BDBM50652799 CHEMBL5661898

SMILES Cc1ccc(NC(=O)NCCCN(C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)C(C)C)cc1

InChI Key

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50652799   

TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Human)
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50652799(CHEMBL5661898)
Affinity DataKd:  2.70nMAssay Description:Binding affinity to recombinant N-terminal DOT1L (1 to 420 residues) (unknown origin) expressed in Escherichia coli (DE3) assessed as dissociation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Human)
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50652799(CHEMBL5661898)
Affinity DataKd:  27nMAssay Description:Binding affinity to recombinant N-terminal DOT1L (1 to 420 residues) (unknown origin) expressed in Escherichia coli (DE3) assessed as dissociation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Human)
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50652799(CHEMBL5661898)
Affinity DataIC50: 40nMAssay Description:Inhibition of recombinant N-terminal DOT1L (1 to 420 residues) (unknown origin) expressed in Escherichia coli (DE3) using [3H]-SAM as substrate prein...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)