BDBM50447021 CHEMBL3116293

SMILES: CCCCCn1nc(OCc2ccc3ccccc3c2)c2cc(ccc12)[N+]([O-])=O

InChI Key: InChIKey=NVAPCERQXKPLTK-UHFFFAOYSA-N

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 = 50447021   

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))	BDBM50447021 (CHEMBL3116293) Show SMILES CCCCCn1nc(OCc2ccc3ccccc3c2)c2cc(ccc12)[N+]([O-])=O Show InChI InChI=1S/C23H23N3O3/c1-2-3-6-13-25-22-12-11-20(26(27)28)15-21(22)23(24-25)29-16-17-9-10-18-7-4-5-8-19(18)14-17/h4-5,7-12,14-15H,2-3,6,13,16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine as substrate by Ellman's method				Eur J Med Chem 73: 56-72 (2014) Article DOI: 10.1016/j.ejmech.2013.11.026 BindingDB Entry DOI: 10.7270/Q2474CC8
					More data for this Ligand-Target Pair