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Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA (cytosine-5)-methyltransferase 3A' and Ligand = 'BDBM50506786'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA (cytosine-5)-methyltransferase 3A


(Homo sapiens (Human))
BDBM50506786
PNG
(CHEMBL4469152)
Show SMILES COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(nc2c1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C31H36N6O/c1-38-27-12-13-28-29(22-27)33-31(37-20-18-36(19-21-37)26-10-6-3-7-11-26)34-30(28)32-25-14-16-35(17-15-25)23-24-8-4-2-5-9-24/h2-13,22,25H,14-21,23H2,1H3,(H,32,33,34)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.60E+3n/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DNMT3a C-terminal catalytic domain (623 to 908 residues) using 5'-biotinylated/3'-FAM-oligonucleotide as substrate me...


Eur J Med Chem 161: 277-291 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.041
BindingDB Entry DOI: 10.7270/Q21V5J76
More data for this
Ligand-Target Pair