BDBM50119776 1,11-di(2-isoquinoliniumyl)undecane; with dibromide ions::2,2'-(undecane-1,11-diyl)diisoquinolinium bromide::CHEMBL104613

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

InChI Key: InChIKey=ULIWBOHRWMGXPR-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 = 50119776   

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 (Rattus norvegicus (Rat))	BDBM50119776 (1,11-di(2-isoquinoliniumyl)undecane; with dibromid...) Show SMILES C(CCCCC[n+]1ccc2ccccc2c1)CCCCC[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C29H36N2/c1(2-4-6-12-20-30-22-18-26-14-8-10-16-28(26)24-30)3-5-7-13-21-31-23-19-27-15-9-11-17-29(27)25-31/h8-11,14-19,22-25H,1-7,12-13,20-21H2/q+2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.46E+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 protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50119776 (1,11-di(2-isoquinoliniumyl)undecane; with dibromid...) Show SMILES C(CCCCC[n+]1ccc2ccccc2c1)CCCCC[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C29H36N2/c1(2-4-6-12-20-30-22-18-26-14-8-10-16-28(26)24-30)3-5-7-13-21-31-23-19-27-15-9-11-17-29(27)25-31/h8-11,14-19,22-25H,1-7,12-13,20-21H2/q+2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.02E+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))	BDBM50119776 (1,11-di(2-isoquinoliniumyl)undecane; with dibromid...) Show SMILES C(CCCCC[n+]1ccc2ccccc2c1)CCCCC[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C29H36N2/c1(2-4-6-12-20-30-22-18-26-14-8-10-16-28(26)24-30)3-5-7-13-21-31-23-19-27-15-9-11-17-29(27)25-31/h8-11,14-19,22-25H,1-7,12-13,20-21H2/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	100	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
Cholinesterases (Homo sapiens (Human))	BDBM50119776 (1,11-di(2-isoquinoliniumyl)undecane; with dibromid...) Show SMILES C(CCCCC[n+]1ccc2ccccc2c1)CCCCC[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C29H36N2/c1(2-4-6-12-20-30-22-18-26-14-8-10-16-28(26)24-30)3-5-7-13-21-31-23-19-27-15-9-11-17-29(27)25-31/h8-11,14-19,22-25H,1-7,12-13,20-21H2/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	9.00E+3	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