BDBM50595368 CHEMBL5191615

SMILES CC(C)N1CCC(CC1)Nc2c3cc(c(cc3nc(n2)NC(=O)C=C)OCCCN4CCCC4)OC

InChI Key InChIKey=JBMUWBUCVSKHLE-UHFFFAOYSA-N

Data  2 IC50  2 Kd

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50595368   

TargetHistone-lysine N-methyltransferase EHMT2(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50595368(CHEMBL5191615)
Affinity DataIC50: 3.10E+3nMAssay Description:Inhibition of human G9a (913 to 1193 residues) using H3 peptide as substrate measured upto 45 mins in presence of SAM cofactorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase EHMT1(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50595368(CHEMBL5191615)
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of human GLP (982 to 1266 residues) using H3 peptide as substrate measured upto 45 mins in presence of SAM cofactorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase EHMT1(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50595368(CHEMBL5191615)
Affinity DataKd:  790nMAssay Description:Binding affinity to human GLP (982 to 1266 residues) assessed as dissociation constant by isothermal titration calorimetry methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase EHMT2(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50595368(CHEMBL5191615)
Affinity DataKd:  790nMAssay Description:Binding affinity to human G9a (913 to 1193 residues) assessed as dissociation constant by isothermal titration calorimetry methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)