BDBM50221906 2,5-bis[6-(2-methoxybenzylamino)hexylamino]-[1,4]-benzoquinone::CHEMBL243044

SMILES: COc1ccccc1CNCCCCCCNc1cc(O)c(cc1O)N=CCCCCCNCc1ccccc1OC

InChI Key: InChIKey=ALHZWKVUOQAYRD-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 = 50221906   

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
Cholinesterases (Homo sapiens (Human))	BDBM50221906 (2,5-bis[6-(2-methoxybenzylamino)hexylamino]-[1,4]-...) Show SMILES COc1ccccc1CNCCCCCCNc1cc(O)c(cc1O)N=CCCCCCNCc1ccccc1OC |w:25.26| Show InChI InChI=1S/C34H48N4O4/c1-41-33-17-9-7-15-27(33)25-35-19-11-3-5-13-21-37-29-23-32(40)30(24-31(29)39)38-22-14-6-4-12-20-36-26-28-16-8-10-18-34(28)42-2/h7-10,15-18,21,23-24,35-36,38-40H,3-6,11-14,19-20,22,25-26H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant butyrylcholinesterase				J Med Chem 50: 4882-97 (2007) Article DOI: 10.1021/jm070559a BindingDB Entry DOI: 10.7270/Q218379R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50221906 (2,5-bis[6-(2-methoxybenzylamino)hexylamino]-[1,4]-...) Show SMILES COc1ccccc1CNCCCCCCNc1cc(O)c(cc1O)N=CCCCCCNCc1ccccc1OC |w:25.26| Show InChI InChI=1S/C34H48N4O4/c1-41-33-17-9-7-15-27(33)25-35-19-11-3-5-13-21-37-29-23-32(40)30(24-31(29)39)38-22-14-6-4-12-20-36-26-28-16-8-10-18-34(28)42-2/h7-10,15-18,21,23-24,35-36,38-40H,3-6,11-14,19-20,22,25-26H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant acetylcholinesterase				J Med Chem 50: 4882-97 (2007) Article DOI: 10.1021/jm070559a BindingDB Entry DOI: 10.7270/Q218379R
					More data for this Ligand-Target Pair