BDBM50534620 CHEMBL4535870

SMILES: O=c1cc(OCCCN2CCN(CC2)c2ccccn2)c2ccccc2o1

InChI Key: InChIKey=PFBJAGGQHQVUTL-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 = 50534620   

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))	BDBM50534620 (CHEMBL4535870) Show SMILES O=c1cc(OCCCN2CCN(CC2)c2ccccn2)c2ccccc2o1 Show InChI InChI=1S/C21H23N3O3/c25-21-16-19(17-6-1-2-7-18(17)27-21)26-15-5-10-23-11-13-24(14-12-23)20-8-3-4-9-22-20/h1-4,6-9,16H,5,10-15H2	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.61E+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