BDBM50396128 CHEMBL2171320

SMILES: COc1cc(\C=C\C(=O)NCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCCCO[N+]([O-])=O

InChI Key: InChIKey=UDOAAZCRVRXHQR-HTXNQAPBSA-N

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 = 50396128   

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 (Electrophorus electricus (Electric eel))	BDBM50396128 (CHEMBL2171320) Show SMILES COc1cc(\C=C\C(=O)NCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCCCO[N+]([O-])=O Show InChI InChI=1S/C33H42N4O6/c1-41-31-24-25(16-18-30(31)42-22-10-2-3-11-23-43-37(39)40)17-19-32(38)34-20-8-9-21-35-33-26-12-4-6-14-28(26)36-29-15-7-5-13-27(29)33/h4,6,12,14,16-19,24H,2-3,5,7-11,13,15,20-23H2,1H3,(H,34,38)(H,35,36)/b19-17+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27.9	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method				J Med Chem 55: 4309-21 (2012) Article DOI: 10.1021/jm300106z BindingDB Entry DOI: 10.7270/Q21837N7
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50396128 (CHEMBL2171320) Show SMILES COc1cc(\C=C\C(=O)NCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCCCCO[N+]([O-])=O Show InChI InChI=1S/C33H42N4O6/c1-41-31-24-25(16-18-30(31)42-22-10-2-3-11-23-43-37(39)40)17-19-32(38)34-20-8-9-21-35-33-26-12-4-6-14-28(26)36-29-15-7-5-13-27(29)33/h4,6,12,14,16-19,24H,2-3,5,7-11,13,15,20-23H2,1H3,(H,34,38)(H,35,36)/b19-17+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.7	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method				J Med Chem 55: 4309-21 (2012) Article DOI: 10.1021/jm300106z BindingDB Entry DOI: 10.7270/Q21837N7
					More data for this Ligand-Target Pair