BDBM50157716 CHEMBL3786817

SMILES: CCN(CCCNC(=O)COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1)Cc1ccccc1OC

InChI Key: InChIKey=XZVHAKZSJNIPNI-VAWYXSNFSA-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 = 50157716   

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))	BDBM50157716 (CHEMBL3786817) Show SMILES CCN(CCCNC(=O)COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1)Cc1ccccc1OC Show InChI InChI=1S/C31H38N2O5/c1-5-33(22-26-9-6-7-10-30(26)37-4)18-8-17-32-31(34)23-38-27-15-13-24(14-16-27)11-12-25-19-28(35-2)21-29(20-25)36-3/h6-7,9-16,19-21H,5,8,17-18,22-23H2,1-4H3,(H,32,34)/b12-11+	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus acetylcholinesterase using acetylthiocholine iodide substrate after 15 mins by spectrophotometric method				Bioorg Med Chem Lett 26: 2035-9 (2016) BindingDB Entry DOI: 10.7270/Q29C70BB
					More data for this Ligand-Target Pair