BDBM50238225 CHEMBL4060011

SMILES: [Br-].COc1cc2CC(Cc3cc[n+](Cc4ccccc4)cc3C(C)=O)C(=O)c2cc1OC

InChI Key: InChIKey=FPYNFUXPZOQTBN-UHFFFAOYSA-M

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 = 50238225   

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))	BDBM50238225 (CHEMBL4060011) Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4ccccc4)cc3C(C)=O)C(=O)c2cc1OC Show InChI InChI=1S/C26H26NO4.BrH/c1-17(28)23-16-27(15-18-7-5-4-6-8-18)10-9-19(23)11-21-12-20-13-24(30-2)25(31-3)14-22(20)26(21)29;/h4-10,13-14,16,21H,11-12,15H2,1-3H3;1H/q+1;/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ...				J Med Chem 60: 5909-5926 (2017) Article DOI: 10.1021/acs.jmedchem.7b00702 BindingDB Entry DOI: 10.7270/Q22V2JC5
					More data for this Ligand-Target Pair