BDBM50291636 CHEMBL4169938

SMILES: [Br-].COc1cc2CCC(Cc3cc[n+](Cc4cccc(Cl)c4)cc3C(C)=O)C(=O)c2cc1OC

InChI Key: InChIKey=LNCFKOYQLDWILX-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 = 50291636   

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))	BDBM50291636 (CHEMBL4169938) Show SMILES [Br-].COc1cc2CCC(Cc3cc[n+](Cc4cccc(Cl)c4)cc3C(C)=O)C(=O)c2cc1OC Show InChI InChI=1S/C27H27ClNO4.BrH/c1-17(30)24-16-29(15-18-5-4-6-22(28)11-18)10-9-20(24)12-21-8-7-19-13-25(32-2)26(33-3)14-23(19)27(21)31;/h4-6,9-11,13-14,16,21H,7-8,12,15H2,1-3H3;1H/q+1;/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair