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) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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| 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: 462, 475, 471, 476] [UniProtKB: P02708, P07510, P11230, Q07001] | ||||||||
| 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: 474, 464] [UniProtKB: P30926, P32297] | ||||||||
| 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: 472, 465] [UniProtKB: P17787, P43681] | ||||||||
| 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: 465, 472] [UniProtKB: P09483, P12390] | ||||||||
| 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: 474, 465] [UniProtKB: P30926, P43681] | ||||||||
| 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]
