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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) demethylation activity | B | 5.46 | pIC50 | 3500 | nM | IC50 | J Med Chem (2021) 64: 16974-17003 [PMID:34792334] |
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 (2018) |
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 (2018) |
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 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]