Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Lethal factor' and Ligand = 'BDBM50329272'   

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)	BDBM50329272 ((R)-2-(4-fluoro-3,5-dimethylphenylamino)-6-(4-fluo...) Show SMILES Cc1cc(N[C@H](CCCCNCCc2ccc(F)cc2)C(=O)NO)cc(C)c1F |r| Show InChI InChI=1S/C22H29F2N3O2/c1-15-13-19(14-16(2)21(15)24)26-20(22(28)27-29)5-3-4-11-25-12-10-17-6-8-18(23)9-7-17/h6-9,13-14,20,25-26,29H,3-5,10-12H2,1-2H3,(H,27,28)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	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 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
Lethal factor (Bacillus anthracis)	BDBM50329272 ((R)-2-(4-fluoro-3,5-dimethylphenylamino)-6-(4-fluo...) Show SMILES Cc1cc(N[C@H](CCCCNCCc2ccc(F)cc2)C(=O)NO)cc(C)c1F |r| Show InChI InChI=1S/C22H29F2N3O2/c1-15-13-19(14-16(2)21(15)24)26-20(22(28)27-29)5-3-4-11-25-12-10-17-6-8-18(23)9-7-17/h6-9,13-14,20,25-26,29H,3-5,10-12H2,1-2H3,(H,27,28)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	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
					More data for this Ligand-Target Pair