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Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA (cytosine-5)-methyltransferase 1' and Ligand = 'BDBM50457721'   
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))		BDBM50457721
PNG
(CHEMBL4208010)
Show SMILES COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCC1CCNCC1)-c1ccc(C)o1
Show InChI InChI=1S/C27H36N4O3/c1-18-4-5-25(34-18)24-15-22(29-20-8-12-31(2)13-9-20)21-14-26(32-3)27(16-23(21)30-24)33-17-19-6-10-28-11-7-19/h4-5,14-16,19-20,28H,6-13,17H2,1-3H3,(H,29,30)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 73n/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