neostigmine [Ligand Id: 8993] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL278020 (Neostigmine)
  • Acetylcholinesterase in Torpedo californica [ChEMBL: CHEMBL4780] [UniProtKB: P04058]
  • Acetylcholinesterase in Electrophorus electricus [ChEMBL: CHEMBL4078] [UniProtKB: O42275]
  • acetylcholinesterase (Cartwright blood group)/Acetylcholinesterase in Human [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303]
  • This target only has 0 pki data point
  • 0
1 CHEMBL278020_lig_chart_1 Acetylcholinesterase Torpedo californicaElectrophorus electricusHuman
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  • butyrylcholinesterase/Butyrylcholinesterase in Human [ChEMBL: CHEMBL1914] [GtoPdb: 2471] [UniProtKB: P06276]
  • This target only has 0 pki data point
  • 0
2 CHEMBL278020_lig_chart_2 Butyrylcholinesterase Human
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  • Cholinesterase in Equus caballus [ChEMBL: CHEMBL5763] [UniProtKB: P81908]
  • This target only has 0 pki data point
  • 0
3 CHEMBL278020_lig_chart_3 Cholinesterase Equus caballus
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Acetylcholinesterase in Torpedo californica (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4780] [UniProtKB: P04058]
ChEMBL Inhibition of Torpedo californica eel AChE using acetylthiocholine/DTNB as substrate preincubated for 10 mins followed by substrate addition measured every 30 secs for 30 mins by Ellmans method B 8.34 pIC50 4.6 nM IC50 MedChemComm (2011) 2: 406-412
Acetylcholinesterase in Electrophorus electricus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4078] [UniProtKB: O42275]
ChEMBL Inhibition of electric eel AChE by Ellman's method B 4.55 pIC50 28300 nM IC50 Bioorg. Med. Chem. (2014) 22: 6163-6173 [PMID:25257911]
ChEMBL Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after 15 mins by Ellman's method B 4.66 pIC50 22000 nM IC50 Eur. J. Med. Chem. (2014) 78: 43-53 [PMID:24675179]
ChEMBL Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured after 15 mins by Ellman's method B 4.79 pIC50 16300 nM IC50 Eur J Med Chem (2019) 180: 656-672 [PMID:31352246]
ChEMBL Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after 15 mins by Ellman's method B 4.85 pIC50 14200 nM IC50 Eur. J. Med. Chem. (2014) 78: 167-177 [PMID:24681981]
acetylcholinesterase (Cartwright blood group)/Acetylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303]
ChEMBL Inhibition of AChE (unknown origin) using ACh chloride as substrate preincubated for 15 mins before substrate addition by Ellman method B 5.62 pIC50 2400 nM IC50 Bioorg. Med. Chem. Lett. (2014) 24: 3618-3621 [PMID:24909082]
GtoPdb Inhibition of ACHE activity in human serum. - 7.35 pIC50 45 nM IC50 Bioorg Med Chem (2007) 15: 7391-8 [PMID:17888667]
butyrylcholinesterase/Butyrylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1914] [GtoPdb: 2471] [UniProtKB: P06276]
ChEMBL Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after 15 mins by Ellman's method B 4.31 pIC50 49100 nM IC50 Eur. J. Med. Chem. (2014) 78: 43-53 [PMID:24675179]
ChEMBL Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins before substrate addition after 15 mins by Ellman's method B 4.58 pIC50 26100 nM IC50 Eur. J. Med. Chem. (2014) 78: 167-177 [PMID:24681981]
ChEMBL Inhibition of human BChE by Ellman's method B 4.79 pIC50 16300 nM IC50 Bioorg. Med. Chem. (2014) 22: 6163-6173 [PMID:25257911]
Cholinesterase in Equus caballus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5763] [UniProtKB: P81908]
ChEMBL Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge for 15 mins by Ellman's method B 4.3 pIC50 49600 nM IC50 Eur. J. Med. Chem. (2014) 78: 106-117 [PMID:24681070]

ChEMBL data shown on this page come from version 28:

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]