BDBM50239284 CHEMBL4096360

SMILES: C(CNc1ncnc2cc(OCC3CCN(CCNc4ccnc5ccccc45)CC3)ccc12)Cc1ccccc1

InChI Key: InChIKey=DPNGRMNVFKZZSM-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 = 50239284   

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))	BDBM50239284 (CHEMBL4096360) Show SMILES C(CNc1ncnc2cc(OCC3CCN(CCNc4ccnc5ccccc45)CC3)ccc12)Cc1ccccc1 Show InChI InChI=1S/C34H38N6O/c1-2-7-26(8-3-1)9-6-17-37-34-30-13-12-28(23-33(30)38-25-39-34)41-24-27-15-20-40(21-16-27)22-19-36-32-14-18-35-31-11-5-4-10-29(31)32/h1-5,7-8,10-14,18,23,25,27H,6,9,15-17,19-22,24H2,(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	4.60E+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
DNMT3A2/3L complex (Homo sapiens (Human))	BDBM50239284 (CHEMBL4096360) Show SMILES C(CNc1ncnc2cc(OCC3CCN(CCNc4ccnc5ccccc45)CC3)ccc12)Cc1ccccc1 Show InChI InChI=1S/C34H38N6O/c1-2-7-26(8-3-1)9-6-17-37-34-30-13-12-28(23-33(30)38-25-39-34)41-24-27-15-20-40(21-16-27)22-19-36-32-14-18-35-31-11-5-4-10-29(31)32/h1-5,7-8,10-14,18,23,25,27H,6,9,15-17,19-22,24H2,(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	4.40E+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