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Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA (cytosine-5)-methyltransferase 1' and Ligand = 'BDBM50457732'   
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))		BDBM50457732
PNG
(CHEMBL4205136)
Show SMILES CCc1ccc(o1)-c1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCC4(CC4)C3)cc2n1
Show InChI InChI=1S/C31H42N4O3/c1-4-23-6-7-28(38-23)27-19-25(32-22-8-14-34(2)15-9-22)24-18-29(36-3)30(20-26(24)33-27)37-17-5-13-35-16-12-31(21-35)10-11-31/h6-7,18-20,22H,4-5,8-17,21H2,1-3H3,(H,32,33)
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PC cid
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Article
PubMed
n/an/a 212n/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