Compound name
MS049 hydrochloride
Protein family
HMT
Target name
CARM1@Methyltransferase
Affinity biochemical (nM)
34
Affinity on-target cellular (nM)
1400
CG-Set
Epigenetic set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0000103c
SMILES
CNCCN1CCC(OCc2ccccc2)CC1
InChIKey
HBOJWAYLSJLULG-UHFFFAOYSA-N
NCBI gene ID
10498
UniProt ID
Q86X55
Synonyms
PRMT4
Mode of action
Inhibitor
Negative control
MS049N
Affinity biochemical definition
IC50
Affinity biochemical assay type
Biochemical assay (measuring transfer of the methyl group from 3H-SAM to the peptide substrates)
Affinity Biochemical Source Knowledge
https://doi.org/10.1021/acs.jmedchem.6b01033
Affinity biochemical relation
=
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
Western Blot (PRMT4 dependent cellular asymmetric arginine dimethylation of Med12 (Med12-Rme2a) in HEK293 cells)
Affinity on-target cellular relation
=
Selectivity platform
Methyltransferase panel, literature
Selectivity platform number of targets
25
Selectivity remarks
Screened at 10 µM and 50 µM: MS049 is highly selective and showed no inhibition of any enzyme in the panel; Screened in CEREP panel against 100 enzymes (GPCRs, ion channels, transporters, kinases) at 10 µM, clean profile; Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest targets (radioligand binding assays): Ki(H3) = 87 nM, Ki(Sigma 1) = 64 nM, Ki(Sigma 2) = 574 nM;
Selectivity Source Knowledge
https://doi.org/10.1021/acs.jmedchem.6b01033
Selectivity Number of Off-targets
0