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BDBM50329263 (R)-2-(4-fluoro-3,5-dimethylphenylamino)-6-(2-fluorobenzylamino)-N-hydroxyhexanamide::CHEMBL1269887

SMILES: Cc1cc(N[C@H](CCCCNCc2ccccc2F)C(=O)NO)cc(C)c1F

InChI Key: InChIKey=FNHPGQNSIIVICG-LJQANCHMSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50329263   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Antrax lethal toxin


(Bacillus anthracis)
BDBM50329263
PNG
((R)-2-(4-fluoro-3,5-dimethylphenylamino)-6-(2-fluo...)
Show SMILES Cc1cc(N[C@H](CCCCNCc2ccccc2F)C(=O)NO)cc(C)c1F |r|
Show InChI InChI=1S/C21H27F2N3O2/c1-14-11-17(12-15(2)20(14)23)25-19(21(27)26-28)9-5-6-10-24-13-16-7-3-4-8-18(16)22/h3-4,7-8,11-12,19,24-25,28H,5-6,9-10,13H2,1-2H3,(H,26,27)/t19-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.690n/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