BDBM50534617 CHEMBL4458241

SMILES: COc1ccc(CCNCCCOc2cc(=O)oc3ccccc23)cc1OC

InChI Key: InChIKey=INJDBADCPHQZED-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50534617   

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 (Mus musculus (mouse))	BDBM50534617 (CHEMBL4458241) Show SMILES COc1ccc(CCNCCCOc2cc(=O)oc3ccccc23)cc1OC Show InChI InChI=1S/C22H25NO5/c1-25-19-9-8-16(14-21(19)26-2)10-12-23-11-5-13-27-20-15-22(24)28-18-7-4-3-6-17(18)20/h3-4,6-9,14-15,23H,5,10-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase in Albino LACA mouse brain homogenates using acetylthiocholine iodide as substrate measured for 2 mins by Ellman's...				Bioorg Med Chem 24: 4587-4599 (2016) Article DOI: 10.1016/j.bmc.2016.07.061
					More data for this Ligand-Target Pair