BDBM50239286 CHEMBL4084601

SMILES: C(CN1CCC(COc2ccc3c(NCCc4ccccc4)ncnc3c2)CC1)Nc1ccnc2ccccc12

InChI Key: InChIKey=NPTVLSFKUZXFAO-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 = 50239286   

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))	BDBM50239286 (CHEMBL4084601) Show SMILES C(CN1CCC(COc2ccc3c(NCCc4ccccc4)ncnc3c2)CC1)Nc1ccnc2ccccc12 Show InChI InChI=1S/C33H36N6O/c1-2-6-25(7-3-1)12-16-36-33-29-11-10-27(22-32(29)37-24-38-33)40-23-26-14-19-39(20-15-26)21-18-35-31-13-17-34-30-9-5-4-8-28(30)31/h1-11,13,17,22,24,26H,12,14-16,18-21,23H2,(H,34,35)(H,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20E+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))	BDBM50239286 (CHEMBL4084601) Show SMILES C(CN1CCC(COc2ccc3c(NCCc4ccccc4)ncnc3c2)CC1)Nc1ccnc2ccccc12 Show InChI InChI=1S/C33H36N6O/c1-2-6-25(7-3-1)12-16-36-33-29-11-10-27(22-32(29)37-24-38-33)40-23-26-14-19-39(20-15-26)21-18-35-31-13-17-34-30-9-5-4-8-28(30)31/h1-11,13,17,22,24,26H,12,14-16,18-21,23H2,(H,34,35)(H,36,37,38)	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	4.90E+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