EM127 [Ligand Id: 13979] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL5439323
  • SET and MYND domain containing 3/Histone-lysine N-methyltransferase SMYD3 in Human [ChEMBL: CHEMBL2321643] [GtoPdb: 3313] [UniProtKB: Q9H7B4]
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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 3/Histone-lysine N-methyltransferase SMYD3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2321643] [GtoPdb: 3313] [UniProtKB: Q9H7B4]
ChEMBL Binding affinity to full length recombinant SMYD3 (unknown origin) overexpressed in Escherichia coli Rosetta cells assessed as dissociation constant by SPR analysis B 4.89 pKd 13000 nM Kd Eur J Med Chem (2022) 243: 114683-114683 [PMID:36116234]
GtoPdb - - 5.21 pKi 6110 nM Ki Eur J Med Chem (2022) 243: 114683 [PMID:36116234]
ChEMBL Binding affinity to full length recombinant SMYD3 (unknown origin) overexpressed in Escherichia coli Rosetta cells assessed as inhibition constant measured after 1 hr by LC-MS analysis B 5.21 pKi 6110 nM Ki Eur J Med Chem (2022) 243: 114683-114683 [PMID:36116234]
ChEMBL Inhibition of full length recombinant SMYD3 (unknown origin) measured at 24 hrs B 6.43 pIC50 370 nM IC50 Eur J Med Chem (2022) 243: 114683-114683 [PMID:36116234]

ChEMBL data shown on this page come from version 35:

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]