BDBM50060582 1,10-Bis(trimethyl ammonium)decane dibromide::1,10-bis-(trimethyl ammonium) decane dibromide::CHEMBL1134::DECAMETHONIUM::DECAMETHONIUM BROMIDE::Decamethonium Iodide::N,N,N'',N''-Tetramethyl-decane-1,10-diammonium; dibromide::N,N,N,N'',N'',N''-Hexamethyldecane-1,10-diammoniumdibromide::Syncurine::decane-1,10-bis(trimethylammonium bromide)

SMILES: C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C

InChI Key: InChIKey=MTCUAOILFDZKCO-UHFFFAOYSA-N

Data: 15 KI  5 IC50  2 ITC

PDB links: 7 PDB IDs match this monomer.

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 20 hits for monomerid = 50060582   

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
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50060582 (1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...) Show SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by PDSP Ki Database									J Pharmacol Exp Ther 284: 500-7 (1998) BindingDB Entry DOI: 10.7270/Q2HX1B6S
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50060582 (1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...) Show SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	460	-8.64	n/a	n/a	n/a	n/a	n/a	7.0	25
Mayo Clinic College of Medicine					Assay Description Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations we...				Biochemistry 52: 7486-99 (2013) Article DOI: 10.1021/bi401043w BindingDB Entry DOI: 10.7270/Q24X56GT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50060582 (1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...) Show SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by PDSP Ki Database									Mol Pharmacol 53: 950-62 (1998) BindingDB Entry DOI: 10.7270/Q2B856PT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50060582 (1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...) Show SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	962	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by PDSP Ki Database									J Pharmacol Exp Ther 276: 289-97 (1996) BindingDB Entry DOI: 10.7270/Q2GM85T1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50060582 (1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...) Show SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Barrow Neurological Institute Curated by PDSP Ki Database									Mol Pharmacol 64: 1283-94 (2003) Article DOI: 10.1124/mol.64.6.1283 BindingDB Entry DOI: 10.7270/Q2GF0S2V
					More data for this Ligand-Target Pair
n-AChR (RAT)	BDBM50060582 (1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...) Show SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2	GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	3.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. J. Reynolds Tobacco Company Curated by PDSP Ki Database									Mol Pharmacol 29: 448-54 (1986) BindingDB Entry DOI: 10.7270/Q269722Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50060582 (1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...) Show SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity to mouse AChE				J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat))	BDBM50060582 (1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...) Show SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	5.73E+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
Cholinergic, Nicotinic Alpha6Beta4 (Chick)	BDBM50060582 (1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...) Show SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2	PDB GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by PDSP Ki Database									Mol Pharmacol 63: 1329-37 (2003) Article DOI: 10.1124/mol.63.6.1329 BindingDB Entry DOI: 10.7270/Q29W0D27
					More data for this Ligand-Target Pair
Cholinergic, Nicotinic Alpha6Beta2 (Chick)	BDBM50060582 (1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...) Show SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2	GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by PDSP Ki Database									Mol Pharmacol 63: 1329-37 (2003) Article DOI: 10.1124/mol.63.6.1329 BindingDB Entry DOI: 10.7270/Q29W0D27
					More data for this Ligand-Target Pair
Cholinergic, Nicotinic Alpha6 (Chick)	BDBM50060582 (1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...) Show SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by PDSP Ki Database									Mol Pharmacol 63: 1329-37 (2003) Article DOI: 10.1124/mol.63.6.1329 BindingDB Entry DOI: 10.7270/Q29W0D27
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human))	BDBM50060582 (1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...) Show SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by PDSP Ki Database									Mol Pharmacol 53: 950-62 (1998) BindingDB Entry DOI: 10.7270/Q2B856PT
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50060582 (1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...) Show SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 81: 4983-7 (1984) Article DOI: 10.1073/pnas.81.15.4983 BindingDB Entry DOI: 10.7270/Q2JM284N
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50060582 (1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...) Show SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	>1.00E+5	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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50060582 (1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...) Show SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	6.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibition of human AChE				J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phospholipase B (Cryptococcus neoformans)	BDBM50060582 (1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...) Show SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of Cryptococccus neoformans H99 PLB1activity				J Med Chem 49: 811-6 (2006) Article DOI: 10.1021/jm0508843 BindingDB Entry DOI: 10.7270/Q2M61JT1
					More data for this Ligand-Target Pair
Acetylcholinesterase (AChE) (Torpedo marmorata (Marbled electric ray))	BDBM50060582 (1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...) Show SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	4.0	25
Université Louis Pasteur					Assay Description The inhibitory activity of the equilibrated mixtures was determined. The activity of AChE was monitored by following the linear change in absorbance...				Chembiochem 2: 438-44 (2001) Article DOI: 10.1002/1439-7633(20010601)2 BindingDB Entry DOI: 10.7270/Q2J964W8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H3 receptor (Homo sapiens (Human))	BDBM50060582 (1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...) Show SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of histone H3 receptor				Bioorg Med Chem 16: 2968-73 (2008) Article DOI: 10.1016/j.bmc.2007.12.048 BindingDB Entry DOI: 10.7270/Q27S7PMQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50060582 (1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...) Show SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of AChE				Bioorg Med Chem 16: 2968-73 (2008) Article DOI: 10.1016/j.bmc.2007.12.048 BindingDB Entry DOI: 10.7270/Q27S7PMQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50060582 (1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...) Show SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles Curated by ChEMBL					Assay Description Inhibition of acetylcholine esterase (unknown origin)				Bioorg Med Chem 22: 4474-89 (2014) Article DOI: 10.1016/j.bmc.2014.04.019 BindingDB Entry DOI: 10.7270/Q29K4CW0
					More data for this Ligand-Target Pair				3D Structure (crystal)

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 50060582

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
BDBM4	BDBM50060582	CHEBI MMDB PC cid PC sid PDB	DrugBank KEGG PC cid PC sid PDB		-4.06	1.84	-5.97	2.88	n/a	35.1
Lund University					J Phys Chem B 112: 11310-6 (2008)
BDBM11	BDBM50060582	CHEBI KEGG MMDB PC cid PC sid PDB	DrugBank KEGG PC cid PC sid PDB		-3.01	-1.88	-1.12	2.14	n/a	35.1
Lund University					J Phys Chem B 112: 11310-6 (2008)