BDBM50444729 CHEMBL87699

SMILES Cc1cc(N)c2cc(NC(=O)CCc3ccccc3)ccc2n1

InChI Key InChIKey=CANDCUWSRJILKW-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50444729   

TargetLethal factor(Bacillus anthracis)
Microbiotix

Curated by ChEMBL
LigandPNGBDBM50444729(CHEMBL87699)
Affinity DataIC50: 1.00E+5nMAssay 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
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Microbiotix

Curated by ChEMBL
LigandPNGBDBM50444729(CHEMBL87699)
Affinity DataIC50: 1.00E+5nMAssay 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
TargetC5a anaphylatoxin chemotactic receptor 1(Human)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50444729(CHEMBL87699)
Affinity DataIC50: 3.27E+5nMAssay Description:Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/15/2019
Entry Details Article
PubMed