BDBM50131761 CHEMBL3633866

SMILES: [Br-].COc1cccc2cc(oc12)C(=O)\C=C\c1ccc[n+](Cc2ccc(Br)cc2)c1

InChI Key: InChIKey=KVRDDSMZFGKWGQ-NBYYMMLRSA-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 = 50131761   

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...)	BDBM50131761 (CHEMBL3633866) Show SMILES [Br-].COc1cccc2cc(oc12)C(=O)\C=C\c1ccc[n+](Cc2ccc(Br)cc2)c1 Show InChI InChI=1S/C24H19BrNO3.BrH/c1-28-22-6-2-5-19-14-23(29-24(19)22)21(27)12-9-17-4-3-13-26(15-17)16-18-7-10-20(25)11-8-18;/h2-15H,16H2,1H3;1H/q+1;/p-1/b12-9+;	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.07E+4	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