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BDBM50329286 (2S,4R)-2-(2-(((4'-fluoro-3'-methylbiphenyl-4-yl)methyl)(methyl)amino)ethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide::CHEMBL1271004

SMILES: CO[C@H](C[C@H](CCN(C)Cc1ccc(cc1)-c1ccc(F)c(C)c1)C(=O)NO)c1ccc(F)cc1

InChI Key: InChIKey=ZHYVUKOWYCPYBC-RPLLCQBOSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50329286   
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)		BDBM50329286
PNG
((2S,4R)-2-(2-(((4'-fluoro-3'-methylbiphenyl-4-yl)m...)
Show SMILES CO[C@H](C[C@H](CCN(C)Cc1ccc(cc1)-c1ccc(F)c(C)c1)C(=O)NO)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C28H32F2N2O3/c1-19-16-23(10-13-26(19)30)21-6-4-20(5-7-21)18-32(2)15-14-24(28(33)31-34)17-27(35-3)22-8-11-25(29)12-9-22/h4-13,16,24,27,34H,14-15,17-18H2,1-3H3,(H,31,33)/t24-,27+/m0/s1
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Article
PubMed
 135n/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