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SMILES: COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCCN1CCCCC1

InChI Key: InChIKey=GXMWXTXGYXFVDJ-FYWRMAATSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50232312   

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))	BDBM50232312 (CHEMBL4069385) Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCCN1CCCCC1 Show InChI InChI=1S/C25H32N2O3/c1-29-24-20-21(13-15-25(28)26-22-10-4-2-5-11-22)12-14-23(24)30-19-9-8-18-27-16-6-3-7-17-27/h2,4-5,10-15,20H,3,6-9,16-19H2,1H3,(H,26,28)/b15-13+	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	7.10	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))	BDBM50232312 (CHEMBL4069385) Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCCN1CCCCC1 Show InChI InChI=1S/C25H32N2O3/c1-29-24-20-21(13-15-25(28)26-22-10-4-2-5-11-22)12-14-23(24)30-19-9-8-18-27-16-6-3-7-17-27/h2,4-5,10-15,20H,3,6-9,16-19H2,1H3,(H,26,28)/b15-13+	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	5.70	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