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Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA (cytosine-5)-methyltransferase 1' and Ligand = 'BDBM50457753'   
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))		BDBM50457753
PNG
(CHEMBL4215862)
Show SMILES COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OC1CC2(C1)CN(C2)C(C)C)-c1ccc(C)o1
Show InChI InChI=1S/C30H40N4O3/c1-19(2)34-17-30(18-34)15-22(16-30)37-29-14-25-23(12-28(29)35-5)24(31-21-8-10-33(4)11-9-21)13-26(32-25)27-7-6-20(3)36-27/h6-7,12-14,19,21-22H,8-11,15-18H2,1-5H3,(H,31,32)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 83n/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