BDBM50232218 CHEMBL4065799

SMILES: COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCN(C)C

InChI Key: InChIKey=DPQGNFXYASLNPM-ACCUITESSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50232218   

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
Cholinesterases (Homo sapiens (Human))	BDBM50232218 (CHEMBL4065799) Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCN(C)C Show InChI InChI=1S/C21H26N2O3/c1-23(2)14-7-15-26-19-12-10-17(16-20(19)25-3)11-13-21(24)22-18-8-5-4-6-9-18/h4-6,8-13,16H,7,14-15H2,1-3H3,(H,22,24)/b13-11+	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	20	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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50232218 (CHEMBL4065799) Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCN(C)C Show InChI InChI=1S/C21H26N2O3/c1-23(2)14-7-15-26-19-12-10-17(16-20(19)25-3)11-13-21(24)22-18-8-5-4-6-9-18/h4-6,8-13,16H,7,14-15H2,1-3H3,(H,22,24)/b13-11+	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	34	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