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Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA (cytosine-5)-methyltransferase 1' and Ligand = 'BDBM50457756'   
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))		BDBM50457756
PNG
(CHEMBL4203647)
Show SMILES COc1cc2c(NCC3CCN(CC3)C(C)C)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
Show InChI InChI=1S/C31H44N4O3/c1-22(2)35-15-10-24(11-16-35)21-32-26-19-28(29-9-8-23(3)38-29)33-27-20-31(30(36-4)18-25(26)27)37-17-7-14-34-12-5-6-13-34/h8-9,18-20,22,24H,5-7,10-17,21H2,1-4H3,(H,32,33)
PDB

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PC cid
PC sid
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Article
PubMed
n/an/a 205n/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