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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 = 'BDBM50329268'   
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)
BDBM50329268
PNG
((R)-2-(4-fluoro-3,5-dimethylphenylamino)-N-hydroxy...)
Show SMILES COc1ccc(CNCCCC[C@@H](Nc2cc(C)c(F)c(C)c2)C(=O)NO)cc1 |r|
Show InChI InChI=1S/C22H30FN3O3/c1-15-12-18(13-16(2)21(15)23)25-20(22(27)26-28)6-4-5-11-24-14-17-7-9-19(29-3)10-8-17/h7-10,12-13,20,24-25,28H,4-6,11,14H2,1-3H3,(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
0.440n/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