BDBM50055171 (3-Acetoxy-2-methyl-phenyl)-trimethyl-ammonium::CHEMBL136719
SMILES: CC(=O)Oc1cccc(c1C)[N+](C)(C)C
InChI Key: InChIKey=ADCFWPUIUIMSJH-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)) | BDBM50055171 ((3-Acetoxy-2-methyl-phenyl)-trimethyl-ammonium | C...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard University Curated by ChEMBL | Assay Description Inhibition acetylcholinesterase (AChE) enzyme. | J Med Chem 40: 4360-71 (1998) Article DOI: 10.1021/jm970488n BindingDB Entry DOI: 10.7270/Q2BZ6784 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50055171 ((3-Acetoxy-2-methyl-phenyl)-trimethyl-ammonium | C...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Curated by ChEMBL | Assay Description Inhibitory activity against Acetylcholinesterase | J Med Chem 39: 5064-71 (1997) Article DOI: 10.1021/jm950771r BindingDB Entry DOI: 10.7270/Q2PZ59GC | |||||||||||
More data for this Ligand-Target Pair |