BDBM50221922 2,5-bis{6-[ethyl(2-methoxybenzyl)amino]hexylamino}-3,6-dimethyl-[1,4]-benzoquinone::CHEMBL243269
SMILES: CCN(CCCCCCNc1c(C)c(O)c(N=CCCCCCN(CC)Cc2ccccc2OC)c(C)c1O)Cc1ccccc1OC
InChI Key: InChIKey=KNOGHPGSFJJBGG-UHFFFAOYSA-N
Data: 2 IC50
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)) | BDBM50221922 (2,5-bis{6-[ethyl(2-methoxybenzyl)amino]hexylamino}...) | 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 | 9.5 | 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)) | BDBM50221922 (2,5-bis{6-[ethyl(2-methoxybenzyl)amino]hexylamino}...) | 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 | 462 | 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 |