BDBM50059903 CHEMBL103873::Trimethyl-(2-pentylsulfanylcarbonyloxy-ethyl)-ammonium; chloride
SMILES: CCCCCSC(=O)OCC[N+](C)(C)C
InChI Key: InChIKey=KDJIRJJIEGFPOG-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acetylcholinesterase (Bos taurus (bovine)) | BDBM50059903 (CHEMBL103873 | Trimethyl-(2-pentylsulfanylcarbonyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Texas Curated by ChEMBL | Assay Description Binding affinity against Acetylcholinesterase of purified calf forebrain (CFB) | J Med Chem 40: 3009-13 (1997) Article DOI: 10.1021/jm970141k BindingDB Entry DOI: 10.7270/Q2MP52D6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50059903 (CHEMBL103873 | Trimethyl-(2-pentylsulfanylcarbonyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Texas Curated by ChEMBL | Assay Description In vitro inhibition of Acetylcholinesterase Activity in octopus brain | J Med Chem 40: 3009-13 (1997) Article DOI: 10.1021/jm970141k BindingDB Entry DOI: 10.7270/Q2MP52D6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50059903 (CHEMBL103873 | Trimethyl-(2-pentylsulfanylcarbonyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Texas Curated by ChEMBL | Assay Description Binding affinity against Acetylcholinesterase of purified Octopus brain (OB) | J Med Chem 40: 3009-13 (1997) Article DOI: 10.1021/jm970141k BindingDB Entry DOI: 10.7270/Q2MP52D6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Bos taurus (bovine)) | BDBM50059903 (CHEMBL103873 | Trimethyl-(2-pentylsulfanylcarbonyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Texas Curated by ChEMBL | Assay Description Inhibition of Acetylcholinesterase activity of calf forebrain | J Med Chem 40: 3009-13 (1997) Article DOI: 10.1021/jm970141k BindingDB Entry DOI: 10.7270/Q2MP52D6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50059903 (CHEMBL103873 | Trimethyl-(2-pentylsulfanylcarbonyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Texas Curated by ChEMBL | Assay Description Inhibition of Acetylcholinesterase activity from octopus brain | J Med Chem 40: 3009-13 (1997) Article DOI: 10.1021/jm970141k BindingDB Entry DOI: 10.7270/Q2MP52D6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50059903 (CHEMBL103873 | Trimethyl-(2-pentylsulfanylcarbonyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Texas Curated by ChEMBL | Assay Description Inhibition of Acetylcholinesterase from human red blood cells | J Med Chem 40: 3009-13 (1997) Article DOI: 10.1021/jm970141k BindingDB Entry DOI: 10.7270/Q2MP52D6 | |||||||||||
More data for this Ligand-Target Pair |