BDBM50534616 CHEMBL4526265

SMILES: O=c1cc(OCCCNCCc2ccccc2)c2ccccc2o1

InChI Key: InChIKey=QYUKAXJTANCXEI-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 = 50534616   

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 (Mus musculus (mouse))	BDBM50534616 (CHEMBL4526265) Show SMILES O=c1cc(OCCCNCCc2ccccc2)c2ccccc2o1 Show InChI InChI=1S/C20H21NO3/c22-20-15-19(17-9-4-5-10-18(17)24-20)23-14-6-12-21-13-11-16-7-2-1-3-8-16/h1-5,7-10,15,21H,6,11-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Panjab University Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase in Albino LACA mouse brain homogenates using acetylthiocholine iodide as substrate measured for 2 mins by Ellman's...				Bioorg Med Chem 24: 4587-4599 (2016) Article DOI: 10.1016/j.bmc.2016.07.061
					More data for this Ligand-Target Pair