omega-chloroacetophenone [Ligand Id: 6285] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL105712 (1-Chloroacetophenone)
  • glycogen synthase kinase 3 beta/Glycogen synthase kinase-3 beta in Human [ChEMBL: CHEMBL262] [GtoPdb: 2030] [UniProtKB: P49841]
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  • CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/CoV Non-structural protein 13/Replicase polyprotein 1ab in Severe acute respiratory syndrome coronavirus 2 [ChEMBL: CHEMBL4523582] [GtoPdb: 3125313932063261] [UniProtKB: P0DTD1]
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  • TRPA1/Transient receptor potential cation channel subfamily A member 1 in Human [ChEMBL: CHEMBL6007] [GtoPdb: 485] [UniProtKB: O75762]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
glycogen synthase kinase 3 beta/Glycogen synthase kinase-3 beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL262] [GtoPdb: 2030] [UniProtKB: P49841]
ChEMBL Inhibitory activity against glycogen synthase kinase-3 (GSK-3beta). B 4.3 pIC50 50000 nM IC50 J Med Chem (2003) 46: 4631-4633 [PMID:14561081]
ChEMBL Inhibition of GSK3-beta using GS1 as substrate and [gamma-32P]ATP after 20 mins by radiometric assay B 4.3 pIC50 50000 nM IC50 J Med Chem (2011) 54: 4042-4056 [PMID:21500862]
ChEMBL Inhibition of glycogen synthase kinase-3 beta (unknown origin) using GS-1 as substrate after 20 mins by scintillation counting analysis in presence of [gamma-32P]-ATP B 4.3 pIC50 50000 nM IC50 Eur J Med Chem (2016) 107: 63-81 [PMID:26562543]
CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/CoV Non-structural protein 13/Replicase polyprotein 1ab in Severe acute respiratory syndrome coronavirus 2 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523582] [GtoPdb: 3125313932063261] [UniProtKB: P0DTD1]
ChEMBL SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate F 6.72 pIC50 190 nM IC50 Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen
TRPA1/Transient receptor potential cation channel subfamily A member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6007] [GtoPdb: 485] [UniProtKB: O75762]
GtoPdb Calcium imaging - 6.6 pEC50 - - - Toxicol Appl Pharmacol (2008) 231: 150-6 [PMID:18501939]
ChEMBL Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase of intracellular calcium level by FDSS assay F 7.52 pEC50 30 nM EC50 J Med Chem (2010) 53: 7011-7020 [PMID:20806939]

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]