GTS-21 [Ligand Id: 11384] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL134713 (3-(2,4-Dimethoxybenzylidene)Anabaseine, Dimethoxybenzylidene anabaseine, Dmxb-a, Gts-21)
  • Acetylcholine-binding protein in Lymnaea stagnalis [ChEMBL: CHEMBL6084] [UniProtKB: P58154]
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  • 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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  • nicotinic acetylcholine receptor β4 subunit/nicotinic acetylcholine receptor α3 subunit/Neuronal acetylcholine receptor; alpha3/beta4 in Human [ChEMBL: CHEMBL1907594] [GtoPdb: 474464] [UniProtKB: P30926P32297]
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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 β4 subunit/nicotinic acetylcholine receptor α4 subunit/Neuronal acetylcholine receptor; alpha4/beta4 in Human [ChEMBL: CHEMBL1907591] [GtoPdb: 474465] [UniProtKB: P30926P43681]
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  • nicotinic acetylcholine receptor α7 subunit/Neuronal acetylcholine receptor protein alpha-7 subunit in Human [ChEMBL: CHEMBL2492] [GtoPdb: 468] [UniProtKB: P36544]
  • nicotinic acetylcholine receptor α7 subunit/Neuronal acetylcholine receptor protein alpha-7 subunit in Rat [ChEMBL: CHEMBL4980] [GtoPdb: 468] [UniProtKB: Q05941]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Acetylcholine-binding protein in Lymnaea stagnalis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6084] [UniProtKB: P58154]
ChEMBL Displacement of [3H]-epibatidine from Lymnaea stagnalis N-terminal FLAG-tagged AChBP expressed in HEK293 cells after 2 hrs by liquid scintillation counting B 7.72 pKd 19 nM Kd Eur. J. Med. Chem. (2011) 46: 5625-5635 [PMID:21986237]
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 Displacement of [3H]-epibatidine from alpha1betagammadelta nAChR in human TE671 cellular membranes after 2 hrs by liquid scintillation counting B 5.41 pKi 3900 nM Ki Eur. J. Med. Chem. (2011) 46: 5625-5635 [PMID:21986237]
ChEMBL Displacement of [3H]epibatidine from human alpha1/beta/gamma/delta nAchR expressed in TE-671 cell membrane B 5.41 pKi 3900 nM Ki Bioorg. Med. Chem. Lett. (2012) 22: 1179-1186 [PMID:22177081]
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 Displacement of [3H]-epibatidine from alpha3beta4 nAChR in human SH-SY5Y cellular membranes after 2 hrs by liquid scintillation counting B 5.6 pKi 2500 nM Ki Eur. J. Med. Chem. (2011) 46: 5625-5635 [PMID:21986237]
ChEMBL Displacement of [3H]epibatidine from human alpha3beta4 nAchR expressed in SH-SY5Y cells B 5.6 pKi 2500 nM Ki Bioorg. Med. Chem. Lett. (2012) 22: 1179-1186 [PMID:22177081]
ChEMBL Effective concentration against Nicotinic acetylcholine receptor alpha3-beta4 B 5 pEC50 >10000 nM EC50 J. Med. Chem. (2005) 48: 4705-4745 [PMID:16033252]
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 Displacement of [3H]epibatidine from human alpha4beta2 nAchR expressed in SH-EP1 cells B 7.29 pKi 51 nM Ki Bioorg. Med. Chem. Lett. (2012) 22: 1179-1186 [PMID:22177081]
ChEMBL Effective concentration against Nicotinic acetylcholine receptor alpha4-beta2 B 5 pEC50 >10000 nM EC50 J. Med. Chem. (2005) 48: 4705-4745 [PMID:16033252]
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 Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane after 3 hrs B 0.6 pKi 0.6 uM pKi Eur. J. Med. Chem. (2010) 45: 2433-2446 [PMID:20236734]
ChEMBL Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane after 3 hrs B 6.6 pKi 250 nM Ki Eur. J. Med. Chem. (2010) 45: 2433-2446 [PMID:20236734]
ChEMBL Inhibition of [3H]cytisine binding to nicotinic acetylcholine receptor alpha4-beta2 from rat cerebral cortex B 7.08 pKi 84 nM Ki J. Med. Chem. (2005) 48: 2678-2686 [PMID:15801858]
ChEMBL Displacement of [3H]-epibatidine from alpha4beta2 nAChR in rat cortical membranes after 2 hrs by liquid scintillation counting B 7.29 pKi 51 nM Ki Eur. J. Med. Chem. (2011) 46: 5625-5635 [PMID:21986237]
nicotinic acetylcholine receptor β4 subunit/nicotinic acetylcholine receptor α4 subunit/Neuronal acetylcholine receptor; alpha4/beta4 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907591] [GtoPdb: 474465] [UniProtKB: P30926P43681]
ChEMBL Effective concentration against Nicotinic acetylcholine receptor alpha4-beta4 B 5 pEC50 >10000 nM EC50 J. Med. Chem. (2005) 48: 4705-4745 [PMID:16033252]
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 Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR B 6.8 pKd 158 nM Kd J. Med. Chem. (2008) 51: 6293-6302 [PMID:18826295]
ChEMBL Partial agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes incubated for 90 secs followed by washout period for 5 mins by electrophysiological method B 5.22 pEC50 6000 nM EC50 Eur J Med Chem (2018) 160: 37-48 [PMID:30317024]
ChEMBL Agonist activity at human recombinant alpha7 nAChR expressed in rat GH3 cells by calcium influx assay F 5.7 pEC50 1995.26 nM EC50 Bioorg. Med. Chem. Lett. (2009) 19: 1287-1291 [PMID:19208472]
nicotinic acetylcholine receptor α7 subunit/Neuronal acetylcholine receptor protein alpha-7 subunit in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4980] [GtoPdb: 468] [UniProtKB: Q05941]
ChEMBL Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in rat brain membrane after 3 hrs B 0.89 pKi 0.89 uM pKi Eur. J. Med. Chem. (2010) 45: 2433-2446 [PMID:20236734]
ChEMBL Displacement of [3H]-methyllycaconitine from alpha7 nAChR in rat hippocampal membranes after 2 hrs by liquid scintillation counting B 5.89 pKi 1300 nM Ki Eur. J. Med. Chem. (2011) 46: 5625-5635 [PMID:21986237]
ChEMBL Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7 B 6.66 pKi 220 nM Ki J. Med. Chem. (2005) 48: 2678-2686 [PMID:15801858]
GtoPdb Inhibition of [125I]alpha-bungarotoxin binding to rat α nAChR - 6.66 pKi 220 nM Ki J Med Chem (2005) 48: 2678-86 [PMID:15801858]
ChEMBL Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in rat brain membrane after 3 hrs B 6.89 pKi 130 nM Ki Eur. J. Med. Chem. (2010) 45: 2433-2446 [PMID:20236734]

ChEMBL data shown on this page come from version 31:

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]