BDBM50156804 CHEMBL3792591

SMILES: COc1cc(\C=C\C(=O)NCCCCN(C)Cc2ccccc2)ccc1O

InChI Key: InChIKey=ZPXDWWWIXNMXOX-ACCUITESSA-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 = 50156804   

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 (Electrophorus electricus (Electric eel))	BDBM50156804 (CHEMBL3792591) Show SMILES COc1cc(\C=C\C(=O)NCCCCN(C)Cc2ccccc2)ccc1O Show InChI InChI=1S/C22H28N2O3/c1-24(17-19-8-4-3-5-9-19)15-7-6-14-23-22(26)13-11-18-10-12-20(25)21(16-18)27-2/h3-5,8-13,16,25H,6-7,14-15,17H2,1-2H3,(H,23,26)/b13-11+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanyang Normal University Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE pre-incubated for 15 mins before acetylthiocholine chloride substrate addition by Ellman assay				Bioorg Med Chem Lett 26: 2539-43 (2016) BindingDB Entry DOI: 10.7270/Q2QN68P7
					More data for this Ligand-Target Pair