BDBM50064021 CHEMBL3401022

SMILES: COc1cc2oc(cc(=O)c2c(OC)c1OC)-c1cccc(OC(=O)N2CCN(Cc3ccccc3)CC2)c1

InChI Key: InChIKey=VNYJQDGWKMJGHL-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 = 50064021   

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 (Rattus norvegicus (rat))	BDBM50064021 (CHEMBL3401022) Show SMILES COc1cc2oc(cc(=O)c2c(OC)c1OC)-c1cccc(OC(=O)N2CCN(Cc3ccccc3)CC2)c1 Show InChI InChI=1S/C30H30N2O7/c1-35-26-18-25-27(29(37-3)28(26)36-2)23(33)17-24(39-25)21-10-7-11-22(16-21)38-30(34)32-14-12-31(13-15-32)19-20-8-5-4-6-9-20/h4-11,16-18H,12-15,19H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman method				Bioorg Med Chem 23: 668-80 (2015) Article DOI: 10.1016/j.bmc.2015.01.005 BindingDB Entry DOI: 10.7270/Q24T6M2R
					More data for this Ligand-Target Pair