BDBM50221933 2,5-bis{6-[(2-methoxybenzyl)methylamino]hexylamino}-[1,4]-benzoquinone::CHEMBL242191

SMILES: COc1ccccc1CN(C)CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(C)Cc1ccccc1OC

InChI Key: InChIKey=RWDXPDXXFWLVLM-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 = 50221933   

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))	BDBM50221933 (2,5-bis{6-[(2-methoxybenzyl)methylamino]hexylamino...) Show SMILES COc1ccccc1CN(C)CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(C)Cc1ccccc1OC |w:26.27| Show InChI InChI=1S/C36H52N4O4/c1-39(27-29-17-9-11-19-35(29)43-3)23-15-7-5-13-21-37-31-25-34(42)32(26-33(31)41)38-22-14-6-8-16-24-40(2)28-30-18-10-12-20-36(30)44-4/h9-12,17-21,25-26,38,41-42H,5-8,13-16,22-24,27-28H2,1-4H3	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	78	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))	BDBM50221933 (2,5-bis{6-[(2-methoxybenzyl)methylamino]hexylamino...) Show SMILES COc1ccccc1CN(C)CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(C)Cc1ccccc1OC |w:26.27| Show InChI InChI=1S/C36H52N4O4/c1-39(27-29-17-9-11-19-35(29)43-3)23-15-7-5-13-21-37-31-25-34(42)32(26-33(31)41)38-22-14-6-8-16-24-40(2)28-30-18-10-12-20-36(30)44-4/h9-12,17-21,25-26,38,41-42H,5-8,13-16,22-24,27-28H2,1-4H3	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	5.11E+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