BDBM50641851 CHEMBL5569118

SMILES CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2CC=C)c4ccc(cc4)OCc5ccccc5

InChI Key InChIKey=NBDJDKAXIGWAIM-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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

LigandBDBM50641851(CHEMBL5569118)Copy SMILESCopy InChI

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

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDB

In Depth
Date in BDB:
10/12/2025
Entry Details
Copy BDB DOIPubMedPDB3D Structure (crystal)
Copy reaction URL

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

Curated by ChEMBL

LigandBDBM50641851(CHEMBL5569118)Copy SMILESCopy InChI

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

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDB

In Depth
Date in BDB:
10/12/2025
Entry Details
Copy BDB DOIPubMedPDB3D Structure (crystal)
Copy reaction URL

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

Curated by ChEMBL

LigandBDBM50641851(CHEMBL5569118)Copy SMILESCopy InChI

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

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDB

In Depth
Date in BDB:
10/12/2025
Entry Details
Copy BDB DOIPubMedPDB3D Structure (crystal)
Copy reaction URL