ChEMBL ligand: CHEMBL3798741
SET and MYND domain containing 3/Histone-lysine N-methyltransferase SMYD3 in Human [ChEMBL: CHEMBL2321643] [GtoPdb: 3313] [UniProtKB: Q9H7B4] There should be some charts here, you may need to enable JavaScript!
SET and MYND domain containing 2/N-lysine methyltransferase SMYD2 in Human [ChEMBL: CHEMBL2169716] [GtoPdb: 2714] [UniProtKB: Q9NRG4] 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
SET and MYND domain containing 3/Histone-lysine N-methyltransferase SMYD3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2321643] [GtoPdb: 3313] [UniProtKB: Q9H7B4]
ChEMBL	Non-competitive inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using fixed N-terminal GST-tagged MEKK2 substrate and varying SAM levels preincubated for 30 mins followed by substrate addition by filter plate assay	B	8.92	pKi	1.2	nM	Ki	ACS Med Chem Lett (2016) 7: 134-138 [PMID:26985287]
ChEMBL	Non-competitive inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using varying N-terminal GST-tagged MEKK2 substrate and fixed SAM levels preincubated for 30 mins followed by substrate addition by filter plate assay	B	8.96	pKi	1.1	nM	Ki	ACS Med Chem Lett (2016) 7: 134-138 [PMID:26985287]
ChEMBL	Inhibition of human SMYD3 expressed in HEK293T/17 cells using FLAG-tagged MEKK2 as substrate incubated for 30 mins in low air flow area followed by incubation for 24 hrs at 37 degC by Western blot analysis	B	7.44	pIC50	36	nM	IC50	ACS Med Chem Lett (2016) 7: 134-138 [PMID:26985287]
ChEMBL	Inhibition of SMYD3 (unknown origin)	B	8.3	pIC50	5	nM	IC50	PLoS One (2018) 13: 197372-197372 [PMID:29856759]
ChEMBL	SMYD3 Biochemical Assay: The assays were all performed in a buffer consisting of 25 mM Tris-Cl pH 8.0, 1 mM TCEP, 0.005% BSG, and 0.005% Tween 20, prepared on the day of use. Compounds in 100% DMSO (1 ul) were spotted into a 384-well white opaque OptiPlate using a Bravo automated liquid handling platform outfitted with a 384-channel head (Agilent Technologies). DMSO (1 ul) was added to Columns 11, 12, 23, 24, rows A-H for the maximum signal control and 1 ul of SAH, a known product and inhibitor of SMYD3, was added to columns 11, 12, 23, 24, rows I-P for the minimum signal control. A cocktail (40 ul) containing the SMYD3 enzyme was added by Multidrop Combi (Thermo-Fisher). The compounds were allowed to incubate with SMYD3 for 30 min at room temperature, then a cocktail (10 ul) containing SAM and MEKK2 was added to initiate the reaction (final volume=51 ul). The final concentrations of the components were as follows: SMYD3 was 0.4 nM, 3H-SAM was 8 nM, MEKK2 was 12 nM, SAH in the minimum signal control wells was 1 mM, and the DMSO concentration was 2%. The assays were stopped by the addition of non-radiolabeled SAM (10 ul) to a final concentration of 100 uM, which dilutes the 3H-SAM to a level where its incorporation into MEKK2 is no longer detectable. Radiolabeled MEKK2 was detected using a scintillation proximity assay (SPA). 10 uL of a 10 mg/mL solution of SPA beads in 0.5 M citric acid was added and the plates centrifuged at 600 rpm for 1 min to precipitate the radiolabeled MEKK2 onto the SPA beads. The plates were then read in a PerkinElmer TopCount plate reader to measure the quantity of 3H-labeled MEKK2 as disintegrations per minute (dpm) or alternatively, referred to as counts per minute (cpm).	B	8.45	pIC50	3.54	nM	IC50	US-10266526-B2. Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer (2019)
GtoPdb	Enzyme inhibition in a biochemical assay	-	8.52	pIC50	3	nM	IC50	ACS Med Chem Lett (2016) 7: 134-8 [PMID:26985287]
ChEMBL	Inhibition of full length N-terminal His-tagged SMYD3 (1 to 428 residues) (unknown origin) expressed in Escherichia coli using N-terminal GST-tagged MEKK2 as substrate preincubated for 30 mins followed by substrate addition by scintillation proximity assay in presence of [3H]SAM	B	8.52	pIC50	3	nM	IC50	ACS Med Chem Lett (2016) 7: 134-138 [PMID:26985287]
SET and MYND domain containing 2/N-lysine methyltransferase SMYD2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2169716] [GtoPdb: 2714] [UniProtKB: Q9NRG4]
ChEMBL	Inhibition of SMYD2 (unknown origin)	B	4.3	pIC50	>50000	nM	IC50	ACS Med Chem Lett (2016) 7: 134-138 [PMID:26985287]

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]