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Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA (cytosine-5)-methyltransferase 1' and Ligand = 'BDBM50457754'   
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))		BDBM50457754
PNG
(CHEMBL4216593)
Show SMILES COc1cc2c(NC3CC4(C3)CCN(CC4)C(C)C)cc(nc2cc1OC1CC2(C1)CN(C)C2)-c1ccc(C)o1
Show InChI InChI=1S/C33H44N4O3/c1-21(2)37-10-8-32(9-11-37)15-23(16-32)34-26-13-28(29-7-6-22(3)39-29)35-27-14-31(30(38-5)12-25(26)27)40-24-17-33(18-24)19-36(4)20-33/h6-7,12-14,21,23-24H,8-11,15-20H2,1-5H3,(H,34,35)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 187n/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