BDBM50040205 CHEMBL3359480

SMILES: Cl.COc1ccc(OC)c(\C=C2/Oc3cc(OCCN4CCCC4)ccc3C2=O)c1

InChI Key: InChIKey=UGJKJCCMAUWUTO-YDHFHHHVSA-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 = 50040205   

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))	BDBM50040205 (CHEMBL3359480) Show SMILES Cl.COc1ccc(OC)c(\C=C2/Oc3cc(OCCN4CCCC4)ccc3C2=O)c1 Show InChI InChI=1S/C23H25NO5.ClH/c1-26-17-6-8-20(27-2)16(13-17)14-22-23(25)19-7-5-18(15-21(19)29-22)28-12-11-24-9-3-4-10-24;/h5-8,13-15H,3-4,9-12H2,1-2H3;1H/b22-14-;	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...				Bioorg Med Chem 23: 231-40 (2014) Article DOI: 10.1016/j.bmc.2014.11.004 BindingDB Entry DOI: 10.7270/Q2V126FS
					More data for this Ligand-Target Pair