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BDBM50329262 (R)-2-(4-fluoro-3,5-dimethylphenylamino)-6-(3-(4-fluoro-3-methylphenyl)ureido)-N-hydroxyhexanamide::CHEMBL1269886

SMILES: Cc1cc(NC(=O)NCCCC[C@@H](Nc2cc(C)c(F)c(C)c2)C(=O)NO)ccc1F

InChI Key: InChIKey=YSGOTQDWSQSGFJ-LJQANCHMSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50329262   
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)		BDBM50329262
PNG
((R)-2-(4-fluoro-3,5-dimethylphenylamino)-6-(3-(4-f...)
Show SMILES Cc1cc(NC(=O)NCCCC[C@@H](Nc2cc(C)c(F)c(C)c2)C(=O)NO)ccc1F |r|
Show InChI InChI=1S/C22H28F2N4O3/c1-13-10-16(7-8-18(13)23)27-22(30)25-9-5-4-6-19(21(29)28-31)26-17-11-14(2)20(24)15(3)12-17/h7-8,10-12,19,26,31H,4-6,9H2,1-3H3,(H,28,29)(H2,25,27,30)/t19-/m1/s1
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UniProtKB/SwissProt
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B.MOAD
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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 9.30n/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