bradanicline [Ligand Id: 3969] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1258006 (ATA-101, Bradaniclina, Bradanicline, TC 5619, TC-5619)
  • Acetylcholine-binding protein in Lymnaea stagnalis [ChEMBL: CHEMBL6084] [UniProtKB: P58154]
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  • nicotinic acetylcholine receptor β2 subunit/nicotinic acetylcholine receptor α4 subunit/Neuronal acetylcholine receptor; alpha4/beta2 in Human [ChEMBL: CHEMBL1907589] [GtoPdb: 472, 465] [UniProtKB: P17787, P43681]
  • nicotinic acetylcholine receptor α4 subunit/nicotinic acetylcholine receptor β2 subunit/Neuronal acetylcholine receptor; alpha4/beta2 in Rat [ChEMBL: CHEMBL1907596] [GtoPdb: 465, 472] [UniProtKB: P09483, P12390]
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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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  • 5-HT3A/Serotonin 3a (5-HT3a) receptor in Human [ChEMBL: CHEMBL1899] [GtoPdb: 373] [UniProtKB: P46098]
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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 Binding affinity to Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system by surface plasmon resonance biosensor assay B 7.7 pKd 19.95 nM Kd J Med Chem (2010) 53: 7192-7201 [PMID:20828128]
ChEMBL Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system B 7.84 pKi 14.45 nM Ki J Med Chem (2010) 53: 7192-7201 [PMID:20828128]
Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809]
ChEMBL Inhibition of human ERG expressed in CHO cells by whole cell voltage clamp assay B 4.27 pIC50 54000 nM IC50 J Med Chem (2012) 55: 9793-9809 [PMID:23126648]
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]nicotine human alpha4beta2 nAChR in SH-EP1 cell membranes B 5.77 pKi 1700 nM Ki J Med Chem (2012) 55: 9793-9809 [PMID:23126648]
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]nicotine alpha4beta2 nAChR in rat cortical membranes B 5.68 pKi 2100 nM Ki J Med Chem (2012) 55: 9793-9809 [PMID:23126648]
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 [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells B 8.56 pKi 2.75 nM Ki J Med Chem (2010) 53: 7192-7201 [PMID:20828128]
ChEMBL Binding affinity to human alpha7 nAChR expressed in HEK293 cells co-expressing RIC3 cDNA B 9 pKi 1 nM Ki J Med Chem (2011) 54: 7943-7961 [PMID:21919481]
ChEMBL Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells B 9 pKi 1 nM Ki J Med Chem (2012) 55: 9793-9809 [PMID:23126648]
ChEMBL Agonist activity at human alpha7 nAChR expressed in Xenopus oocyte F 7.48 pEC50 33 nM EC50 J Med Chem (2011) 54: 7943-7961 [PMID:21919481]
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 Binding affinity to alpha7 nAChR in rat hippocampal membranes B 9 pKi 1 nM Ki J Med Chem (2011) 54: 7943-7961 [PMID:21919481]
ChEMBL Displacement of [3H]methyllycaconitine form alpha7 nAchR in rat hippocampal membranes B 9.38 pKi 0.42 nM Ki J Med Chem (2012) 55: 9793-9809 [PMID:23126648]
ChEMBL Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay F 7.77 pEC50 17 nM EC50 J Med Chem (2012) 55: 9793-9809 [PMID:23126648]
5-HT3A/Serotonin 3a (5-HT3a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1899] [GtoPdb: 373] [UniProtKB: P46098]
ChEMBL Inhibition of human 5HT3R B 5 pKi >10000 nM Ki J Med Chem (2012) 55: 9793-9809 [PMID:23126648]

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]