Compound name
MRK-740
Protein family
HMT
Target name
PRDM9
Affinity biochemical (nM)
80
Affinity on-target cellular (nM)
800
CG-Set
Epigenetic set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0000234b
SMILES
COc1cc(OC)cc(-c2noc(N3CCN(C)C4(CCN(c5ccnc(C)c5)CC4)C3)n2)c1
InChIKey
NZYTZRHHBAJPKN-UHFFFAOYSA-N
NCBI gene ID
56979
UniProt ID
Q9NQV7
Synonyms
KMT8B, MEISETZ, MSBP3, PFM6, ZNF899
Mode of action
Inhibitor
Negative control
MRK-740-NC
Affinity biochemical definition
IC50
Affinity biochemical assay type
Scintillation proximity assay (SPA)
Affinity Biochemical Source Knowledge
https://doi.org/10.1038/s41467-019-13652-x
https://www.thesgc.org/chemical-probes/MRK-740
Affinity biochemical relation
=
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
Western Blot (inhibition of PRDM9-dependent trimethylation of ectopic H3K4 in HEK293T cells)
Affinity on-target cellular relation
=
Selectivity platform
Methyltransferase panel, literature
Selectivity platform number of targets
45
Selectivity remarks
Screened in DSF assay at 10µM, dTm(PRDMT9) = 5.2K, closest target dTm(PRDMT7) = 5.0K; Screened against 108 enzymes and receptors (Eurofins Panlabs Discovery Services), closest targets>50% at 10µM: MOR, A2AB, M2, H3; In vitro follow up with GloSensor assay (PDSP screen): EC50>10µM for all targets
Selectivity Source Knowledge
https://doi.org/10.1038/s41467-019-13652-x
Selectivity Number of Off-targets
0