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BDBM50059899 (2-Heptylsulfanylcarbonyloxy-ethyl)-trimethyl-ammonium; chloride::CHEMBL102226

SMILES: CCCCCCCSC(=O)OCC[N+](C)(C)C

InChI Key: InChIKey=XMVIJBDXRKNDBR-UHFFFAOYSA-N

Data: 3 KI 3 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50059899
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Acetylcholinesterase (Bos taurus (bovine))	BDBM50059899 ((2-Heptylsulfanylcarbonyloxy-ethyl)-trimethyl-ammo...) Show SMILES CCCCCCCSC(=O)OCC[N+](C)(C)C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	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
University of North Texas Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50059899 ((2-Heptylsulfanylcarbonyloxy-ethyl)-trimethyl-ammo...) Show SMILES CCCCCCCSC(=O)OCC[N+](C)(C)C Show InChI	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+4	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 human RBC				J Med Chem 40: 3009-13 (1997) Article DOI: 10.1021/jm970141k BindingDB Entry DOI: 10.7270/Q2MP52D6
University of North Texas Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50059899 ((2-Heptylsulfanylcarbonyloxy-ethyl)-trimethyl-ammo...) Show SMILES CCCCCCCSC(=O)OCC[N+](C)(C)C Show InChI	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	4.00E+4	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
University of North Texas Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50059899 ((2-Heptylsulfanylcarbonyloxy-ethyl)-trimethyl-ammo...) Show SMILES CCCCCCCSC(=O)OCC[N+](C)(C)C Show InChI	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+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 of calf forebrain				J Med Chem 40: 3009-13 (1997) Article DOI: 10.1021/jm970141k BindingDB Entry DOI: 10.7270/Q2MP52D6
University of North Texas Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50059899 ((2-Heptylsulfanylcarbonyloxy-ethyl)-trimethyl-ammo...) Show SMILES CCCCCCCSC(=O)OCC[N+](C)(C)C Show InChI	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 from human red blood cells				J Med Chem 40: 3009-13 (1997) Article DOI: 10.1021/jm970141k BindingDB Entry DOI: 10.7270/Q2MP52D6
University of North Texas Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50059899 ((2-Heptylsulfanylcarbonyloxy-ethyl)-trimethyl-ammo...) Show SMILES CCCCCCCSC(=O)OCC[N+](C)(C)C Show InChI	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+5	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
University of North Texas Curated by ChEMBL					More data for this Ligand-Target Pair