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] There should be some charts here, you may need to enable JavaScript!
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] There should be some charts here, you may need to enable JavaScript!
A2B receptor/Adenosine A2b receptor in Human [ChEMBL: CHEMBL255] [GtoPdb: 20] [UniProtKB: P29275] There should be some charts here, you may need to enable JavaScript!
A3 receptor/Adenosine A3 receptor in Human [ChEMBL: CHEMBL256] [GtoPdb: 21] [UniProtKB: P0DMS8] There should be some charts here, you may need to enable JavaScript!
D2 receptor/Dopamine D2 receptor in Human [ChEMBL: CHEMBL217] [GtoPdb: 215] [UniProtKB: P14416] There should be some charts here, you may need to enable JavaScript!
histone deacetylase 1/Histone deacetylase 1 in Human [ChEMBL: CHEMBL325] [GtoPdb: 2658] [UniProtKB: Q13547] There should be some charts here, you may need to enable JavaScript!
histone deacetylase 6/Histone deacetylase 6 in Human [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7] 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 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 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 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 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 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 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 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	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]
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]
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	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 [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]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	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 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]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 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]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	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 by scintillation spectroscopy	B	8.8	pKi	1.6	nM	Ki	J Med Chem (2016) 59: 788-809 [PMID:26356532]
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	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 [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	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	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 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	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	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 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 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 [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 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 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 [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]

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]