BDBM50221926 2,5-bis{6-[ethyl(2-methoxybenzyl)amino]hexylamino}-3,6-difluoro-[1,4]-benzoquinone::CHEMBL243055
SMILES: CCN(CCCCCCNc1c(O)c(F)c(N=CCCCCCN(CC)Cc2ccccc2OC)c(O)c1F)Cc1ccccc1OC
InChI Key: InChIKey=SCRRNHJGHOBWGA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cholinesterase (Homo sapiens (Human)) | BDBM50221926 (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 | Article PubMed | n/a | n/a | 1.52E+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)) | BDBM50221926 (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 | Article PubMed | n/a | n/a | 5.20 | 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 |