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BDBM50329258 (R)-4-fluoro-N-(5-(4-fluoro-3,5-dimethylphenylamino)-6-(hydroxyamino)-6-oxohexyl)-3-methylbenzamide::CHEMBL1271312

SMILES: Cc1cc(ccc1F)C(=O)NCCCC[C@@H](Nc1cc(C)c(F)c(C)c1)C(=O)NO

InChI Key: InChIKey=LWGNNSZGMFSGPT-LJQANCHMSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50329258   
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)		BDBM50329258
PNG
((R)-4-fluoro-N-(5-(4-fluoro-3,5-dimethylphenylamin...)
Show SMILES Cc1cc(ccc1F)C(=O)NCCCC[C@@H](Nc1cc(C)c(F)c(C)c1)C(=O)NO |r|
Show InChI InChI=1S/C22H27F2N3O3/c1-13-10-16(7-8-18(13)23)21(28)25-9-5-4-6-19(22(29)27-30)26-17-11-14(2)20(24)15(3)12-17/h7-8,10-12,19,26,30H,4-6,9H2,1-3H3,(H,25,28)(H,27,29)/t19-/m1/s1
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Similars
Article
PubMed
 7.30n/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