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Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA (cytosine-5)-methyltransferase 1' and Ligand = 'BDBM50457723'   
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))		BDBM50457723
PNG
(CHEMBL4212905)
Show SMILES CCc1ccc(o1)-c1cc(NCC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1
Show InChI InChI=1S/C30H42N4O3/c1-4-23-8-9-28(37-23)27-19-25(31-21-22-10-15-33(2)16-11-22)24-18-29(35-3)30(20-26(24)32-27)36-17-7-14-34-12-5-6-13-34/h8-9,18-20,22H,4-7,10-17,21H2,1-3H3,(H,31,32)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/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