BDBM50119777 1,9-di(2-isoquinoliniumyl)nonane; with dibromide ions::2,2'-(nonane-1,9-diyl)diisoquinolinium bromide::CHEMBL104553

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

InChI Key: InChIKey=UTOPPHLSAAJWHX-UHFFFAOYSA-N

Data: 2 KI  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 4 hits for monomerid = 50119777   

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
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50119777 (1,9-di(2-isoquinoliniumyl)nonane; with dibromide i...) Show SMILES C(CCCC[n+]1ccc2ccccc2c1)CCCC[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C27H32N2/c1(2-4-10-18-28-20-16-24-12-6-8-14-26(24)22-28)3-5-11-19-29-21-17-25-13-7-9-15-27(25)23-29/h6-9,12-17,20-23H,1-5,10-11,18-19H2/q+2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding affinity nicotinic acetylcholine receptor alpha-7 was evaluated by its ability to inhibit [3H]methyllycaconitine ([3H]-MLA) binding to rat br...				Bioorg Med Chem Lett 12: 3067-71 (2002) BindingDB Entry DOI: 10.7270/Q2Q81DNR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50119777 (1,9-di(2-isoquinoliniumyl)nonane; with dibromide i...) Show SMILES C(CCCC[n+]1ccc2ccccc2c1)CCCC[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C27H32N2/c1(2-4-10-18-28-20-16-24-12-6-8-14-26(24)22-28)3-5-11-19-29-21-17-25-13-7-9-15-27(25)23-29/h6-9,12-17,20-23H,1-5,10-11,18-19H2/q+2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Binding affinity for nicotinic acetylcholine receptor alpha4-beta2 was evaluated by its ability to inhibit [3H]NIC binding to rat brain membranes				Bioorg Med Chem Lett 12: 3067-71 (2002) BindingDB Entry DOI: 10.7270/Q2Q81DNR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50119777 (1,9-di(2-isoquinoliniumyl)nonane; with dibromide i...) Show SMILES C(CCCC[n+]1ccc2ccccc2c1)CCCC[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C27H32N2/c1(2-4-10-18-28-20-16-24-12-6-8-14-26(24)22-28)3-5-11-19-29-21-17-25-13-7-9-15-27(25)23-29/h6-9,12-17,20-23H,1-5,10-11,18-19H2/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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
Cholinesterase (Homo sapiens (Human))	BDBM50119777 (1,9-di(2-isoquinoliniumyl)nonane; with dibromide i...) Show SMILES C(CCCC[n+]1ccc2ccccc2c1)CCCC[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C27H32N2/c1(2-4-10-18-28-20-16-24-12-6-8-14-26(24)22-28)3-5-11-19-29-21-17-25-13-7-9-15-27(25)23-29/h6-9,12-17,20-23H,1-5,10-11,18-19H2/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	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