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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)
LigandTarget/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
pHTemp
°C
Phospholipase B


(Cryptococcus neoformans)
BDBM50060533
PNG
(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
Article
PubMed
n/an/a>2.50E+5n/an/an/an/an/an/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
PNG
(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
PubMed
n/an/a 93.2n/an/an/an/a4.025



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)


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 KpHTemp
°C
BDBM4
JPEG
BDBM50060533
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-5.062.28-7.403.58n/a35.1



Lund University





J Phys Chem B 112: 11310-6 (2008)

BDBM11
JPEG
BDBM50060533
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-4.63-2.32-2.323.29n/a35.1



Lund University





J Phys Chem B 112: 11310-6 (2008)