BDBM50060533 1,12-Bis(trimethyl ammonium)dodecane dibromide::1,12-bis-(trimethyl ammonium) dodecane dibromide::CHEMBL119701::Dodecamethonium::N,N,N,N',N',N'-Hexamethyl-1,12-dodecane diaminium dibromide::N,N,N,N',N',N'-Hexamethyldodecane-1,12-diammoniumdibromide::N1,N1,N1,N12,N12,N12-hexamethyldodecane-1,12-diaminium bromide::dodecane-1,12-bis(trimethylammonium bromide)

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

InChI Key: InChIKey=PUOAFIKQSLOKQZ-UHFFFAOYSA-N

Data: 2 IC50  2 ITC

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 = 50060533   

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
Phospholipase B (Cryptococcus neoformans)	BDBM50060533 (1,12-Bis(trimethyl ammonium)dodecane dibromide | 1...) Show SMILES C[N+](C)(C)CCCCCCCCCCCC[N+](C)(C)C Show InChI InChI=1S/C18H42N2/c1-19(2,3)17-15-13-11-9-7-8-10-12-14-16-18-20(4,5)6/h7-18H2,1-6H3/q+2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid 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))	BDBM50060533 (1,12-Bis(trimethyl ammonium)dodecane dibromide | 1...) Show SMILES C[N+](C)(C)CCCCCCCCCCCC[N+](C)(C)C Show InChI InChI=1S/C18H42N2/c1-19(2,3)17-15-13-11-9-7-8-10-12-14-16-18-20(4,5)6/h7-18H2,1-6H3/q+2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93.2	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

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 50060533

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	BDBM50060533	CHEBI MMDB PC cid PC sid PDB	PC cid PC sid		-5.06	2.28	-7.40	3.58	n/a	35.1
Lund University					J Phys Chem B 112: 11310-6 (2008)
BDBM11	BDBM50060533	CHEBI KEGG MMDB PC cid PC sid PDB	PC cid PC sid		-4.63	-2.32	-2.32	3.29	n/a	35.1
Lund University					J Phys Chem B 112: 11310-6 (2008)