BDBM50582894 CHEMBL5076615

SMILES Cc1ccc(c2c1[nH]c(c2)C(=O)Nc3cccc(c3)N4CCC(CC4)N(C)C)F

InChI Key InChIKey=GBIAQCRLFDZGOQ-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50582894   

LigandPNGBDBM50582894(CHEMBL5076615)
Affinity DataIC50: 10nMAssay Description:Inhibition of MMSET (953 to 1240 residues) (unknown origin) by Alpha Screen assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetHistone-lysine N-methyltransferase SETD2(Human)
Epizyme

Curated by ChEMBL
LigandPNGBDBM50582894(CHEMBL5076615)
Affinity DataIC50: 18nMAssay Description:Inhibition of SETD2 (unknown origin) preincubated for 30 mins followed by SAM substrate addition measured after 2 hrs by plate reader methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase SETD2(Human)
Epizyme

Curated by ChEMBL
LigandPNGBDBM50582894(CHEMBL5076615)
Affinity DataIC50: 235nMAssay Description:Inhibition of SETD2 in human A549 cells assessed as H3K36 trimethyl mark incubated for 3 days by in-cell western assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)