PDB ID for probe-target interaction (3D structure):
6NM4
Structure-activity relationship:
yes
Potency assay (off target):
Enzyme Activity Assay
Probe Selectivity in Vitro:
Selectivity against 32 methyltransferases (MTs) were tested at 1 µM and 10 µM of compounds. PRDM9 was the only methyltransferase in a panel of MTs that was inhibited by MRK-740
In cell validation
Potency in cells:
IC50
0.8 uM
Potency assay (cells):
H3K4 methylation assay
Target engagement assay (cells):
NanoLuciferase thermal shift assay (NALTSA)
Potency assay, off target (cells):
Eurofins Panlabs
Probe Selectivity in Cell:
MRK-740 was profiled in a customized panel of 108 enzymes and receptors at Eurofins Panlabs Discovery Services, Taiwan. MRK-740 demonstrated significant (>50% at 10 µM) binding only to Adrenergic α2B, Histamine H3, Muscarinic M2 and Opiate µ receptors. Functional assessment for these four GPCRs in agonist and antagonist mode revealed no functional activity on Adrenergic α2B, Histamine H3 & Muscarinic M2 receptors, and some potential agonistic activity at the Opiate µ receptor.