2-hexynyl-NECA [Ligand Id: 373] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL410873
  • A1 receptor in Human [GtoPdb: 18] [UniProtKB: P30542]
  • A1 receptor/Adenosine A1 receptor in Rat [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
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  • A2A receptor in Human [GtoPdb: 19] [UniProtKB: P29274]
  • A2A receptor/Adenosine A2a receptor in Rat [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
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  • A3 receptor in Human [GtoPdb: 21] [UniProtKB: P0DMS8]
  • A3 receptor/Adenosine A3 receptor in Rat [ChEMBL: CHEMBL3360] [GtoPdb: 21] [UniProtKB: P28647]
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  • A2B receptor in Human [GtoPdb: 20] [UniProtKB: P29275]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
A1 receptor in Human [GtoPdb: 18] [UniProtKB: P30542]
GtoPdb - - 7.2 pKi - - - J Med Chem (2002) 45: 3271-9 [PMID:12109910]
A1 receptor/Adenosine A1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
ChEMBL Binding affinity against low affinity component of adenosine A1 receptors from rat brain membranes using [3H]-DPCPX B 5.5 pKi 3160 nM Ki J Med Chem (1992) 35: 2363-2368 [PMID:1619615]
ChEMBL Binding affinity against adenosine A1 receptor from rat brain membranes using [3H]cyclohexyladenosine as radioligand. B 6.56 pKi 276 nM Ki J Med Chem (1992) 35: 2881-2890 [PMID:1495019]
ChEMBL Binding affinity against high affinity component of adenosine A1 receptors from rat brain membranes using [3H]DPCPX B 6.87 pKi 136 nM Ki J Med Chem (1992) 35: 2363-2368 [PMID:1619615]
ChEMBL Displacement of [3H]CHA from Adenosine A1 receptor of rat brain B 6.89 pKi 130 nM Ki J Med Chem (1996) 39: 4211-4217 [PMID:8863798]
ChEMBL Binding affinity against adenosine A1 receptor from rat brain using [3H]CHA as a radioligand. B 6.89 pKi 130 nM Ki J Med Chem (1995) 38: 1462-1472 [PMID:7739005]
ChEMBL Affinity for adenosine A1 receptor assayed in a competition assay in rat brain using [3H]-CHA as radioligand B 6.89 pKi 130 nM Ki J Med Chem (1994) 37: 1720-1726 [PMID:8201607]
ChEMBL Binding affinity to adenosine A1 receptor in rat brain membranes by measuring displacement of specific [3H]PIA as radioligand. B 6.89 pKi 130 nM Ki J Med Chem (1995) 38: 1174-1188 [PMID:7707320]
ChEMBL Binding affinity against adenosine A1 receptors from rat brain membranes using [3H]CCPA B 7.36 pKi 43.9 nM Ki J Med Chem (1992) 35: 2363-2368 [PMID:1619615]
ChEMBL Inhibition of adenylate cyclase via adenosine A1 receptors in rat fat cell membranes F 5.36 pIC50 4380 nM IC50 J Med Chem (1992) 35: 2363-2368 [PMID:1619615]
ChEMBL Functional activity against adenosine A1 receptor from rat atria. F 5 pEC50 >10000 nM EC50 J Med Chem (1995) 38: 1462-1472 [PMID:7739005]
ChEMBL Negative chronotropic activity via A1 Adenosine receptor was tested in spontaneously beating rat atria F 5 pEC50 >10000 nM EC50 J Med Chem (1994) 37: 1720-1726 [PMID:8201607]
ChEMBL Adenosine A1 receptor mediated negative chronotropic activity in spontaneously beating rat atria F 9 pEC50 >1 nM EC50 J Med Chem (1996) 39: 4211-4217 [PMID:8863798]
A2A receptor in Human [GtoPdb: 19] [UniProtKB: P29274]
GtoPdb - - 8.3 pKi - - - J Med Chem (2002) 45: 3271-9 [PMID:12109910];
Biochem Pharmacol (1999) 57: 65-75 [PMID:9920286];
Br J Pharmacol (1997) 121: 353-60 [PMID:9179373]
A2A receptor/Adenosine A2a receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
ChEMBL Displacement of [3H]-CGS- 51680 from Adenosine A2A receptor of rat striatum. B 8.66 pKi 2.2 nM Ki J Med Chem (1996) 39: 4211-4217 [PMID:8863798]
ChEMBL Binding affinity against adenosine A2a receptor from rat striatum using [3H]-CGS- 21680 as a radioligand. B 8.66 pKi 2.2 nM Ki J Med Chem (1995) 38: 1462-1472 [PMID:7739005]
ChEMBL Binding affinity to adenosine A2A receptor in rat striatal membranes by measuring displacement of specific [3H]-CGS- 21680 as radioligand B 8.66 pKi 2.2 nM Ki J Med Chem (1995) 38: 1174-1188 [PMID:7707320]
ChEMBL Vasorelaxation as Adenosine A2A receptor activity in rat aorta F 6.22 pEC50 596 nM EC50 J Med Chem (1996) 39: 4211-4217 [PMID:8863798]
ChEMBL Functional activity against adenosine A2a receptor from rat aorta. F 6.22 pEC50 596 nM EC50 J Med Chem (1995) 38: 1462-1472 [PMID:7739005]
A3 receptor in Human [GtoPdb: 21] [UniProtKB: P0DMS8]
GtoPdb - - 8.6 pKi - - - J Med Chem (2002) 45: 3271-9 [PMID:12109910]
A3 receptor/Adenosine A3 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3360] [GtoPdb: 21] [UniProtKB: P28647]
ChEMBL Binding affinity determined by displacement of specific binding of [125I]N-(4-amino-3-iodophenethyl)-adenosine in membranes of CHO cells stably transfected with the rat adenosine A3 receptor B 7.59 pKi 25.6 nM Ki J Med Chem (1995) 38: 1174-1188 [PMID:7707320]
A2B receptor in Human [GtoPdb: 20] [UniProtKB: P29275]
GtoPdb - - 6.6 pKi - - - Biochem Pharmacol (2005) 70: 1601-12 [PMID:16219300]

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]