BDBM50239289 CHEMBL4096752

SMILES: COc1ccc(CCNc2ncnc3cc(OCC4CCN(CCNc5ccnc6ccccc56)CC4)ccc23)cc1

InChI Key: InChIKey=ZNPPSNWPCNBCFU-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50239289   

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 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
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre USR3388 Curated by ChEMBL					Assay Description Inhibition of human DNMT3A catalytic domain using AdoMet assessed as reduction of methylation in 5'-biotin/3' 6-carboxyfluorescein labeled DNA duplex...				J Med Chem 60: 4665-4679 (2017) Article DOI: 10.1021/acs.jmedchem.7b00176 BindingDB Entry DOI: 10.7270/Q2MK6G1K
					More data for this Ligand-Target Pair