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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

Similars

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)

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

Similars

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...


Citation and Details
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)