BDBM50467512 CHEMBL4287962

SMILES: COc1ccc(NC(=O)c2coc3ccc(\C=C\C(O)=O)cc3c2=O)cc1

InChI Key: InChIKey=FNWAXDURVJXKPC-YCRREMRBSA-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 = 50467512   

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 (Homo sapiens (Human))	BDBM50467512 (CHEMBL4287962) Show SMILES COc1ccc(NC(=O)c2coc3ccc(\C=C\C(O)=O)cc3c2=O)cc1 Show InChI InChI=1S/C20H15NO6/c1-26-14-6-4-13(5-7-14)21-20(25)16-11-27-17-8-2-12(3-9-18(22)23)10-15(17)19(16)24/h2-11H,1H3,(H,21,25)(H,22,23)/b9-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition measured after 5 mins by El...				Eur J Med Chem 158: 781-800 (2018) Article DOI: 10.1016/j.ejmech.2018.07.056 BindingDB Entry DOI: 10.7270/Q2F192DM
					More data for this Ligand-Target Pair