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 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]