Compound name
PFI-5
Target name
SMYD2
Affinity biochemical (nM)
9
Affinity on-target cellular (nM)
900
CG-Set
Epigenetic set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0001124aAE
SMILES
[H][C@]1(CCCCC=C1)N1CCC(CC1)Cn1ccc(c1)C(N1CC(C)(C1)n1cnc2c(N)nc(C)cc12)=O.CC(O)=O
InChIKey
TZMQFZRIXDLOHW-JIDHJSLPSA-N
NCBI gene ID
56950
UniProt ID
Q9NRG4
Synonyms
HSKM-B, KMT3C, ZMYND14
Mode of action
Inhibitor
Negative control
PFI-5N
Affinity biochemical definition
IC50
Affinity biochemical assay type
Inhibition of in vitro methylation of p53K370
Affinity Biochemical Source Knowledge
https://pubs.acs.org/doi/10.1021/acs.jmedchem.9b00112#
Affinity biochemical relation
0
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
Inhibition of the methylation of p53K370 in cells
Affinity on-target cellular source knowledge
https://pubs.acs.org/doi/10.1021/acs.jmedchem.9b00112#
Affinity on-target cellular relation
0
Selectivity platform
Enzyme panel (Scintillation proximity assay)
Selectivity platform number of targets
35
Selectivity remarks
Screened at 1 µM, 10 µM, and 50 µM (methyltransferase activity of G9a, GLP, SUV39H1, SUV39H2, SETDB1, SETD8, SUV420H1, SUV420H2, SETD7, MLL1 pentameric complex, MLL3 pentameric complex, EZH2 trimeric complex, PRMT1, PRMT3, PRMT4, PRMT5-MEP50 complex, PRMT6, PRMT7, PRMT8, PRMT9, PRDM9, SETD2, SMYD2, SMYD3, BCDIN3D, METTL3-14, and DNMT1), closest targets SUV420H1 (60% activity at 1 µM), SUV420H2 (62% activity at 1 µM); In-cellular follow-up by western blot assay (effect on H4K20me2/3 cellular mark modulated by SUVH420H1/H2 using MCF7 cells): EC50(SUVH420H1) >50 µM, EC50(SUV420H2) >50 µM; Screened at 1 µM against 40 kinases (enzymatic assay), closest target as % of inhibition: MAP4K4 (10.42%), clean selectivity profile; Screened against 15 diverse protein targets, all targets >10 µM, clean selectivity profile
Selectivity Source Knowledge
https://pubs.acs.org/doi/10.1021/acs.jmedchem.9b00112#
Selectivity Number of Off-targets
0