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ChEMBL ligand: CHEMBL105712 (1-Chloroacetophenone) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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: 3125, 3139, 3206, 3261] [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]