ChEMBL ligand: CHEMBL953 (Comtan, Comtess, Entacapona, Entacapone, Entacapone orion, Entacapone teva, OR-611)
Alpha-ketoglutarate-dependent dioxygenase FTO in Human [ChEMBL: CHEMBL2331065] [UniProtKB: Q9C0B1]
Catechol-O-methyltransferase/Catechol O-methyltransferase in Human [ChEMBL: CHEMBL2023] [GtoPdb: 2472] [UniProtKB: P21964] Catechol-O-methyltransferase/Catechol O-methyltransferase in Rat [ChEMBL: CHEMBL2372] [GtoPdb: 2472] [UniProtKB: P22734]
GPR35/G-protein coupled receptor 35 in Human [ChEMBL: CHEMBL1293267] [GtoPdb: 102] [UniProtKB: Q9HC97]
mitochondrial pyruvate carrier 2 in Human [GtoPdb: 3023] [UniProtKB: O95563]

DB	Assay description	Assay Type	Standard value	Standard parameter	Original value	Original units	Original parameter	Reference
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]