BDBM50328688 CHEMBL1270548::S-(-)-7,8-Didehydro-10-O-demethylxylopinine trifluoroacetate

SMILES: COc1cc2C[C@H]3c4cc(OC)c(OC)cc4CC[N+]3=Cc2cc1O

InChI Key: InChIKey=CQJQKNXOVRQJAK-INIZCTEOSA-O

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 = 50328688   

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))	BDBM50328688 (CHEMBL1270548 | S-(-)-7,8-Didehydro-10-O-demethylx...) Show SMILES COc1cc2C[C@H]3c4cc(OC)c(OC)cc4CC[N+]3=Cc2cc1O |r,c:21| Show InChI InChI=1S/C20H21NO4/c1-23-18-9-13-6-16-15-10-20(25-3)19(24-2)8-12(15)4-5-21(16)11-14(13)7-17(18)22/h7-11,16H,4-6H2,1-3H3/p+1/t16-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				J Nat Prod (2010) Article DOI: 10.1021/np100247r BindingDB Entry DOI: 10.7270/Q2HH6M22
					More data for this Ligand-Target Pair