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ChEMBL ligand: CHEMBL953 (Comtan, Comtess, Entacapone, Entacapone orion, Entacapone teva, OR-611) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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Alpha-ketoglutarate-dependent dioxygenase FTO in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2331065] [UniProtKB: Q9C0B1] | ||||||||
ChEMBL | Inhibition of FTO (unknown origin) assessed as reduction in demethylation by measuring N6-mA and A level incubated for 2 hrs by HPLC-MS/MS analysis | B | 5.52 | pIC50 | 3000 | nM | IC50 | US-20180118665-A1. FTO inhibitors (null) |
Catechol-O-methyltransferase/Catechol O-methyltransferase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2023] [GtoPdb: 2472] [UniProtKB: P21964] | ||||||||
GtoPdb | membrane-bound enzyme | - | 8.7 | pKi | 2 | nM | Ki | Biochemistry (1995) 34: 4202-10 [PMID:7703232] |
GtoPdb | soluble enzyme | - | 9.52 | pKi | 0.3 | nM | Ki | Biochemistry (1995) 34: 4202-10 [PMID:7703232] |
ChEMBL | Inhibition of human recombinant His-tagged soluble COMT expressed in Escherichia coli BL21 using aesculetin as substrate after 60 mins by microplate assay in presence of SAM | B | 6.41 | pIC50 | 386 | nM | IC50 | J Med Chem (2016) 59: 4664-4675 [PMID:27074629] |
ChEMBL | Inhibition of COMT (unknown origin) in presence of AdoMet and Esculetin by reaction kinetic model based assay relative to control | B | 7.22 | pIC50 | 60 | nM | IC50 | US-20180118665-A1. FTO inhibitors (null) |
Catechol-O-methyltransferase/Catechol O-methyltransferase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2372] [GtoPdb: 2472] [UniProtKB: P22734] | ||||||||
ChEMBL | Inhibitory activity against COMT in rat brain | B | 4.89 | pIC50 | 12800 | nM | IC50 | J Med Chem (2005) 48: 8070-8078 [PMID:16335931] |
ChEMBL | Inhibitory activity against COMT in rat liver | B | 5.63 | pIC50 | 2320 | nM | IC50 | J Med Chem (2005) 48: 8070-8078 [PMID:16335931] |
ChEMBL | Inhibition of rat liver COMT using esculetin as substrate by fluorescence based spectrophotometry | B | 6.64 | pIC50 | 230 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 127188-127188 [PMID:32299731] |
ChEMBL | Inhibition of S-COMT in Wistar rat liver assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate and SAM measured after 5 mins by chromatographic analysis | B | 7.46 | pIC50 | 34.45 | nM | IC50 | J Med Chem (2016) 59: 7584-7597 [PMID:27463695] |
ChEMBL | Inhibition of Catechol O-methyltransferase activity in rat brain | B | 7.89 | pIC50 | 12.8 | nM | IC50 | J Med Chem (2002) 45: 685-695 [PMID:11806720] |
ChEMBL | Inhibition of MB-COMT in Wistar rat brain assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate and SAM measured after 15 mins by chromatographic analysis | B | 8.46 | pIC50 | 3.47 | nM | IC50 | J Med Chem (2016) 59: 7584-7597 [PMID:27463695] |
ChEMBL | Inhibition of MB-COMT in Wistar rat brain assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate and SAM measured after 15 mins by chromatographic analysis | B | 8.52 | pIC50 | 3.02 | nM | IC50 | J Med Chem (2016) 59: 7584-7597 [PMID:27463695] |
GPR35/G-protein coupled receptor 35 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293267] [GtoPdb: 102] [UniProtKB: Q9HC97] | ||||||||
ChEMBL | Agonist activity at GPR35 in human U2OS cells assessed as induction of beta-arrestin translocation after 5 hrs by beta-lactamase reporter gene assay | B | 4.18 | pEC50 | 65600 | nM | EC50 | Medchemcomm (2012) 3: 1270-1274 |
ChEMBL | Agonist activity at GPR35 in human HT-29 cells assessed as induction of whole cell dynamic mass redistribution after 50 mins by resonant waveguide grating biosensor analysis | B | 5.25 | pEC50 | 5660 | nM | EC50 | Medchemcomm (2012) 3: 1270-1274 |
mitochondrial pyruvate carrier 2 in Human [GtoPdb: 3023] [UniProtKB: O95563] | ||||||||
GtoPdb | - | - | 6.22 | pIC50 | 600 | nM | IC50 | Mol Metab (2022) 60: 101469 [PMID:35278701] |
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]