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BDBM50180989 1,12-Bis(trioctyl ammonium)dodecane dichloride::CHEMBL203361

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

InChI Key: InChIKey=GAGRXHWFIRZUOI-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50180989   
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)		BDBM50180989
PNG
(1,12-Bis(trioctyl ammonium)dodecane dichloride | C...)
Show SMILES CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC
Show InChI InChI=1S/C60H126N2/c1-7-13-19-25-37-45-53-61(54-46-38-26-20-14-8-2,55-47-39-27-21-15-9-3)59-51-43-35-33-31-32-34-36-44-52-60-62(56-48-40-28-22-16-10-4,57-49-41-29-23-17-11-5)58-50-42-30-24-18-12-6/h7-60H2,1-6H3/q+2
KEGG

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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)


Article DOI: 10.1021/jm0508843
BindingDB Entry DOI: 10.7270/Q2M61JT1
More data for this
Ligand-Target Pair