ChEMBL ligand: CHEMBL4597193 (Valemetostat)
enhancer of zeste 1 polycomb repressive complex 2 subunit/Histone-lysine N-methyltransferase EZH1 in Human [ChEMBL: CHEMBL2189116] [GtoPdb: 2835] [UniProtKB: Q92800] There should be some charts here, you may need to enable JavaScript!
enhancer of zeste 2 polycomb repressive complex 2 subunit/Histone-lysine N-methyltransferase EZH2 in Human [ChEMBL: CHEMBL2189110] [GtoPdb: 2654] [UniProtKB: Q15910] 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
enhancer of zeste 1 polycomb repressive complex 2 subunit/Histone-lysine N-methyltransferase EZH1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2189116] [GtoPdb: 2835] [UniProtKB: Q92800]
ChEMBL	Inhibitory Activity Assay: The inhibitory activity of the synthesized compounds above against EZH1 or EZH2 methyltransferase was measured. The experiments were consigned to Reaction Biology, and EZH1 or EZH2 activity was measured using a radiometric scintillation proximity assay. To measure the IC50 of the synthesized compounds for EZH1 or EZH2, 2.3 nmol/L EZH1 or EZH2, 1 μmol/L histone H3 (21-44)-lys(biotin), 1.5 μmol/L S-adenyl methionine (SAM), and 500 nmol/L 3H-SAM were added to the compounds or DMSO with a buffer solution and reacted for 90 minutes at room temperature. The buffer solution was comprised of 50 mmol/L Tris-HCl pH 8.0, 50 mmol/L NaCl, 1 mmol/L EDTA, 1 mmoL/L DTT, 1 mmol/L PMSF and 1% DMSO. Trichloroacetic acid was added to end the reaction, and SPA beads coated with PVT streptavidin were added followed by 1 hour reaction at room temperature. A TopCount NXT plate reader was used to measure the methylation value of the substrate peptide. The measured values were converted to percent activity, setting the mean value for wells treated with DMSO as 100% and the background mean value as 0%.	B	7.5	pIC50	31.5	nM	IC50	US-11535629-B2. Dioxoloisoquinolinone derivatives and use thereof (2022)
ChEMBL	Inhibition of wildtype EZH1 (unknown origin)	B	7.64	pIC50	23	nM	IC50	Eur J Med Chem (2023) 256: 115461-115461 [PMID:37156182]
GtoPdb	-	-	7.8	pIC50	16	nM	IC50	Cancer Sci (2017) 108: 2069-2078 [PMID:28741798]
ChEMBL	Inhibition of human EZH1 by radiometric analysis	B	8.08	pIC50	8.4	nM	IC50	Eur J Med Chem (2023) 256: 115461-115461 [PMID:37156182]
ChEMBL	Inhibition of EZH1 (unknown origin)	B	9.36	pIC50	0.44	nM	IC50	J Med Chem (2022) 65: 7016-7043 [PMID:35531606]
enhancer of zeste 2 polycomb repressive complex 2 subunit/Histone-lysine N-methyltransferase EZH2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2189110] [GtoPdb: 2654] [UniProtKB: Q15910]
ChEMBL	Inhibition of EZH2 (unknown origin)	B	7.8	pIC50	16	nM	IC50	Eur J Med Chem (2023) 256: 115461-115461 [PMID:37156182]
ChEMBL	Inhibition of EZH2 (unknown origin) assessed as reduction in H3K27me3 level	B	8.08	pIC50	8.4	nM	IC50	J Med Chem (2022) 65: 7016-7043 [PMID:35531606]
GtoPdb	-	-	8.29	pIC50	5.1	nM	IC50	Cancer Sci (2017) 108: 2069-2078 [PMID:28741798]
ChEMBL	Inhibition of human EZH2 using Core Histone and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay	B	8.29	pIC50	5.08	nM	IC50	Cancer Sci (2017) 108: 2069-2078 [PMID:28741798]
ChEMBL	Inhibition of human EZH2 Y641F mutant using Core Histone and [3H]SAM as substrate incubated for 30 mins to 1 hr by HotSpot kinase assay	B	8.29	pIC50	5.08	nM	IC50	Cancer Sci (2017) 108: 2069-2078 [PMID:28741798]
ChEMBL	Inhibition of wild type EZH2 (unknown origin) by AlphaLISA assay	B	8.6	pIC50	2.5	nM	IC50	Eur J Med Chem (2023) 256: 115461-115461 [PMID:37156182]
ChEMBL	Inhibition of EZH2 (unknown origin)	B	8.6	pIC50	2.5	nM	IC50	J Med Chem (2022) 65: 7016-7043 [PMID:35531606]
ChEMBL	Inhibitory Activity Assay: The inhibitory activity of the synthesized compounds above against EZH1 or EZH2 methyltransferase was measured. The experiments were consigned to Reaction Biology, and EZH1 or EZH2 activity was measured using a radiometric scintillation proximity assay. To measure the IC50 of the synthesized compounds for EZH1 or EZH2, 2.3 nmol/L EZH1 or EZH2, 1 μmol/L histone H3 (21-44)-lys(biotin), 1.5 μmol/L S-adenyl methionine (SAM), and 500 nmol/L 3H-SAM were added to the compounds or DMSO with a buffer solution and reacted for 90 minutes at room temperature. The buffer solution was comprised of 50 mmol/L Tris-HCl pH 8.0, 50 mmol/L NaCl, 1 mmol/L EDTA, 1 mmoL/L DTT, 1 mmol/L PMSF and 1% DMSO. Trichloroacetic acid was added to end the reaction, and SPA beads coated with PVT streptavidin were added followed by 1 hour reaction at room temperature. A TopCount NXT plate reader was used to measure the methylation value of the substrate peptide. The measured values were converted to percent activity, setting the mean value for wells treated with DMSO as 100% and the background mean value as 0%.	B	8.87	pIC50	1.36	nM	IC50	US-11535629-B2. Dioxoloisoquinolinone derivatives and use thereof (2022)

ChEMBL data shown on this page come from version 36:

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]