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Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA (cytosine-5)-methyltransferase 1' and Ligand = 'BDBM50457722'   
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))		BDBM50457722
PNG
(CHEMBL4215326)
Show SMILES COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OC1CC2(C1)CN(C)C2)-c1ccc(C)o1
Show InChI InChI=1S/C28H36N4O3/c1-18-5-6-25(34-18)24-12-22(29-19-7-9-31(2)10-8-19)21-11-26(33-4)27(13-23(21)30-24)35-20-14-28(15-20)16-32(3)17-28/h5-6,11-13,19-20H,7-10,14-17H2,1-4H3,(H,29,30)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/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