BDBM50131766 CHEMBL3633861

SMILES: [Br-].Brc1ccc(C[n+]2cccc(\C=C\C(=O)c3cc4cc(Br)ccc4o3)c2)cc1

InChI Key: InChIKey=JEJPLWDPJJRILG-SZKNIZGXSA-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 = 50131766   

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...)	BDBM50131766 (CHEMBL3633861) Show SMILES [Br-].Brc1ccc(C[n+]2cccc(\C=C\C(=O)c3cc4cc(Br)ccc4o3)c2)cc1 Show InChI InChI=1S/C23H16Br2NO2.BrH/c24-19-6-3-17(4-7-19)15-26-11-1-2-16(14-26)5-9-21(27)23-13-18-12-20(25)8-10-22(18)28-23;/h1-14H,15H2;1H/q+1;/p-1/b9-5+;	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10E+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