BDBM50444738 CHEMBL3099028

SMILES COc1ccc2[nH]c(cc2c1)C(=O)Nc1ccc2nc(C)cc(N)c2c1

InChI Key InChIKey=LFUWVWQSTXWMLN-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50444738   

TargetBotulinum neurotoxin type A(Clostridium botulinum)
Microbiotix

Curated by ChEMBL
LigandPNGBDBM50444738(CHEMBL3099028)
Affinity DataIC50: 3.50E+4nMAssay Description:Inhibition of Clostridium bolulinum BoNT/A assessed as cleavage of MOCAc-Lys-Lys-Val-Tyr-Pro-Tyr-Pro-Met-Glu-Lys(Dnp)-NH2 after 40 mins by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetLethal factor(Bacillus anthracis)
Microbiotix

Curated by ChEMBL
LigandPNGBDBM50444738(CHEMBL3099028)
Affinity DataIC50: 4.40E+4nMAssay Description:Inhibition of Bacillus anthracis lethal factor assessed as MCA-KKVYPYPME[dnp]K amide cleavage after 30 mins by fluorescence plate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed