID:24164628]
ChEMBL Inhibition of human adenosine A1 receptor B 6.59 pKi 255 nM Ki J Med Chem (2020) 63: 12196-12212 [PMID:32667814]
GtoPdb - - 6.6 pKi - - - Naunyn Schmiedebergs Arch Pharmacol (1999) 359: 7-10 [PMID:9933143];
Nat Rev Drug Discov (2006) 5: 247-64 [PMID:16518376]
ChEMBL Antagonist activity at human A1 adenosine receptor B 6.65 pKi 225 nM Ki Bioorg Med Chem Lett (2020) 30: 127274-127274 [PMID:32631506]
ChEMBL Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method B 6.73 pKi 185 nM Ki J Med Chem (2016) 59: 10564-10576 [PMID:27933962]
ChEMBL Displacement of [125I]DPCPX from human cloned adenosine A1 receptor expressed in CHO cells after 120 mins by scintillation counting B 6.74 pKi 180 nM Ki J Med Chem (2009) 52: 7640-7652 [PMID:19743865]
ChEMBL Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method B 6.75 pKi 178 nM Ki Eur J Med Chem (2018) 155: 552-561 [PMID:29909340]
A1 receptor/Adenosine A1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
ChEMBL Inhibition of [3H]DPCPX binding to adenosine A1 receptor of rat cerebral cortex B 6.17 pKi 680 nM Ki J Med Chem (2005) 48: 2009-2018 [PMID:15771443]
ChEMBL Inhibition of [3H]DPCPX binding to rat cerebral cortex adenosine A1 receptor B 6.17 pKi 680 nM Ki J Med Chem (2004) 47: 4291-4299 [PMID:15294001]
ChEMBL Displacement of [3H]DPCPX from Sprague-Dawley rat whole brain membrane A1AR in presence of GTP by radioligand binding assay B 6.29 pKi 510 nM Ki Bioorg Med Chem Lett (2020) 30: 127274-127274 [PMID:32631506]
ChEMBL Displacement of [3H]DPCPX from Sprague-Dawley rat whole brain membrane A1AR by scintillation counting analysis B 6.38 pKi 420 nM Ki Bioorg Med Chem Lett (2020) 30: 127274-127274 [PMID:32631506]
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 7.99 pKd 10.28 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 8.4 pKd 3.99 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 8.58 pKd 2.63 nM Kd K4DD drug target binding kinetics data
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 8.9 pKd 1.26 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 8.91 pKd 1.23 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 9.22 pKd 0.6 nM Kd K4DD drug target binding kinetics data
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 9.3 pKd 0.5 nM Kd J Med Chem (2011) 54: 4312-4323 [PMID:21661720]
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 9.4 pKd 0.4 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 9.46 pKd 0.35 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 9.49 pKd 0.32 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 9.54 pKd 0.29 nM Kd K4DD drug target binding kinetics data
ChEMBL Binding affinity to human wild type adenosine A2A receptor expressed in Expi293F cells assessed as dissociation constant by surface plasmon resonance assay B 9.54 pKd 0.29 nM Kd ACS Med Chem Lett (2022) 13: 1172-1181 [PMID:35859869]
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 9.63 pKd 0.24 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 9.69 pKd 0.21 nM Kd K4DD drug target binding kinetics data
ChEMBL Displacement of [3H]ZM-241385 from human cloned adenosine A2A receptor expressed in HEK293 cells by scintillation counting B 7.19 pKi 64 nM Ki Eur J Med Chem (2009) 44: 2122-2127 [PMID:19036477]
ChEMBL Displacement of MRS5346 from C-terminal 10xHis and 1D4-tagged C-terminal-truncated human A2A adenosine receptor (1 to 316 residues) expressed in Pichia pastoris expression system after 1 hr by fluorescence polarization assay B 8.28 pKi 5.3 nM Ki ACS Med Chem Lett (2017) 8: 660-665 [PMID:28626529]
ChEMBL Displacement of [3H]SCH58261 from adenosine A2A receptor membrane (unknown origin) measured after 60 mins by scintillation counting analysis B 8.59 pKi 2.6 nM Ki J Med Chem (2021) 64: 16573-16597 [PMID:34783558]
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 8.7 pKi 2 nM Ki J Med Chem (2011) 54: 4312-4323 [PMID:21661720]
ChEMBL Displacement of [3H]DPCPX from human A2AAR expressed in human HeLa cell membrane assessed as inhibition constant incubated for 30 mins by competitive binding assay B 8.72 pKi 1.9 nM Ki J Med Chem (2023) 66: 890-912 [PMID:36517209]
ChEMBL Displacement of [3H]ZM241385 from human Adenosine A2A receptor expressed in HeLa cells after 30 mins B 8.72 pKi 1.9 nM Ki J Med Chem (2016) 59: 1967-1983 [PMID:26824742]
ChEMBL Displacement of [3H]4-(2-[7-amino-2-(2-furyl)[1,2,4]triazolo[2,3-a][1,3,5]triazin-5-ylamino]ethyl)phenol from human adenosine A2A receptor expressed in human Hela cell membranes after 30 mins B 8.72 pKi 1.9 nM Ki J Med Chem (2017) 60: 3372-3382 [PMID:28368607]
ChEMBL Displacement of [3H]ZM241385 from human recombinant A2A receptor expressed in human HeLa cell membranes incubated for 30 mins by radioligand binding competition assay B 8.72 pKi 1.9 nM Ki J Med Chem (2019) 62: 9315-9330 [PMID:31557025]
ChEMBL Displacement [3H]ZM241385 from adenosine A2A receptor in human HeLa cell membranes incubated for 30 mins by scintillation counting method B 8.72 pKi 1.9 nM Ki J Med Chem (2020) 63: 7721-7739 [PMID:32573250]
ChEMBL Displacement of [3H]ZM2421385 from adenosine A2A receptor expressed in human HeLa cell membranes incubated for 30 mins by scintillation counting method B 8.72 pKi 1.9 nM Ki J Med Chem (2021) 64: 458-480 [PMID:33372800]
ChEMBL Displacement of [3H]HZ241385 from human A2AAR expressed in HeLa cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysis B 8.72 pKi 1.9 nM Ki J Med Chem (2022) 65: 2091-2106 [PMID:35068155]
ChEMBL Antagonist activity at adenosine A2A receptor (unknown origin) F 8.8 pKi 1.6 nM Ki Eur J Med Chem (2022) 227: 113907-113907 [PMID:34695776]
ChEMBL Displacement of [3H]-ZM241385 from human adenosine A2A receptor by scintillation spectroscopy B 8.8 pKi 1.6 nM Ki J Med Chem (2016) 59: 788-809 [PMID:26356532]
ChEMBL Antagonist activity at adenosine A2A receptor (unknown origin) F 8.8 pKi 1.6 nM Ki Eur J Med Chem (2018) 144: 151-163 [PMID:29268131]
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 8.8 pKi 1.6 nM Ki Eur J Med Chem (2022) 241: 114620-114620 [PMID:35933788]
ChEMBL Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting analysis B 8.8 pKi 1.6 nM Ki Bioorg Med Chem Lett (2013) 23: 26-36 [PMID:23200243]
ChEMBL Antagonist activity at human adenosine A2A receptor assessed as cAMP level by cell based assay F 8.8 pKi 1.6 nM Ki Bioorg Med Chem Lett (2013) 23: 3427-3433 [PMID:23602401]
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 8.89 pKi 1.3 nM Ki Bioorg Med Chem Lett (2013) 23: 26-36 [PMID:23200243]
ChEMBL Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 1 hr by TopCount microplate scintillation counting method B 8.89 pKi 1.3 nM Ki Eur J Med Chem (2018) 144: 151-163 [PMID:29268131]
ChEMBL Displacement of [125I]Z241385 from human cloned adenosine A2A receptor expressed in CHO cells after 120 mins by scintillation counting B 8.92 pKi 1.2 nM Ki J Med Chem (2009) 52: 7640-7652 [PMID:19743865]
ChEMBL Displacement of [3H]-CGS21680 from human adenosine A2A receptor expressed in CHO cell membranes measured after 90 mins by scintillation counting method B 9.03 pKi 0.93 nM Ki J Med Chem (2016) 59: 10564-10576 [PMID:27933962]
ChEMBL Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting method B 9.04 pKi 0.91 nM Ki J Med Chem (2016) 59: 10564-10576 [PMID:27933962]
ChEMBL Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes measured after 60 mins by scintillation counting method B 9.06 pKi 0.87 nM Ki Eur J Med Chem (2018) 155: 552-561 [PMID:29909340]
ChEMBL Inhibition of human recombinant adenosine receptor A2a F 9.1 pKi 0.8 nM Ki J Med Chem (2014) 57: 3623-3650 [PMID:24164628]
ChEMBL Binding affinity against human Adenosine A2a receptor (hA2a) B 9.1 pKi 0.8 nM Ki Bioorg Med Chem Lett (2004) 14: 3307-3312 [PMID:15149696]
ChEMBL Antagonist activity at human adenosine 2A receptor B 9.1 pKi 0.8 nM Ki J Med Chem (2020) 63: 12196-12212 [PMID:32667814]
ChEMBL Binding affinity to human adenosine A2A receptor B 9.1 pKi 0.8 nM Ki J Med Chem (2008) 51: 4449-4455 [PMID:18637670]
GtoPdb - - 9.1 pKi - - - Naunyn Schmiedebergs Arch Pharmacol (1999) 359: 7-10 [PMID:9933143]
ChEMBL Displacement of [3H]-ZM241385 from wild type human adenosine receptor A2a expressed in HEK293 cell membranes after 240 mins by scintillation counting B 9.4 pKi 0.4 nM Ki J Med Chem (2016) 59: 6470-6479 [PMID:27312113]
ChEMBL Binding affinity to human wild type adenosine A2A receptor expressed in Expi293F cells assessed as inhibition constant by surface plasmon resonance assay B 9.4 pKi 0.4 nM Ki ACS Med Chem Lett (2022) 13: 1172-1181 [PMID:35859869]
ChEMBL Antagonist activity at A2AR (unknown origin) B 9.52 pKi 0.3 nM Ki Eur J Med Chem (2020) 187: 111936-111936 [PMID:31855793]
ChEMBL Binding affinity towards adenosine A2A receptor B 9.52 pKi 0.3 nM Ki Bioorg Med Chem Lett (2005) 15: 4809-4813 [PMID:16153830]
ChEMBL Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells using 6 nM [3H]CGS-21680 B 10 pKi 0.1 nM Ki J Med Chem (2005) 48: 6887-6896 [PMID:16250647]
ChEMBL Antagonist activity at human adenosine A2A receptor expressed in HEK293 cell membranes assessed as inhibition of CGS241680-induced [35S]GTPgammaS binding preincubated for 10 mins followed by CGS241680 addition by TopCount scintillation counting method F 7.09 pIC50 80.8 nM IC50 Eur J Med Chem (2018) 144: 151-163 [PMID:29268131]
ChEMBL Antagonist activity at recombinant human adenosine A2A receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production after 60 mins F 7.38 pIC50 42 nM IC50 Bioorg Med Chem Lett (2013) 23: 3427-3433 [PMID:23602401]
ChEMBL Antagonist activity at recombinant human adenosine A2A receptor expressed in CHO cells assessed as inhibition of NECA-induced cAMP production after 60 mins F 7.38 pIC50 41.69 nM IC50 Bioorg Med Chem Lett (2013) 23: 3427-3433 [PMID:23602401]
ChEMBL Inhibition of human adenosine A2A receptor expressed in FlpIn-CHO cells assessed as inhibition of NECA-induced cAMP accumulation incubated for 30 mins by fluorescence assay F 7.48 pIC50 33.11 nM IC50 J Med Chem (2015) 58: 718-738 [PMID:25490054]
ChEMBL Inhibition of human adenosine A2A receptor expressed in FlpIn-CHO cells assessed as inhibition of NECA-induced cAMP accumulation incubated for 30 mins by fluorescence assay F 7.48 pIC50 33 nM IC50 J Med Chem (2015) 58: 718-738 [PMID:25490054]
ChEMBL Antagonist activity at human adenosine A2A receptor expressed in HEK293T cells assessed as inhibition of NECA-induced Gs short protein activation by TRUPATH assay F 8.82 pIC50 1.51 nM IC50 ACS Med Chem Lett (2022) 13: 1172-1181 [PMID:35859869]
ChEMBL Inverse agonist activity at human A2A receptor assessed as inhibition of cAMP accumulation F 8.84 pIC50 1.45 nM IC50 Eur J Med Chem (2022) 227: 113907-113907 [PMID:34695776]
ChEMBL Inverse agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins in presence of [3H]cAMP by scintillation counting method F 8.84 pIC50 1.45 nM IC50 J Med Chem (2016) 59: 10564-10576 [PMID:27933962]
ChEMBL Inverse agonist activity at human adenosine A2A receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins in presence of [3H]cAMP by scintillation counting method F 8.91 pIC50 1.24 nM IC50 Eur J Med Chem (2018) 155: 552-561 [PMID:29909340]
ChEMBL Antagonist activity against human adenosine A2A receptor expressed in CHO cells assessed as inhibition of CGS21680-stimulated cAMP accumulation measured after 150 mins in presence of [3H]cAMP by scintillation counting method F 9.08 pIC50 0.83 nM IC50 Eur J Med Chem (2018) 155: 552-561 [PMID:29909340]
ChEMBL Antagonist activity against human adenosine A2A receptor expressed in CHO cells assessed as inhibition of CGS21680-stimulated cAMP accumulation measured after 150 mins in presence of [3H]cAMP by scintillation counting method F 9.17 pIC50 0.68 nM IC50 J Med Chem (2016) 59: 10564-10576 [PMID:27933962]
A2A receptor/Adenosine A2a receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
ChEMBL Displacement [3H]-CGS-21,680 from Adenosine A2A receptor in rat striatal membrane. B 6.28 pKi 530 nM Ki J Med Chem (1996) 39: 398-406 [PMID:8558508]
ChEMBL Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membranes after 1 hr by scintillation counting analysis B 8.54 pKi 2.88 nM Ki Eur J Med Chem (2015) 104: 177-188 [PMID:26462195]
ChEMBL Displacement of [3H]NECA from rat adenosine A2A receptor expressed in CHO cell membranes by radioligand competition assay B 8.55 pKi 2.8 nM Ki J Med Chem (2019) 62: 8511-8531 [PMID:31453698]
ChEMBL Displacement of [3H]-NECA from Adenosine A2A receptor in rat striatal membranes B 8.66 pKi 2.2 nM Ki Bioorg Med Chem (2015) 23: 6641-6649 [PMID:26392370]
ChEMBL Antagonist activity at rat A2A adenosine receptor B 8.7 pKi 2 nM Ki Bioorg Med Chem Lett (2020) 30: 127274-127274 [PMID:32631506]
ChEMBL Displacement of [3H]NECA from adenosine A2A receptor in rat striatal membrane B 8.7 pKi 2 nM Ki Bioorg Med Chem Lett (2016) 26: 734-738 [PMID:26776359]
ChEMBL Displacement of [3H]-NECA from Adenosine A2A receptor in Sprague-Dawley rat striatal membranes B 8.87 pKi 1.36 nM Ki Bioorg Med Chem (2015) 23: 6641-6649 [PMID:26392370]
ChEMBL Displacement of [3H]NECA from Sprague-Dawley rat striatal membrane A2A adenosine receptor by scintillation counting analysis B 8.89 pKi 1.3 nM Ki Bioorg Med Chem Lett (2020) 30: 127274-127274 [PMID:32631506]
ChEMBL Displacement of [3H]NECA from adenosine A2A receptor in Sprague-Dawley rat striatal membrane after 1 hr by scintillation counting B 8.92 pKi 1.2 nM Ki Bioorg Med Chem Lett (2016) 26: 734-738 [PMID:26776359]
ChEMBL Inhibition of [3H]ZM-241,385 binding to rat brain adenosine A2a receptor B 9.05 pKi 0.9 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 9.05 pKi 0.9 nM Ki J Med Chem (2005) 48: 2009-2018 [PMID:15771443]
A2B receptor/Adenosine A2b receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275]
ChEMBL Displacement of [3H]DPCPX from human A2BAR expressed in HEK293 cell membrane assessed as inhibition constant incubated for 30 mins by competitive binding assay B 7.18 pKi 65.7 nM Ki J Med Chem (2023) 66: 890-912 [PMID:36517209]
ChEMBL Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells after 30 mins B 7.18 pKi 65.7 nM Ki J Med Chem (2016) 59: 1967-1983 [PMID:26824742]
ChEMBL Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cell membranes after 30 mins B 7.18 pKi 65.7 nM Ki J Med Chem (2017) 60: 3372-3382 [PMID:28368607]
ChEMBL Displacement of [3H]DPCPX from human recombinant A2B receptor expressed in human HEK293 cell membranes incubated for 30 mins by radioligand binding competition assay B 7.18 pKi 65.7 nM Ki J Med Chem (2019) 62: 9315-9330 [PMID:31557025]
ChEMBL Displacement [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method B 7.18 pKi 65.7 nM Ki J Med Chem (2020) 63: 7721-7739 [PMID:32573250]
ChEMBL Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cell membranes incubated for 30 mins by scintillation counting method B 7.18 pKi 65.7 nM Ki J Med Chem (2021) 64: 458-480 [PMID:33372800]
ChEMBL Displacement of [3H]DPCPX from human A2BAR expressed in HEK293 cell membrane incubated for 30 mins by microbeta trilux scintillation counter analysis B 7.18 pKi 65.7 nM Ki J Med Chem (2022) 65: 2091-2106 [PMID:35068155]
ChEMBL Inhibition of human recombinant adenosine receptor A2b B 7.3 pKi 50 nM Ki J Med Chem (2014) 57: 3623-3650 [PMID:24164628]
ChEMBL Inhibition of human adenosine 2B receptor B 7.3 pKi 50 nM Ki J Med Chem (2020) 63: 12196-12212 [PMID:32667814]
ChEMBL Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated [3H]cAMP production by scintillation counting F 7.38 pKi 42 nM Ki J Med Chem (2009) 52: 7640-7652 [PMID:19743865]
ChEMBL Selectivity for recombinant human adenosine A2b receptor B 7.52 pKi 30 nM Ki J Med Chem (2004) 47: 4291-4299 [PMID:15294001]
ChEMBL Displacement of [3H]ZM-241385 from human A2B receptor expressed in HEK-293 cell membranes B 7.55 pKi 28 nM Ki Eur J Med Chem (2016) 108: 529-541 [PMID:26717203]
ChEMBL Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cell membrane B 7.71 pKi 19.3 nM Ki Bioorg Med Chem (2010) 18: 2081-2088 [PMID:20202853]
GtoPdb - - 8.2 pKi - - - Mol Pharmacol (1999) 56: 705-13 [PMID:10496952];
Biochem Pharmacol (2001) 61: 657-63 [PMID:11266650];
Mol Pharmacol (2000) 58: 1349-56 [PMID:11093773];
Biochem Pharmacol (2004) 68: 305-12 [PMID:15194002]
ChEMBL Displacement of PSB-12105 from recombinant human adenosine A2B receptor expressed in CHO cell membranes preincubated for 30 mins followed by PSB-12105 addition measured after 20 mins by flow cytometric method B 7.02 pIC50 94.9 nM IC50 J Med Chem (2018) 61: 4301-4316 [PMID:29681156]
ChEMBL Inverse agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins in presence of [3H]cAMP by scintillation counting method F 7.29 pIC50 51 nM IC50 Eur J Med Chem (2018) 155: 552-561 [PMID:29909340]
ChEMBL Inverse agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of cAMP accumulation measured after 150 mins in presence of [3H]cAMP by scintillation counting method F 7.32 pIC50 48 nM IC50 J Med Chem (2016) 59: 10564-10576 [PMID:27933962]
A3 receptor/Adenosine A3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8]
ChEMBL Inhibition of human recombinant adenosine A3 receptor B 5 pKi >10000 nM Ki J Med Chem (2014) 57: 3623-3650 [PMID:24164628]
ChEMBL Displacement of [3H]NECA from human A3AR expressed in human HeLa cell membrane assessed as inhibition constant incubated for 180 mins by competitive binding assay B 6.06 pKi 863 nM Ki J Med Chem (2023) 66: 890-912 [PMID:36517209]
ChEMBL Displacement of [3H]NECA from human Adenosine A3 receptor expressed in HeLa cells after 30 mins B 6.06 pKi 863 nM Ki J Med Chem (2016) 59: 1967-1983 [PMID:26824742]
ChEMBL Displacement of [3H]NECA from human A3AR expressed in HeLa cell membrane incubated for 180 mins by microbeta trilux scintillation counter analysis B 6.06 pKi 863 nM Ki J Med Chem (2022) 65: 2091-2106 [PMID:35068155]
ChEMBL Displacement of [3H]NECA from human adenosine A3 receptor expressed in human Hela cell membranes after 180 mins B 6.06 pKi 863 nM Ki J Med Chem (2017) 60: 3372-3382 [PMID:28368607]
ChEMBL Displacement of [3H]NECA from adenosine A3 receptor expressed in human HeLa cell membranes incubated for 180 mins by scintillation counting method B 6.06 pKi 863 nM Ki J Med Chem (2021) 64: 458-480 [PMID:33372800]
ChEMBL Displacement [3H]NECA from adenosine A3 receptor in human HeLa cell membranes incubated for 180 mins by scintillation counting method B 6.06 pKi 863 nM Ki J Med Chem (2020) 63: 7721-7739 [PMID:32573250]
ChEMBL Displacement of [3H]NECA from human A3 receptor expressed in human HeLa cell membranes incubated for 180 mins by radioligand binding competition assay B 6.06 pKi 863 nM Ki J Med Chem (2019) 62: 9315-9330 [PMID:31557025]
ChEMBL Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells after 90 mins by gamma counting analysis B 6.13 pKi 743 nM Ki Bioorg Med Chem Lett (2013) 23: 26-36 [PMID:23200243]
GtoPdb - - 6.13 pKi 743 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 CHO cell membranes measured after 120 mins by scintillation counting method B 6.17 pKi 683 nM Ki J Med Chem (2016) 59: 10564-10576 [PMID:27933962]
ChEMBL Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes measured after 120 mins by scintillation counting method B 6.17 pKi 674 nM Ki Eur J Med Chem (2018) 155: 552-561 [PMID:29909340]
ChEMBL Competitive binding affinity to human adenosine A3 receptor expressed in CHO cells after 90 mins by flow cytometric analysis in presence of MRS5449 B 6.52 pKi 300 nM Ki Bioorg Med Chem Lett (2013) 23: 26-36 [PMID:23200243]
D2 receptor/Dopamine D2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL217] [GtoPdb: 215] [UniProtKB: P14416]
ChEMBL Agonist activity at human dopamine D2L receptor expressed in CHO cell membranes incubated for 1 hr by [35S]GTPgammaS binding assay F 4 pEC50 >100000 nM EC50 J Med Chem (2015) 58: 718-738 [PMID:25490054]
ChEMBL Agonist activity at human dopamine D2L receptor expressed in CHO cell membranes incubated for 1 hr by [35S]GTPgammaS binding assay F 4 pEC50 >100000 nM EC50 J Med Chem (2015) 58: 718-738 [PMID:25490054]
histone deacetylase 1/Histone deacetylase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL325] [GtoPdb: 2658] [UniProtKB: Q13547]
ChEMBL Inhibition of HDAC1 (unknown origin) assessed as release of 7-amino-4-methylcoumarin incubated in room temperature for 15 min measured by Spectra max microtitre plate reader B 5 pIC50 >10000 nM IC50 J Med Chem (2021) 64: 16573-16597 [PMID:34783558]
histone deacetylase 6/Histone deacetylase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7]
ChEMBL Inhibition of HDAC6 (unknown origin) assessed as release of 7-amino-4-methylcoumarin incubated in room temperature for 15 min measured by Spectra max microtitre plate reader B 6 pIC50 >1000 nM IC50 J Med Chem (2021) 64: 16573-16597 [PMID:34783558]
σ2/Sigma intracellular receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105907] [GtoPdb: 2553] [UniProtKB: Q5BJF2]
ChEMBL PDSP Secondary Binding target: TMEM97 - Compounds are tested at 10 uM concentration, plate are incubated at room temperature in the dark for 90 minutes. Reaction are stopped by vacuum filtration onto 0.3% polyethyleneimine soaked filter mats using Filtermate harvester. Scintillation cocktail is then melted onto microwave-dried filters on a hot plate and the radio activity is counted in Microbia counter. Compounds showing a minimum of 50% inhibition at 10 uM concentration are carried forward in this secondary binding assay to determine equilibrium binding affinity. B 5.97 pKi 1067.09 nM Ki EUbOPEN Chemogenomics Library - PDSP Secondary Binding

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]