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BDBM50340769 (S)-2-(4-fluoro-3-methylbenzyl)-6-(4-fluoro-3-methylbenzylamino)-N-hydroxyhexanamide::CHEMBL1760449

SMILES: Cc1cc(CNCCCC[C@@H](Cc2ccc(F)c(C)c2)C(=O)NO)ccc1F

InChI Key: InChIKey=WQTHRWCRLJXXGF-IBGZPJMESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50340769   
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)		BDBM50340769
PNG
((S)-2-(4-fluoro-3-methylbenzyl)-6-(4-fluoro-3-meth...)
Show SMILES Cc1cc(CNCCCC[C@@H](Cc2ccc(F)c(C)c2)C(=O)NO)ccc1F |r|
Show InChI InChI=1S/C22H28F2N2O2/c1-15-11-17(6-8-20(15)23)13-19(22(27)26-28)5-3-4-10-25-14-18-7-9-21(24)16(2)12-18/h6-9,11-12,19,25,28H,3-5,10,13-14H2,1-2H3,(H,26,27)/t19-/m0/s1
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Article
PubMed
 1.20n/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