ChEMBL ligand: CHEMBL953 (Comtan, Comtess, Entacapone, Entacapone orion, Entacapone teva, OR-611)
Alpha-ketoglutarate-dependent dioxygenase FTO in Human [ChEMBL: CHEMBL2331065] [UniProtKB: Q9C0B1] There should be some charts here, you may need to enable JavaScript!
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] There should be some charts here, you may need to enable JavaScript!
GPR35/G-protein coupled receptor 35 in Human [ChEMBL: CHEMBL1293267] [GtoPdb: 102] [UniProtKB: Q9HC97] There should be some charts here, you may need to enable JavaScript!
mitochondrial pyruvate carrier 2 in Human [GtoPdb: 3023] [UniProtKB: O95563] There should be some charts here, you may need to enable JavaScript!

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) 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]