BDBM50218519 6,7-dimethoxy-3-(4-{[(2-nitrobenzyl)methylamino]methyl}phenyl)-chromen-2-one::CHEMBL265416

SMILES: COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4[N+]([O-])=O)cc3)c(=O)oc2cc1OC

InChI Key: InChIKey=YNJVJLWDZRPHHU-UHFFFAOYSA-N

Data: 2 IC50

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 = 50218519   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218519 (6,7-dimethoxy-3-(4-{[(2-nitrobenzyl)methylamino]me...) Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4[N+]([O-])=O)cc3)c(=O)oc2cc1OC Show InChI InChI=1S/C26H24N2O6/c1-27(16-19-6-4-5-7-22(19)28(30)31)15-17-8-10-18(11-9-17)21-12-20-13-24(32-2)25(33-3)14-23(20)34-26(21)29/h4-14H,15-16H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	987	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50218519 (6,7-dimethoxy-3-(4-{[(2-nitrobenzyl)methylamino]me...) Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4[N+]([O-])=O)cc3)c(=O)oc2cc1OC Show InChI InChI=1S/C26H24N2O6/c1-27(16-19-6-4-5-7-22(19)28(30)31)15-17-8-10-18(11-9-17)21-12-20-13-24(32-2)25(33-3)14-23(20)34-26(21)29/h4-14H,15-16H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair