BDBM50526221 CHEMBL4454542

SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(CN=C2NC1CCN(CC1)C(C)C)C1CCCCC1

InChI Key InChIKey=CEYUGMZUIYBLTQ-UHFFFAOYSA-N

Data  2 KI  2 IC50  1 Kd

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50526221   

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

Curated by ChEMBL
LigandPNGBDBM50526221(CHEMBL4454542)
Affinity DataKd:  1.13E+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
In DepthDetails Article
PubMed
TargetDNA (cytosine-5)-methyltransferase 1(Human)
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50526221(CHEMBL4454542)
Affinity DataIC50: 3.10E+3nMAssay 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 Article
PubMed
TargetHistone-lysine N-methyltransferase EHMT2(Human)
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50526221(CHEMBL4454542)
Affinity DataIC50: 23nMAssay 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
In DepthDetails Article
PubMed
TargetHistone-lysine N-methyltransferase EHMT2(Human)
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50526221(CHEMBL4454542)
Affinity DataKi:  3.60nMAssay Description:Competitive inhibition of recombinant human G9a using biotinylated-Histone H3 peptide (1 to 21 residues) as substrate after 30 mins in presence of va...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone-lysine N-methyltransferase EHMT2(Human)
The University of Texas M.D. Anderson Cancer Center

Curated by ChEMBL
LigandPNGBDBM50526221(CHEMBL4454542)
Affinity DataKi:  14nMAssay Description:Non-competitive inhibition of recombinant human G9a using biotinylated-Histone H3 peptide (1 to 21 residues) as substrate at varying concentration af...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed