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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA (cytosine-5)-methyltransferase 1' and Ligand = 'BDBM50506784'   
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 1


(Homo sapiens (Human))
BDBM50506784
PNG
(CHEMBL4527662)
Show SMILES COc1cc2c(NC3CCN(Cc4ccccc4)CC3)nc(nc2cc1OCc1ccccc1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C38H42N6O2/c1-45-35-25-33-34(26-36(35)46-28-30-13-7-3-8-14-30)40-38(44-23-21-43(22-24-44)32-15-9-4-10-16-32)41-37(33)39-31-17-19-42(20-18-31)27-29-11-5-2-6-12-29/h2-16,25-26,31H,17-24,27-28H2,1H3,(H,39,40,41)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DNMT1 using biotinylated DNA duplex as substrate measured after 2 hrs in presence of Adomet/[methyl-3H]Adomet by topc...


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