BDBM50524423 CHEMBL4456422

SMILES: COc1cc(cc(OC)c1OC)C(=O)NCCCCC\C=[N+](/[O-])C(C)(C)C

InChI Key: InChIKey=MZYJIEFDXWTJKL-UUYOSTAYSA-N

Data: 1 KI  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 2 hits for monomerid = 50524423   

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))	BDBM50524423 (CHEMBL4456422) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCC\C=[N+](/[O-])C(C)(C)C Show InChI InChI=1S/C20H32N2O5/c1-20(2,3)22(24)12-10-8-7-9-11-21-19(23)15-13-16(25-4)18(27-6)17(14-15)26-5/h12-14H,7-11H2,1-6H3,(H,21,23)/b22-12-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as inhibition constant using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substra...				Eur J Med Chem 174: 116-129 (2019) Article DOI: 10.1016/j.ejmech.2019.04.026
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50524423 (CHEMBL4456422) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCCCCC\C=[N+](/[O-])C(C)(C)C Show InChI InChI=1S/C20H32N2O5/c1-20(2,3)22(24)12-10-8-7-9-11-21-19(23)15-13-16(25-4)18(27-6)17(14-15)26-5/h12-14H,7-11H2,1-6H3,(H,21,23)/b22-12-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured every minute...				Eur J Med Chem 174: 116-129 (2019) Article DOI: 10.1016/j.ejmech.2019.04.026
					More data for this Ligand-Target Pair