BDBM50052211 CHEMBL3318399

SMILES: [Cl-].Clc1cccc(Cl)c1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1

InChI Key: InChIKey=PGGNIPYBKWGQBH-UHFFFAOYSA-O

Data: 2 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 2 hits for monomerid = 50052211   

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
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50052211 (CHEMBL3318399) Show SMILES [Cl-].Clc1cccc(Cl)c1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C21H14Cl2N2O/c22-18-5-3-6-19(23)17(18)13-25-10-8-14(9-11-25)12-16-15-4-1-2-7-20(15)24-21(16)26/h1-12H,13H2/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yazd University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide substrate by Ellman method based spectrophotometry				Eur J Med Chem 84: 375-81 (2014) Article DOI: 10.1016/j.ejmech.2014.01.017 BindingDB Entry DOI: 10.7270/Q2H996T1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50052211 (CHEMBL3318399) Show SMILES [Cl-].Clc1cccc(Cl)c1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C21H14Cl2N2O/c22-18-5-3-6-19(23)17(18)13-25-10-8-14(9-11-25)12-16-15-4-1-2-7-20(15)24-21(16)26/h1-12H,13H2/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Yazd University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry				Eur J Med Chem 84: 375-81 (2014) Article DOI: 10.1016/j.ejmech.2014.01.017 BindingDB Entry DOI: 10.7270/Q2H996T1
					More data for this Ligand-Target Pair