BDBM50117589 1-Benzyl-4-[(5,6-dimethoxy-1-oxo-indan-2-yl)-hydroxy-methyl]-1-methyl-piperidinium::CHEMBL87883
SMILES: COc1cc2CC(C(O)C3CC[N+](C)(Cc4ccccc4)CC3)C(=O)c2cc1OC
InChI Key: InChIKey=IBATXZHEHNSLNL-UHFFFAOYSA-N
Data: 1 EC50
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)) | BDBM50117589 (1-Benzyl-4-[(5,6-dimethoxy-1-oxo-indan-2-yl)-hydro...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 1.44E+3 | n/a | n/a | n/a | n/a |
Organon Laboratories Ltd. Curated by ChEMBL | Assay Description In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm. | Bioorg Med Chem Lett 12: 2565-8 (2002) BindingDB Entry DOI: 10.7270/Q2CZ37Q4 | |||||||||||
More data for this Ligand-Target Pair |