BDBM50131772 CHEMBL3633524

SMILES: [Br-].O=C(\C=C\c1ccc[n+](Cc2ccccc2)c1)c1cc2ccccc2o1

InChI Key: InChIKey=XTHCFMXESYJGAY-UEIGIMKUSA-M

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 = 50131772   

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 (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50131772 (CHEMBL3633524) Show SMILES [Br-].O=C(\C=C\c1ccc[n+](Cc2ccccc2)c1)c1cc2ccccc2o1 Show InChI InChI=1S/C23H18NO2.BrH/c25-21(23-15-20-10-4-5-11-22(20)26-23)13-12-19-9-6-14-24(17-19)16-18-7-2-1-3-8-18;/h1-15,17H,16H2;1H/q+1;/p-1/b13-12+;	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Alzahra University Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE (type VI-S) using acetylthiocholine iodide as substrate assessed as 5-thio-2-nitrobenzoate anion formation pre...				Eur J Med Chem 103: 361-9 (2015) BindingDB Entry DOI: 10.7270/Q2XK8HC1
					More data for this Ligand-Target Pair