toluene [Ligand Id: 5481] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL9113 (Antisal 1a, Methacide, NSC-406333, Toluene)
  • acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303]
ChEMBL IC50 against acetylcholinesterase; value ranges from 1-4900 nM. B 5.31 pIC50 4900 nM IC50 J Med Chem (1992) 35: 584-589 [PMID:1738151]
ChEMBL Inhibition of acetylcholinesterase. B 8.28 pIC50 5.25 nM IC50 J Med Chem (1992) 35: 584-589 [PMID:1738151]
Lysozyme in Enterobacteria phage T4 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5206] [UniProtKB: P00720]
ChEMBL Binding affinity to Enterobacteria phage T4 lysozyme L99A/M102E double mutant expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry B 4.15 pKd 71000 nM Kd J Med Chem (2013) 56: 2874-2884 [PMID:23473072]

ChEMBL data shown on this page come from version 33:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]