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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Antrax lethal toxin' and Ligand = 'BDBM50340759'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Antrax lethal toxin


(Bacillus anthracis)
BDBM50340759
PNG
((R)-6-(4-fluoro-3-methylbenzylamino)-2-(4-fluoro-3...)
Show SMILES Cc1cc(CNCCCC[C@@H](Nc2ccc(F)c(C)c2)C(=O)NO)ccc1F |r|
Show InChI InChI=1S/C21H27F2N3O2/c1-14-11-16(6-8-18(14)22)13-24-10-4-3-5-20(21(27)26-28)25-17-7-9-19(23)15(2)12-17/h6-9,11-12,20,24-25,28H,3-5,10,13H2,1-2H3,(H,26,27)/t20-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.620n/an/an/an/an/an/an/an/a



PanThera Biopharma, LLC

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis lethal factor assessed as proteolysis using MCA-KKVYPYPME-Dap(Dnp)-NH2 peptide substrate after 4 hrs by FRET assay


Bioorg Med Chem Lett 21: 2030-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.010
BindingDB Entry DOI: 10.7270/Q24M94VB
More data for this
Ligand-Target Pair