BDBM50336124 1,5-Bis(isoquinolinium)-3-oxapent-1,5-diyl dibromide::CHEMBL1669488

SMILES: C(C[n+]1ccc2ccccc2c1)OCC[n+]1ccc2ccccc2c1

InChI Key: InChIKey=URGUKFUEHPNBAL-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50336124   

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
Cholinesterase (Homo sapiens (Human))	BDBM50336124 (1,5-Bis(isoquinolinium)-3-oxapent-1,5-diyl dibromi...) Show SMILES C(C[n+]1ccc2ccccc2c1)OCC[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C22H22N2O/c1-3-7-21-17-23(11-9-19(21)5-1)13-15-25-16-14-24-12-10-20-6-2-4-8-22(20)18-24/h1-12,17-18H,13-16H2/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human plasmatic BChE by Lineweaver-Burk plot analysis				Eur J Med Chem 46: 811-8 (2011) Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50336124 (1,5-Bis(isoquinolinium)-3-oxapent-1,5-diyl dibromi...) Show SMILES C(C[n+]1ccc2ccccc2c1)OCC[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C22H22N2O/c1-3-7-21-17-23(11-9-19(21)5-1)13-15-25-16-14-24-12-10-20-6-2-4-8-22(20)18-24/h1-12,17-18H,13-16H2/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.31E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by Lineweaver-Burk plot analysis				Eur J Med Chem 46: 811-8 (2011) Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D
					More data for this Ligand-Target Pair