BDBM50221912 2,5-bis{6-[ethyl(4-methoxybenzyl)amino]hexylamino}-[1,4]-benzoquinone::CHEMBL242661

SMILES: CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccc(OC)cc1)Cc1ccc(OC)cc1

InChI Key: InChIKey=IPURMMFTBFRFCM-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 = 50221912   

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))	BDBM50221912 (2,5-bis{6-[ethyl(4-methoxybenzyl)amino]hexylamino}...) Show SMILES CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccc(OC)cc1)Cc1ccc(OC)cc1 |w:18.18| Show InChI InChI=1S/C38H56N4O4/c1-5-41(29-31-15-19-33(45-3)20-16-31)25-13-9-7-11-23-39-35-27-38(44)36(28-37(35)43)40-24-12-8-10-14-26-42(6-2)30-32-17-21-34(46-4)22-18-32/h15-23,27-28,40,43-44H,5-14,24-26,29-30H2,1-4H3	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	51	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
Cholinesterases (Homo sapiens (Human))	BDBM50221912 (2,5-bis{6-[ethyl(4-methoxybenzyl)amino]hexylamino}...) Show SMILES CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccc(OC)cc1)Cc1ccc(OC)cc1 |w:18.18| Show InChI InChI=1S/C38H56N4O4/c1-5-41(29-31-15-19-33(45-3)20-16-31)25-13-9-7-11-23-39-35-27-38(44)36(28-37(35)43)40-24-12-8-10-14-26-42(6-2)30-32-17-21-34(46-4)22-18-32/h15-23,27-28,40,43-44H,5-14,24-26,29-30H2,1-4H3	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	2.39E+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