Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lethal factor' and Ligand = 'BDBM8489'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Lethal factor (Bacillus anthracis)	BDBM8489 ((2R)-N-hydroxy-2-[(4-hydroxy-3-methylbenzene)sulfo...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(O)c(C)c1)C(=O)NO |r| Show InChI InChI=1S/C12H18N2O5S/c1-7(2)11(12(16)13-17)14-20(18,19)9-4-5-10(15)8(3)6-9/h4-7,11,14-15,17H,1-3H3,(H,13,16)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description The assay was performed in a 96-well plate, each well contained substrate peptide, LF, and the test compound. The C-terminally fluorophore of substra...				Bioorg Med Chem Lett 16: 964-8 (2006) Article DOI: 10.1016/j.bmcl.2005.10.088 BindingDB Entry DOI: 10.7270/Q2K35RV4
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