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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 = 'BDBM50329269'   
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)
BDBM50329269
PNG
((R)-2-(4-fluoro-3,5-dimethylphenylamino)-N-hydroxy...)
Show SMILES Cc1cc(N[C@H](CCCCNCc2ccc(cc2)C(F)(F)F)C(=O)NO)cc(C)c1F |r|
Show InChI InChI=1S/C22H27F4N3O2/c1-14-11-18(12-15(2)20(14)23)28-19(21(30)29-31)5-3-4-10-27-13-16-6-8-17(9-7-16)22(24,25)26/h6-9,11-12,19,27-28,31H,3-5,10,13H2,1-2H3,(H,29,30)/t19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.470n/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 by FRET assay


Bioorg Med Chem Lett 20: 6850-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.058
BindingDB Entry DOI: 10.7270/Q2222V01
More data for this
Ligand-Target Pair