BDBM50080204 CHEMBL3416518

SMILES: Cl.O=C1\C(COc2cc(OCc3ccccc3)ccc12)=C\c1ccc(OCCCN2CCOCC2)cc1

InChI Key: InChIKey=YFSIIKASDGECFM-LUINMZRLSA-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 = 50080204   

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))	BDBM50080204 (CHEMBL3416518) Show SMILES Cl.O=C1\C(COc2cc(OCc3ccccc3)ccc12)=C\c1ccc(OCCCN2CCOCC2)cc1 Show InChI InChI=1S/C30H31NO5.ClH/c32-30-25(19-23-7-9-26(10-8-23)34-16-4-13-31-14-17-33-18-15-31)22-36-29-20-27(11-12-28(29)30)35-21-24-5-2-1-3-6-24;/h1-3,5-12,19-20H,4,13-18,21-22H2;1H/b25-19+;	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medicinal Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE pre-incubated for 3 mins before acetylthiocholine substrate addition by Ellman's reagent based spectrophotometry				Eur J Med Chem 97: 181-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.055 BindingDB Entry DOI: 10.7270/Q2P84DM4
					More data for this Ligand-Target Pair