BDBM50131764 CHEMBL3633863

SMILES: [Cl-].Clc1ccc(C[n+]2cccc(\C=C\C(=O)c3cc4cc(Br)ccc4o3)c2)cc1Cl

InChI Key: InChIKey=ABPKTQDQVZCRML-KQGICBIGSA-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 = 50131764   

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...)	BDBM50131764 (CHEMBL3633863) Show SMILES [Cl-].Clc1ccc(C[n+]2cccc(\C=C\C(=O)c3cc4cc(Br)ccc4o3)c2)cc1Cl Show InChI InChI=1S/C23H15BrCl2NO2.ClH/c24-18-5-8-22-17(11-18)12-23(29-22)21(28)7-4-15-2-1-9-27(13-15)14-16-3-6-19(25)20(26)10-16;/h1-13H,14H2;1H/q+1;/p-1/b7-4+;	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	786	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