BDBM50641851 CHEMBL5569118

SMILES C=CCn1c(N[C@@H]2C[C@H](c3ccc(OCc4ccccc4)cc3)CN(C)C2)nc2cc[nH]c2c1=O

InChI Key

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 = 50641851   

TargetHistone-lysine N-methyltransferase SETDB1(Human)
University of Sao Paulo

Curated by ChEMBL
LigandPNGBDBM50641851(CHEMBL5569118)
Affinity DataKd:  80nMAssay Description:Binding affinity N-terminal his tagged wild type human SETDB1 (190 to 410 residues ) expressed in Escherichia coli BL21 (DE3) assessed as dissociatio...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase SETDB1(Human)
University of Sao Paulo

Curated by ChEMBL
LigandPNGBDBM50641851(CHEMBL5569118)
Affinity DataIC50: 7.50E+5nMAssay Description:Inhibition of GST tagged human SETDB1 (190 to 410 residues ) expressed in Escherichia coli BL21 (DE3) assessed as inhibition of H3K9me2 measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase SETDB1(Human)
University of Sao Paulo

Curated by ChEMBL
LigandPNGBDBM50641851(CHEMBL5569118)
Affinity DataIC50: 9.30E+5nMAssay Description:Inhibition of GST tagged human SETDB1 (190 to 410 residues ) expressed in Escherichia coli BL21 (DE3) assessed as inhibition of H3K9me3 measured afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)