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BDBM50340770 (S)-6-(4-fluoro-3-methylbenzylamino)-2-((R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl)-N-hydroxyhexanamide::CHEMBL1760004

SMILES: CO[C@H](C[C@H](CCCCNCc1ccc(F)c(C)c1)C(=O)NO)c1ccc(F)c(C)c1

InChI Key: InChIKey=OMWQZUDLTDAAHM-NZQKXSOJSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50340770   
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)		BDBM50340770
PNG
((S)-6-(4-fluoro-3-methylbenzylamino)-2-((R)-2-(4-f...)
Show SMILES CO[C@H](C[C@H](CCCCNCc1ccc(F)c(C)c1)C(=O)NO)c1ccc(F)c(C)c1 |r|
Show InChI InChI=1S/C24H32F2N2O3/c1-16-12-18(7-9-21(16)25)15-27-11-5-4-6-20(24(29)28-30)14-23(31-3)19-8-10-22(26)17(2)13-19/h7-10,12-13,20,23,27,30H,4-6,11,14-15H2,1-3H3,(H,28,29)/t20-,23+/m0/s1
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Similars
Article
PubMed
 1.30n/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 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