A-85380 [Ligand Id: 5460] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL59986 (A-85380)
  • nicotinic acetylcholine receptor α1 subunit/nicotinic acetylcholine receptor γ subunit/nicotinic acetylcholine receptor β1 subunit/nicotinic acetylcholine receptor δ subunit/Acetylcholine receptor; alpha1/beta1/delta/gamma in Human [ChEMBL: CHEMBL1907588] [GtoPdb: 462475471476] [UniProtKB: P02708P07510P11230Q07001]
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  • Acetylcholine receptor protein alpha chain in Torpedo californica [ChEMBL: CHEMBL3097] [UniProtKB: P02710]
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  • nicotinic acetylcholine receptor α3 subunit/nicotinic acetylcholine receptor α4 subunit/nicotinic acetylcholine receptor α2 subunit/nicotinic acetylcholine receptor β2 subunit/nicotinic acetylcholine receptor β3 subunit/nicotinic acetylcholine receptor β4 subunit/nicotinic acetylcholine receptor α5 subunit/nicotinic acetylcholine receptor α6 subunit/nicotinic acetylcholine receptor α9 subunit/nicotinic acetylcholine receptor α7 subunit/nicotinic acetylcholine receptor α10 subunit/Neuronal acetylcholine receptor in Rat [ChEMBL: CHEMBL2094110] [GtoPdb: 464465463472473474466467469468470] [UniProtKB: P04757P09483P12389P12390P12391P12392P20420P43143P43144Q05941Q9JLB5]
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  • nicotinic acetylcholine receptor α2 subunit/nicotinic acetylcholine receptor β2 subunit/Neuronal acetylcholine receptor; alpha2/beta2 in Rat [ChEMBL: CHEMBL1907592] [GtoPdb: 463472] [UniProtKB: P12389P12390]
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  • nicotinic acetylcholine receptor α3 subunit/nicotinic acetylcholine receptor β2 subunit/Neuronal acetylcholine receptor; alpha3/beta2 in Rat [ChEMBL: CHEMBL1907587] [GtoPdb: 464472] [UniProtKB: P04757P12390]
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  • nicotinic acetylcholine receptor β4 subunit/nicotinic acetylcholine receptor α3 subunit/Neuronal acetylcholine receptor; alpha3/beta4 in Human [ChEMBL: CHEMBL1907594] [GtoPdb: 474464] [UniProtKB: P30926P32297]
  • nicotinic acetylcholine receptor α3 subunit/nicotinic acetylcholine receptor β4 subunit/Neuronal acetylcholine receptor; alpha3/beta4 in Rat [ChEMBL: CHEMBL1907593] [GtoPdb: 464474] [UniProtKB: P04757P12392]
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  • nicotinic acetylcholine receptor β2 subunit/nicotinic acetylcholine receptor α4 subunit/Neuronal acetylcholine receptor; alpha4/beta2 in Human [ChEMBL: CHEMBL1907589] [GtoPdb: 472465] [UniProtKB: P17787P43681]
  • nicotinic acetylcholine receptor α4 subunit/nicotinic acetylcholine receptor β2 subunit/Neuronal acetylcholine receptor; alpha4/beta2 in Rat [ChEMBL: CHEMBL1907596] [GtoPdb: 465472] [UniProtKB: P09483P12390]
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  • nicotinic acetylcholine receptor α4 subunit/nicotinic acetylcholine receptor β4 subunit/Neuronal acetylcholine receptor; alpha4/beta4 in Rat [ChEMBL: CHEMBL1907595] [GtoPdb: 465474] [UniProtKB: P09483P12392]
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  • nicotinic acetylcholine receptor α7 subunit/Neuronal acetylcholine receptor protein alpha-7 subunit in Human [ChEMBL: CHEMBL2492] [GtoPdb: 468] [UniProtKB: P36544]
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  • nicotinic acetylcholine receptor α3 subunit/Neuronal acetylcholine receptor subunit alpha-3 in Human [ChEMBL: CHEMBL3068] [GtoPdb: 464] [UniProtKB: P32297]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
nicotinic acetylcholine receptor α1 subunit/nicotinic acetylcholine receptor γ subunit/nicotinic acetylcholine receptor β1 subunit/nicotinic acetylcholine receptor δ subunit/Acetylcholine receptor; alpha1/beta1/delta/gamma in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907588] [GtoPdb: 462475471476] [UniProtKB: P02708P07510P11230Q07001]
ChEMBL Binding affinity to muscle type alpha1beta1gammadelta-nAChR B 6.5 pKi 314 nM Ki J. Med. Chem. (2012) 55: 9998-10009 [PMID:23092294]
ChEMBL Antagonist activity at human alpha1beta1gammadelta nAChR B 6.5 pKi 314 nM Ki J. Med. Chem. (2014) 57: 8204-8223 [PMID:24901260]
Acetylcholine receptor protein alpha chain in Torpedo californica (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3097] [UniProtKB: P02710]
ChEMBL Compound was evaluated for its ability to displace [125 I]alpha-bungarotoxin (alpha-BgT) from torpedo alpha1-beta1-gamma1 electroplax B 6.5 pKi 314 nM Ki J. Med. Chem. (1998) 41: 407-412 [PMID:9484491]
nicotinic acetylcholine receptor α3 subunit/nicotinic acetylcholine receptor α4 subunit/nicotinic acetylcholine receptor α2 subunit/nicotinic acetylcholine receptor β2 subunit/nicotinic acetylcholine receptor β3 subunit/nicotinic acetylcholine receptor β4 subunit/nicotinic acetylcholine receptor α5 subunit/nicotinic acetylcholine receptor α6 subunit/nicotinic acetylcholine receptor α9 subunit/nicotinic acetylcholine receptor α7 subunit/nicotinic acetylcholine receptor α10 subunit/Neuronal acetylcholine receptor in Rat (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL2094110] [GtoPdb: 464465463472473474466467469468470] [UniProtKB: P04757P09483P12389P12390P12391P12392P20420P43143P43144Q05941Q9JLB5]
ChEMBL Compound was evaluated for its ability to displace [3H]-cytisine binding from high-affinity Nicotinic acetylcholine receptor in rat brain (principally the alpha4-beta2 nAChR subtype) B 9.28 pKi 0.52 nM Ki J. Med. Chem. (1998) 41: 407-412 [PMID:9484491]
ChEMBL Binding affinity towards rat forebrain nicotinic acetylcholine receptor using [3H]EB as radioligand B 9.66 pKi 0.22 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 1845-1848 [PMID:15050613]
ChEMBL Binding affinity against Nicotinic Acetylcholine Receptor was determined by measuring the displacement of [3H]cytisine from a preparation of whole rat brain. B 10.28 pKi 0.05 nM Ki J. Med. Chem. (1996) 39: 817-825 [PMID:8632405]
ChEMBL Binding affinity towards nicotinic acetylcholine receptor using [3H]nicotine as radioligand in rat brain homogenates B 10.3 pKi 0.05 nM Ki Bioorg. Med. Chem. Lett. (2002) 12: 1989-1992 [PMID:12113825]
nicotinic acetylcholine receptor α2 subunit/nicotinic acetylcholine receptor β2 subunit/Neuronal acetylcholine receptor; alpha2/beta2 in Rat (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907592] [GtoPdb: 463472] [UniProtKB: P12389P12390]
ChEMBL Binding affinity towards rat nicotinic acetylcholine receptor alpha2-beta2 expressed in HEK293 cells using [3H]EB as radioligand B 10.13 pKi 0.07 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 1845-1848 [PMID:15050613]
nicotinic acetylcholine receptor α3 subunit/nicotinic acetylcholine receptor β2 subunit/Neuronal acetylcholine receptor; alpha3/beta2 in Rat (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907587] [GtoPdb: 464472] [UniProtKB: P04757P12390]
ChEMBL Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in HEK293 cells using [3H]EB as radioligand B 9.62 pKi 0.24 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 1845-1848 [PMID:15050613]
nicotinic acetylcholine receptor β4 subunit/nicotinic acetylcholine receptor α3 subunit/Neuronal acetylcholine receptor; alpha3/beta4 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907594] [GtoPdb: 474464] [UniProtKB: P30926P32297]
ChEMBL Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor subtype IMR-32 (ganglionic) B 6.15 pEC50 700 nM EC50 J. Med. Chem. (1997) 40: 4169-4194 [PMID:9435889]
nicotinic acetylcholine receptor α3 subunit/nicotinic acetylcholine receptor β4 subunit/Neuronal acetylcholine receptor; alpha3/beta4 in Rat (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907593] [GtoPdb: 464474] [UniProtKB: P04757P12392]
ChEMBL Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta4 expressed in HEK293 cells using [3H]EB as radioligand B 7.14 pKi 72 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 1845-1848 [PMID:15050613]
nicotinic acetylcholine receptor β2 subunit/nicotinic acetylcholine receptor α4 subunit/Neuronal acetylcholine receptor; alpha4/beta2 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907589] [GtoPdb: 472465] [UniProtKB: P17787P43681]
ChEMBL Agonist activity at alpha4beta2 nAChR (unknown origin) B 10.28 pKi 0.05 nM Ki J. Med. Chem. (2014) 57: 3966-3983 [PMID:24814197]
ChEMBL Binding affinity against human Nicotinic acetylcholine receptor alpha4-beta2 B 10.3 pKi 0.05 nM Ki J. Med. Chem. (1999) 42: 2251-2259 [PMID:10377231]
ChEMBL Compound was evaluated for its ability to displace [3H]cytisine from K177 cells expressing human Nicotinic acetylcholine receptor alpha4-beta2 B 10.4 pKi 0.04 nM Ki J. Med. Chem. (1998) 41: 407-412 [PMID:9484491]
ChEMBL Binding affinity to alpha4beta2 nAChR in human brain B 10.4 pKi 0.04 nM Ki J. Med. Chem. (2012) 55: 9998-10009 [PMID:23092294]
ChEMBL Inhibition of alpha4beta2 nicotinic acetylcholine receptor (unknown origin) B 10.4 pKi 0.04 nM Ki Med Chem Res (2005) 14: 241-259
ChEMBL Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in HEK293 cells B 8.82 pIC50 1.51 nM IC50 J. Med. Chem. (2009) 52: 2311-2316 [PMID:19301898]
ChEMBL Agonist activity at human alpha4beta2 nAChR expressed in HEK293 cells assessed as intracellular calcium level by FLIPR assay F 6.15 pEC50 707.95 nM EC50 J. Med. Chem. (2009) 52: 2311-2316 [PMID:19301898]
ChEMBL Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor alpha4-beta2 B 6.15 pEC50 700 nM EC50 J. Med. Chem. (1997) 40: 4169-4194 [PMID:9435889]
ChEMBL Agonist activity at human alpha4beta2 nAChR F 6.15 pEC50 700 nM EC50 J. Med. Chem. (2012) 55: 9998-10009 [PMID:23092294]
ChEMBL Agonist activity at human alpha4beta2 nAChR B 6.15 pEC50 700 nM EC50 J. Med. Chem. (2014) 57: 8204-8223 [PMID:24901260]
nicotinic acetylcholine receptor α4 subunit/nicotinic acetylcholine receptor β2 subunit/Neuronal acetylcholine receptor; alpha4/beta2 in Rat (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907596] [GtoPdb: 465472] [UniProtKB: P09483P12390]
ChEMBL Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK293 cells using [3H]EB as radioligand B 9.85 pKi 0.14 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 1845-1848 [PMID:15050613]
ChEMBL Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand B 10.28 pKi 0.05 nM Ki Bioorg. Med. Chem. Lett. (1998) 8: 2797-2802 [PMID:9873625]
ChEMBL Displacement of [3H]epibatidine from rat alpha4beta2 nACHR B 10.3 pKi 0.05 nM Ki J. Med. Chem. (2012) 55: 812-823 [PMID:22148173]
ChEMBL Binding affinity to alpha4beta2 nAChR in rat brain B 10.3 pKi 0.05 nM Ki J. Med. Chem. (2012) 55: 9998-10009 [PMID:23092294]
ChEMBL Binding affinity for alpha4 beta-2 nAChR using [3H]epibatidine in rat brain B 10.77 pKi 0.02 nM Ki J. Med. Chem. (1998) 41: 3690-3698 [PMID:9733494]
ChEMBL In vitro binding affinity for Nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortical membrane using [3H]cytisine as radioligand B 8.82 pIC50 1.5 nM IC50 J. Med. Chem. (2000) 43: 2217-2226 [PMID:10841800]
nicotinic acetylcholine receptor α4 subunit/nicotinic acetylcholine receptor β4 subunit/Neuronal acetylcholine receptor; alpha4/beta4 in Rat (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907595] [GtoPdb: 465474] [UniProtKB: P09483P12392]
ChEMBL Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta4 expressed in HEK293 cells using [3H]EB as radioligand B 8.15 pKi 7.1 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 1845-1848 [PMID:15050613]
nicotinic acetylcholine receptor α7 subunit/Neuronal acetylcholine receptor protein alpha-7 subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2492] [GtoPdb: 468] [UniProtKB: P36544]
ChEMBL Compound was evaluated for its ability to displace [125I]alpha-bungarotoxin (alpha-BgT) from K28 cells expressing human Nicotinic acetylcholine receptor alpha7 B 6.83 pKi 148 nM Ki J. Med. Chem. (1998) 41: 407-412 [PMID:9484491]
ChEMBL Binding affinity against human Nicotinic acetylcholine receptor alpha-7 was determined B 6.83 pKi 148 nM Ki J. Med. Chem. (1999) 42: 2251-2259 [PMID:10377231]
ChEMBL Binding affinity to human alpha7 nAChR in human brain B 6.83 pKi 148 nM Ki J. Med. Chem. (2012) 55: 9998-10009 [PMID:23092294]
ChEMBL Agonist activity at alpha7 nAChR (unknown origin) B 6.83 pKi 148 nM Ki J. Med. Chem. (2014) 57: 3966-3983 [PMID:24814197]
ChEMBL Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor alpha7 B 5.05 pEC50 8900 nM EC50 J. Med. Chem. (1997) 40: 4169-4194 [PMID:9435889]
ChEMBL Compound was evaluated for functional activation from channel currents at human Nicotinic acetylcholine receptor alpha-7 expressed in oocytes. F 5.05 pEC50 8900 nM EC50 J. Med. Chem. (1998) 41: 407-412 [PMID:9484491]
ChEMBL Agonist activity at human alpha7 nAChR F 5.05 pEC50 8900 nM EC50 J. Med. Chem. (2012) 55: 9998-10009 [PMID:23092294]
nicotinic acetylcholine receptor α3 subunit/Neuronal acetylcholine receptor subunit alpha-3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3068] [GtoPdb: 464] [UniProtKB: P32297]
ChEMBL Functional activation of human sympathetic ganglionic type nAChRs in IMR-32 cells containing alpha-3 subtype F 6.15 pEC50 700 nM EC50 J. Med. Chem. (1998) 41: 407-412 [PMID:9484491]

ChEMBL data shown on this page come from version 27:

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]