null

SMILES: COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(nc2c1)N1CCN(CC1)c1ccccc1

InChI Key: InChIKey=NWMXOHAWLAMXOO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50506786   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50506786 (CHEMBL4469152) Show SMILES COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(nc2c1)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C31H36N6O/c1-38-27-12-13-28-29(22-27)33-31(37-20-18-36(19-21-37)26-10-6-3-7-11-26)34-30(28)32-25-14-16-35(17-15-25)23-24-8-4-2-5-9-24/h2-13,22,25H,14-21,23H2,1H3,(H,32,33,34)	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	4.60E+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
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50506786 (CHEMBL4469152) Show SMILES COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(nc2c1)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C31H36N6O/c1-38-27-12-13-28-29(22-27)33-31(37-20-18-36(19-21-37)26-10-6-3-7-11-26)34-30(28)32-25-14-16-35(17-15-25)23-24-8-4-2-5-9-24/h2-13,22,25H,14-21,23H2,1H3,(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human DNMT1 using biotinylated DNA duplex as substrate measured after 2 hrs in presence of Adomet/[methyl-3H]Adomet by topc...				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041
					More data for this Ligand-Target Pair