Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA (cytosine-5)-methyltransferase 1' and Ligand = 'BDBM50239289'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50239289 (CHEMBL4096752) Show SMILES COc1ccc(CCNc2ncnc3cc(OCC4CCN(CCNc5ccnc6ccccc56)CC4)ccc23)cc1 Show InChI InChI=1S/C34H38N6O2/c1-41-27-8-6-25(7-9-27)12-16-37-34-30-11-10-28(22-33(30)38-24-39-34)42-23-26-14-19-40(20-15-26)21-18-36-32-13-17-35-31-5-3-2-4-29(31)32/h2-11,13,17,22,24,26H,12,14-16,18-21,23H2,1H3,(H,35,36)(H,37,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre USR3388 Curated by ChEMBL					Assay Description Inhibition of full length His-tagged human DNMT1 using SAM/[methyl-3H]SAM assessed as reduction of methylation in biotinylated hemimethylated DNA dup...				J Med Chem 60: 4665-4679 (2017) Article DOI: 10.1021/acs.jmedchem.7b00176 BindingDB Entry DOI: 10.7270/Q2MK6G1K
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