Compound name
BAY-598
Protein family
HMT
Target name
SMYD2
Affinity biochemical (nM)
27
CG-Set
Epigenetic set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0000220b
SMILES
CCN(C(CO)=O)[C@H]1CN(C(Nc2cccc(c2)OC(F)F)=NC#N)N=C1c1ccc(c(c1)[Cl])[Cl]
InChIKey
OTTJIRVZJJGFTK-SFHVURJKSA-N
NCBI gene ID
56950
UniProt ID
Q9NRG4
Synonyms
HSKM-B, KMT3C, ZMYND14
Mode of action
Inhibitor
Negative control
BAY-369 (racemate)
Affinity biochemical definition
IC50
Affinity biochemical assay type
Scintillation proximity assay
Affinity Biochemical Source Knowledge
https://pubs.acs.org/doi/10.1021/acs.jmedchem.5b01890
Affinity biochemical relation
0
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
456
Selectivity remarks
Screened at 1 µM, closest target as % of contr.: RIOK3 (46%); Screened at 10 µM against Eurofins-Panlabs screen against 68 targets, closest targets as % of inhibition: SLC6A2 (NET, 78%), SLC6A3 (DAT, 71 %); Screened at 1 µM, 10 µM, and 50 µM, against 32 methyltransferases (enzyme activity assays, including closely related family members SMYD3, SUV420H1, and SUV420H2) >100-fold selective; IC50(SMYD3) = 3 μM, IC50(PAR1) = 1.7 µM
Selectivity Source Knowledge
https://www.thesgc.org/chemical-probes/BAY-598
Selectivity Number of Off-targets
0