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SMILES: COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCCCCCCCCN(C)C

InChI Key: InChIKey=YCMQYVCSBIXFBB-CZIZESTLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50232309   

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))	BDBM50232309 (CHEMBL4086323) Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCCCCCCCCN(C)C Show InChI InChI=1S/C28H40N2O3/c1-30(2)21-13-8-6-4-5-7-9-14-22-33-26-19-17-24(23-27(26)32-3)18-20-28(31)29-25-15-11-10-12-16-25/h10-12,15-20,23H,4-9,13-14,21-22H2,1-3H3,(H,29,31)/b20-18+	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	9.90	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate after 25 mins by Ellmann method				Eur J Med Chem 126: 810-822 (2017) BindingDB Entry DOI: 10.7270/Q2HH6N9M
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50232309 (CHEMBL4086323) Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCCCCCCCCN(C)C Show InChI InChI=1S/C28H40N2O3/c1-30(2)21-13-8-6-4-5-7-9-14-22-33-26-19-17-24(23-27(26)32-3)18-20-28(31)29-25-15-11-10-12-16-25/h10-12,15-20,23H,4-9,13-14,21-22H2,1-3H3,(H,29,31)/b20-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of butyrylcholinesterase (unknown origin) using butyrylthiocholine iodide as substrate after 25 mins by Ellmann method				Eur J Med Chem 126: 810-822 (2017) BindingDB Entry DOI: 10.7270/Q2HH6N9M
					More data for this Ligand-Target Pair