BDBM50268886 CHEMBL4072211

SMILES CCCN(C)c1nc2cc(c(cc2c(n1)NC3CCN(CC3)C)OC)OC

InChI Key InChIKey=RCWUUMJJJVFQSV-UHFFFAOYSA-N

Data  2 IC50  2 Kd

PDB links: 2 PDB IDs match this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50268886   

TargetHistone-lysine N-methyltransferase EHMT1(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50268886(CHEMBL4072211)
Affinity DataIC50: 5nMAssay Description:Inhibition of human GLP catalytic domain (951 to 1235 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase EHMT2(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50268886(CHEMBL4072211)
Affinity DataKd:  510nMAssay Description:Binding affinity to human G9a in presence of SAM by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase EHMT1(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50268886(CHEMBL4072211)
Affinity DataKd:  57nMAssay Description:Binding affinity to human GLP in presence of SAM by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHistone-lysine N-methyltransferase EHMT2(Human)
Icahn School of Medicine At Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50268886(CHEMBL4072211)
Affinity DataIC50: 295nMAssay Description:Inhibition of human G9a catalytic domain (913 to 1193 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated H3 (1 to 25 residues) as ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)