BDBM50563821 CHEMBL4780697

SMILES COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC2)C(=O)N(C)C)c2ccccc12

InChI Key InChIKey=AEFRRATWSMOUOK-UHFFFAOYSA-N

Data  2 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50563821   

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

Curated by ChEMBL
LigandPNGBDBM50563821(CHEMBL4780697)
Affinity DataIC50: 8.90nMAssay Description:Inhibition of EZH2 Y641F mutant in PRC2 complex (unknown origin) using RKQLATKAARK(Me3)SAPATGGVKKP-NH2 peptide substrate preincubated for 30 mins fol...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetHistone-lysine N-methyltransferase EZH2(Human)
Constellation Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50563821(CHEMBL4780697)
Affinity DataEC50:  930nMAssay 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:
3/29/2022
Entry Details Article
PubMed
TargetHistone-lysine N-methyltransferase EZH2(Human)
Constellation Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50563821(CHEMBL4780697)
Affinity DataIC50: 3.30nMAssay Description:Inhibition of wild-type EZH2 in PRC2 complex (unknown origin) using RKQLATKAARK(Me3)SAPATGGVKKP-NH2 peptide substrate preincubated for 30 mins follow...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed