BDBM50052207 CHEMBL3318393

SMILES: [Cl-].Cc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1

InChI Key: InChIKey=ZRCHAWWRHSDXJA-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 = 50052207   

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))	BDBM50052207 (CHEMBL3318393) Show SMILES [Cl-].Cc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C22H18N2O/c1-16-6-2-3-7-18(16)15-24-12-10-17(11-13-24)14-20-19-8-4-5-9-21(19)23-22(20)25/h2-14H,15H2,1H3/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	887	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))	BDBM50052207 (CHEMBL3318393) Show SMILES [Cl-].Cc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C22H18N2O/c1-16-6-2-3-7-18(16)15-24-12-10-17(11-13-24)14-20-19-8-4-5-9-21(19)23-22(20)25/h2-14H,15H2,1H3/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	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