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Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA (cytosine-5)-methyltransferase 1' and Ligand = 'BDBM50457715'   
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))		BDBM50457715
PNG
(CHEMBL4216663)
Show SMILES COc1cc2c(NCC3C4CCC3CN(C)C4)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
Show InChI InChI=1S/C31H42N4O3/c1-21-7-10-29(38-21)28-16-26(32-18-25-22-8-9-23(25)20-34(2)19-22)24-15-30(36-3)31(17-27(24)33-28)37-14-6-13-35-11-4-5-12-35/h7,10,15-17,22-23,25H,4-6,8-9,11-14,18-20H2,1-3H3,(H,32,33)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 261n/an/an/an/an/an/a



WuXi Apptec (Tianjin) Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human DNMT1 using polydeoxyinosine polydeoxycytosine DNA as substrate after 15 mins in presence of SAM by TR-FRET assay

J Med Chem 61: 6546-6573 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01925
BindingDB Entry DOI: 10.7270/Q2BP05CM
More data for this
Ligand-Target Pair