BDBM50353128 CHEMBL1231795

SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1

InChI Key InChIKey=QOECJCJVIMVJGX-UHFFFAOYSA-N

Data  3 KI  38 IC50  1 Kd

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50353128   

TargetHistone-lysine N-methyltransferase EHMT2(Homo sapiens (Human))
The University Of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50353128(CHEMBL1231795)
Affinity DataIC50:  25nMAssay Description:Inhibition of recombinant human G9a using biotinylated-Histone H3 peptide (1 to 21 residues) after 30 mins in presence of SAM by AlphaLISA assayMore data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase EHMT2(Homo sapiens (Human))
The University Of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50353128(CHEMBL1231795)
Affinity DataKd:  1.42E+3nMAssay Description:Binding affinity to human His-tagged G9a expressed in Escherichia coli Rosetta (DE3) after 30 mins by MST binding assayMore data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase EHMT1(Homo sapiens (Human))
The University Of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50353128(CHEMBL1231795)
Affinity DataIC50:  19nMAssay Description:Inhibition of GLP (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA (cytosine-5)-methyltransferase 1(Homo sapiens (Human))
The University Of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50353128(CHEMBL1231795)
Affinity DataIC50:  1.07E+5nMAssay Description:Inhibition of N-terminal GST-tagged recombinant full length human DNMT1 (2 to 1632 residues) using poly(dI-dC)):poly(dI-dC) as substrate preincubated...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone-lysine N-methyltransferase EHMT2(Homo sapiens (Human))
The University Of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50353128(CHEMBL1231795)
Affinity DataIC50:  15nMAssay Description:Inhibition G9a (unknown origin)More data for this Ligand-Target Pair