BDBM50117576 1-Benzyl-4-[3-(6-methoxy-naphthalen-2-yl)-3-oxo-propyl]-1-methyl-piperidinium::CHEMBL87823
SMILES: COc1ccc2cc(ccc2c1)C(=O)CCC1CC[N+](C)(Cc2ccccc2)CC1
InChI Key: InChIKey=HGNLDJVZZAVQMR-UHFFFAOYSA-N
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 |
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Acetylcholinesterase (Homo sapiens (Human)) | BDBM50117576 (1-Benzyl-4-[3-(6-methoxy-naphthalen-2-yl)-3-oxo-pr...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories Ltd. Curated by ChEMBL | Assay Description In vitro inhibition of human recombinant AChE. | Bioorg Med Chem Lett 12: 2565-8 (2002) BindingDB Entry DOI: 10.7270/Q2CZ37Q4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50117576 (1-Benzyl-4-[3-(6-methoxy-naphthalen-2-yl)-3-oxo-pr...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | n/a | n/a | 530 | 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 | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50117576 (1-Benzyl-4-[3-(6-methoxy-naphthalen-2-yl)-3-oxo-pr...) | 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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas Curated by ChEMBL | Assay Description Inhibitory activity against Acetylcholinesterase enzyme using human AChE assay | J Med Chem 47: 5492-500 (2004) Article DOI: 10.1021/jm049695v BindingDB Entry DOI: 10.7270/Q2765G3W | |||||||||||
More data for this Ligand-Target Pair |