BDBM50541903 CHEMBL4633932::US11459315, Example 133

SMILES CSc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC2)C2COC2)c2ccccc12

InChI Key InChIKey=JBLCRBOBTLIFED-UHFFFAOYSA-N

Data  2 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50541903   

TargetHistone-lysine N-methyltransferase EZH2(Human)
Constellation Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50541903(CHEMBL4633932 | US11459315, Example 133)
Affinity DataIC50: 0.120nMAssay Description:Inhibition of N-terminal FLAG-tagged EZH2 in PRC2 complex (unknown origin) expressed in baculovirus infected Sf9 cells using H2N-RKQLATKAAR(Kme0)SAPA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetHistone-lysine N-methyltransferase EZH2(Human)
Constellation Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50541903(CHEMBL4633932 | US11459315, Example 133)
Affinity DataIC50: 0.5nMAssay Description:Compound potencies were assessed through incorporation of 3H-SAM into a biotinylated H3 peptide. Specifically, 30 pM PRC2 containing wt EZH2 (pentame...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/7/2022
Entry Details
US Patent

TargetHistone-lysine N-methyltransferase EZH2(Human)
Constellation Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50541903(CHEMBL4633932 | US11459315, Example 133)
Affinity DataEC50:  5.10nMAssay Description:Inhibition of EZH2 in human HeLa cells assessed as inhibition of trimethylation of H3K27 after 72 hrs by AlphaLISA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed