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BDBM50180984 1,12-Bis(tripentyl ammonium)dodecane dibromide::CHEMBL199718

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

InChI Key: InChIKey=KXVZJEBYWATSOD-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50180984   
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)		BDBM50180984
PNG
(1,12-Bis(tripentyl ammonium)dodecane dibromide | C...)
Show SMILES CCCCC[N+](CCCCC)(CCCCC)CCCCCCCCCCCC[N+](CCCCC)(CCCCC)CCCCC
Show InChI InChI=1S/C42H90N2/c1-7-13-27-35-43(36-28-14-8-2,37-29-15-9-3)41-33-25-23-21-19-20-22-24-26-34-42-44(38-30-16-10-4,39-31-17-11-5)40-32-18-12-6/h7-42H2,1-6H3/q+2
KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.50E+3n/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