Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA (cytosine-5)-methyltransferase 3A' and Ligand = 'BDBM50506782'   

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 3A (Homo sapiens (Human))	BDBM50506782 (CHEMBL4461581) Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc(NCc3ccc(F)cc3)nc3cc(OC)c(OC)cc23)cc1 Show InChI InChI=1S/C31H36FN5O3/c1-38-25-10-6-21(7-11-25)12-15-37-16-13-24(14-17-37)34-30-26-18-28(39-2)29(40-3)19-27(26)35-31(36-30)33-20-22-4-8-23(32)9-5-22/h4-11,18-19,24H,12-17,20H2,1-3H3,(H2,33,34,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human DNMT3a C-terminal catalytic domain (623 to 908 residues) using 5'-biotinylated/3'-FAM-oligonucleotide as substrate me...				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
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