BDBM50073217 CHEMBL3408242

SMILES: [Br-].[O-][N+](=O)c1ccccc1C[n+]1ccc(cc1)-c1cc2ccccc2o1

InChI Key: InChIKey=UTKUZBTZWUTFSL-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 = 50073217   

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))	BDBM50073217 (CHEMBL3408242) Show SMILES [Br-].[O-][N+](=O)c1ccccc1C[n+]1ccc(cc1)-c1cc2ccccc2o1 Show InChI InChI=1S/C20H15N2O3/c23-22(24)18-7-3-1-6-17(18)14-21-11-9-15(10-12-21)20-13-16-5-2-4-8-19(16)25-20/h1-13H,14H2/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine substrate by Ellman's reagent based method				Eur J Med Chem 93: 196-201 (2015) Article DOI: 10.1016/j.ejmech.2015.02.009 BindingDB Entry DOI: 10.7270/Q2CF9RTS
					More data for this Ligand-Target Pair