AZ505 [Ligand Id: 7021] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL2169920
  • SET and MYND domain containing 2/N-lysine methyltransferase SMYD2 in Human [ChEMBL: CHEMBL2169716] [GtoPdb: 2714] [UniProtKB: Q9NRG4]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
SET and MYND domain containing 2/N-lysine methyltransferase SMYD2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2169716] [GtoPdb: 2714] [UniProtKB: Q9NRG4]
ChEMBL Binding affinity to recombinant human full-length SMYD2 (1 to 433) by ITC analysis B 6.3 pKd 500 nM Kd J. Med. Chem. (2015) 58: 1596-1629 [PMID:25406853]
ChEMBL Competitive binding affinity to full length human SMYD2 amino acid 1 to 433 expressed in Escherichia coli BL21 (DE3) after 90 mins by radioactive filter-binding assay in presence of P53 peptide B 6.52 pKi 300 nM Ki Eur. J. Med. Chem. (2012) 56: 179-194 [PMID:22975593]
ChEMBL Inhibition of SMYD2 (unknown origin) expressed in human U2OS cells assessed as reduction in p53 methylation by Western blot analysis B 5 pIC50 <10000 nM IC50 J. Med. Chem. (2016) 59: 4578-4600 [PMID:27075367]
ChEMBL Inhibition of N-terminal 2xc-myc-tagged human SMYD2 transfected in human MDA-MB-231 cells assessed as reduction in AHNAK methylation after 72 hrs by ICW assay B 5.54 pIC50 2900 nM IC50 J. Med. Chem. (2016) 59: 4578-4600 [PMID:27075367]
ChEMBL Inhibition of full length 6xHis-tagged SMYD2 (unknown origin) expressed in Escherichia coli using Btn-Ahx GSRAHSSHLKSKKGQSTSRH-amide as substrate after 30 mins in presence 3H-SAM of by scintillation proximity assay B 6.09 pIC50 812 nM IC50 J. Med. Chem. (2016) 59: 4578-4600 [PMID:27075367]
ChEMBL Inhibition of SMYD2 (unknown origin) using biotinylated GSRAHSSHLKSKKGQSTSRH as substrate assessed as incorporation of tritium labeled methyl group from [3H]-SAM to biotinylated peptide substrate after 40 mins by scintillation proximity assay B 6.64 pIC50 230 nM IC50 ACS Med. Chem. Lett. (2015) 6: 695-700 [PMID:26101576]
GtoPdb - - 6.92 pIC50 120 nM IC50 Structure (2011) 19: 1262-73 [PMID:21782458]
ChEMBL Inhibition of recombinant full-length human SMYD2 (1 to 433) expressed in Escherichia coli BL21Star(DE3) cells using p53 peptide as substrate after 90 mins by scintillation proximity assay in presence of [3H]-SAM B 6.92 pIC50 120 nM IC50 ACS Med. Chem. Lett. (2015) 6: 695-700 [PMID:26101576]
ChEMBL Inhibition of full length human SMYD2 amino acid 1 to 433 expressed in Escherichia coli BL21 (DE3) using Biotinaminohexanoyl- GSRAHSSHLKSKKGQSTSRH as substrate after 75 mins by AlphaScreen assay B 6.92 pIC50 120 nM IC50 Eur. J. Med. Chem. (2012) 56: 179-194 [PMID:22975593]
ChEMBL Inhibition of SMYD2 (unknown origin) expressed in Escherichia coli BL21 (DE3) using Biotinaminohexanoyl-GSRAHSSHLKSKKGQSTSRH as substrate after 75 mins by scintillation proximity assay B 6.92 pIC50 120 nM IC50 J. Med. Chem. (2016) 59: 4578-4600 [PMID:27075367]
ChEMBL Inhibition of recombinant human full-length SMYD2 (1 to 433) using biotin-aminohexanoyl GSRAHSSHLKSKKGQSTSRH as substrate after 75 mins by AlphaScreen assay B 6.92 pIC50 120 nM IC50 J. Med. Chem. (2015) 58: 1596-1629 [PMID:25406853]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]