Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lethal factor' and Ligand = 'BDBM50329279'   

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)	BDBM50329279 ((2S,4R)-2-(2-(3-(4-fluorobenzyl)piperidin-1-yl)eth...) Show SMILES CO[C@H](C[C@H](CCN1CCCC(Cc2ccc(F)cc2)C1)C(=O)NO)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H32F2N2O3/c1-32-24(20-6-10-23(27)11-7-20)16-21(25(30)28-31)12-14-29-13-2-3-19(17-29)15-18-4-8-22(26)9-5-18/h4-11,19,21,24,31H,2-3,12-17H2,1H3,(H,28,30)/t19?,21-,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
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