Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50032441   

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)	BDBM50329261 ((R)-2-(4-fluoro-3,5-dimethylphenylamino)-6-(4-fluo...) Show SMILES Cc1cc(CNCCCC[C@@H](Nc2cc(C)c(F)c(C)c2)C(=O)NO)ccc1F |r| Show InChI InChI=1S/C22H29F2N3O2/c1-14-10-17(7-8-19(14)23)13-25-9-5-4-6-20(22(28)27-29)26-18-11-15(2)21(24)16(3)12-18/h7-8,10-12,20,25-26,29H,4-6,9,13H2,1-3H3,(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	0.0500	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
Lethal factor (Bacillus anthracis)	BDBM50329265 ((R)-2-(4-fluoro-3,5-dimethylphenylamino)-6-(4-fluo...) Show SMILES Cc1cc(N[C@H](CCCCNCc2ccc(F)cc2)C(=O)NO)cc(C)c1F |r| Show InChI InChI=1S/C21H27F2N3O2/c1-14-11-18(12-15(2)20(14)23)25-19(21(27)26-28)5-3-4-10-24-13-16-6-8-17(22)9-7-16/h6-9,11-12,19,24-25,28H,3-5,10,13H2,1-2H3,(H,26,27)/t19-/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	0.240	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
Lethal factor (Bacillus anthracis)	BDBM50329270 ((R)-2-(4-fluoro-3,5-dimethylphenylamino)-N-hydroxy...) Show SMILES Cc1cc(N[C@H](CCCCNCc2ccc(cc2)[N+]([O-])=O)C(=O)NO)cc(C)c1F |r| Show InChI InChI=1S/C21H27FN4O4/c1-14-11-17(12-15(2)20(14)22)24-19(21(27)25-28)5-3-4-10-23-13-16-6-8-18(9-7-16)26(29)30/h6-9,11-12,19,23-24,28H,3-5,10,13H2,1-2H3,(H,25,27)/t19-/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	0.300	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
Lethal factor (Bacillus anthracis)	BDBM50329267 ((R)-2-(4-fluoro-3,5-dimethylphenylamino)-N-hydroxy...) Show SMILES Cc1ccc(CNCCCC[C@@H](Nc2cc(C)c(F)c(C)c2)C(=O)NO)cc1 |r| Show InChI InChI=1S/C22H30FN3O2/c1-15-7-9-18(10-8-15)14-24-11-5-4-6-20(22(27)26-28)25-19-12-16(2)21(23)17(3)13-19/h7-10,12-13,20,24-25,28H,4-6,11,14H2,1-3H3,(H,26,27)/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	0.410	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
Lethal factor (Bacillus anthracis)	BDBM50329268 ((R)-2-(4-fluoro-3,5-dimethylphenylamino)-N-hydroxy...) Show SMILES COc1ccc(CNCCCC[C@@H](Nc2cc(C)c(F)c(C)c2)C(=O)NO)cc1 |r| Show InChI InChI=1S/C22H30FN3O3/c1-15-12-18(13-16(2)21(15)23)25-20(22(27)26-28)6-4-5-11-24-14-17-7-9-19(29-3)10-8-17/h7-10,12-13,20,24-25,28H,4-6,11,14H2,1-3H3,(H,26,27)/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	0.440	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
Lethal factor (Bacillus anthracis)	BDBM50329269 ((R)-2-(4-fluoro-3,5-dimethylphenylamino)-N-hydroxy...) Show SMILES Cc1cc(N[C@H](CCCCNCc2ccc(cc2)C(F)(F)F)C(=O)NO)cc(C)c1F |r| Show InChI InChI=1S/C22H27F4N3O2/c1-14-11-18(12-15(2)20(14)23)28-19(21(30)29-31)5-3-4-10-27-13-16-6-8-17(9-7-16)22(24,25)26/h6-9,11-12,19,27-28,31H,3-5,10,13H2,1-2H3,(H,29,30)/t19-/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	0.470	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
Lethal factor (Bacillus anthracis)	BDBM50329263 ((R)-2-(4-fluoro-3,5-dimethylphenylamino)-6-(2-fluo...) Show SMILES Cc1cc(N[C@H](CCCCNCc2ccccc2F)C(=O)NO)cc(C)c1F |r| Show InChI InChI=1S/C21H27F2N3O2/c1-14-11-17(12-15(2)20(14)23)25-19(21(27)26-28)9-5-6-10-24-13-16-7-3-4-8-18(16)22/h3-4,7-8,11-12,19,24-25,28H,5-6,9-10,13H2,1-2H3,(H,26,27)/t19-/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	0.690	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
Lethal factor (Bacillus anthracis)	BDBM50329264 ((R)-2-(4-fluoro-3,5-dimethylphenylamino)-6-(3-fluo...) Show SMILES Cc1cc(N[C@H](CCCCNCc2cccc(F)c2)C(=O)NO)cc(C)c1F |r| Show InChI InChI=1S/C21H27F2N3O2/c1-14-10-18(11-15(2)20(14)23)25-19(21(27)26-28)8-3-4-9-24-13-16-6-5-7-17(22)12-16/h5-7,10-12,19,24-25,28H,3-4,8-9,13H2,1-2H3,(H,26,27)/t19-/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	0.850	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
Lethal factor (Bacillus anthracis)	BDBM50329266 ((R)-6-(4-chlorobenzylamino)-2-(4-fluoro-3,5-dimeth...) Show SMILES Cc1cc(N[C@H](CCCCNCc2ccc(Cl)cc2)C(=O)NO)cc(C)c1F |r| Show InChI InChI=1S/C21H27ClFN3O2/c1-14-11-18(12-15(2)20(14)23)25-19(21(27)26-28)5-3-4-10-24-13-16-6-8-17(22)9-7-16/h6-9,11-12,19,24-25,28H,3-5,10,13H2,1-2H3,(H,26,27)/t19-/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	1.10	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
Lethal factor (Bacillus anthracis)	BDBM50329273 ((R)-2-(4-fluoro-3,5-dimethylphenylamino)-6-(3-(4-f...) Show SMILES Cc1cc(N[C@H](CCCCNCCCc2ccc(F)cc2)C(=O)NO)cc(C)c1F |r| Show InChI InChI=1S/C23H31F2N3O2/c1-16-14-20(15-17(2)22(16)25)27-21(23(29)28-30)7-3-4-12-26-13-5-6-18-8-10-19(24)11-9-18/h8-11,14-15,21,26-27,30H,3-7,12-13H2,1-2H3,(H,28,29)/t21-/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	1.30	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
Lethal factor (Bacillus anthracis)	BDBM50329271 ((R)-6-(4-tert-butylbenzylamino)-2-(4-fluoro-3,5-di...) Show SMILES Cc1cc(N[C@H](CCCCNCc2ccc(cc2)C(C)(C)C)C(=O)NO)cc(C)c1F |r| Show InChI InChI=1S/C25H36FN3O2/c1-17-14-21(15-18(2)23(17)26)28-22(24(30)29-31)8-6-7-13-27-16-19-9-11-20(12-10-19)25(3,4)5/h9-12,14-15,22,27-28,31H,6-8,13,16H2,1-5H3,(H,29,30)/t22-/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	1.40	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
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
Lethal factor (Bacillus anthracis)	BDBM50329260 ((R)-2-(4-fluoro-3,5-dimethylphenylamino)-6-(4-fluo...) Show SMILES Cc1cc(ccc1F)S(=O)(=O)NCCCC[C@@H](Nc1cc(C)c(F)c(C)c1)C(=O)NO |r| Show InChI InChI=1S/C21H27F2N3O4S/c1-13-12-17(7-8-18(13)22)31(29,30)24-9-5-4-6-19(21(27)26-28)25-16-10-14(2)20(23)15(3)11-16/h7-8,10-12,19,24-25,28H,4-6,9H2,1-3H3,(H,26,27)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.10	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
Lethal factor (Bacillus anthracis)	BDBM50329258 ((R)-4-fluoro-N-(5-(4-fluoro-3,5-dimethylphenylamin...) Show SMILES Cc1cc(ccc1F)C(=O)NCCCC[C@@H](Nc1cc(C)c(F)c(C)c1)C(=O)NO |r| Show InChI InChI=1S/C22H27F2N3O3/c1-13-10-16(7-8-18(13)23)21(28)25-9-5-4-6-19(22(29)27-30)26-17-11-14(2)20(24)15(3)12-17/h7-8,10-12,19,26,30H,4-6,9H2,1-3H3,(H,25,28)(H,27,29)/t19-/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	7.30	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
Lethal factor (Bacillus anthracis)	BDBM50329259 ((R)-6-amino-2-(4-fluoro-3,5-dimethylphenylamino)-N...) Show SMILES Cc1cc(N[C@H](CCCCN)C(=O)NO)cc(C)c1F |r| Show InChI InChI=1S/C14H22FN3O2/c1-9-7-11(8-10(2)13(9)15)17-12(14(19)18-20)5-3-4-6-16/h7-8,12,17,20H,3-6,16H2,1-2H3,(H,18,19)/t12-/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	8.20	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
Lethal factor (Bacillus anthracis)	BDBM50329262 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.30	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
Lethal factor (Bacillus anthracis)	BDBM50329285 ((2S,4R)-2-(2-((3-(4-fluoro-3-methylphenyl)propyl)(...) Show SMILES CO[C@H](C[C@H](CCN(C)CCCc1ccc(F)c(C)c1)C(=O)NO)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H32F2N2O3/c1-17-15-18(6-11-22(17)26)5-4-13-28(2)14-12-20(24(29)27-30)16-23(31-3)19-7-9-21(25)10-8-19/h6-11,15,20,23,30H,4-5,12-14,16H2,1-3H3,(H,27,29)/t20-,23+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	11	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
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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM50329284 ((2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(...) Show SMILES CO[C@H](C[C@H](CCN(C)CCCc1ccccc1)C(=O)NO)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H31FN2O3/c1-26(15-6-9-18-7-4-3-5-8-18)16-14-20(23(27)25-28)17-22(29-2)19-10-12-21(24)13-11-19/h3-5,7-8,10-13,20,22,28H,6,9,14-17H2,1-2H3,(H,25,27)/t20-,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	42	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
Lethal factor (Bacillus anthracis)	BDBM50329280 ((2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(...) Show SMILES CO[C@H](C[C@H](CCN1CCNCC1)C(=O)NO)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H26FN3O3/c1-24-16(13-2-4-15(18)5-3-13)12-14(17(22)20-23)6-9-21-10-7-19-8-11-21/h2-5,14,16,19,23H,6-12H2,1H3,(H,20,22)/t14-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	90	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
Lethal factor (Bacillus anthracis)	BDBM50329274 ((2S,4R)-2-(2-(dimethylamino)ethyl)-4-(4-fluorophen...) Show SMILES CO[C@H](C[C@H](CCN(C)C)C(=O)NO)c1ccc(F)cc1 |r| Show InChI InChI=1S/C15H23FN2O3/c1-18(2)9-8-12(15(19)17-20)10-14(21-3)11-4-6-13(16)7-5-11/h4-7,12,14,20H,8-10H2,1-3H3,(H,17,19)/t12-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	96	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
Lethal factor (Bacillus anthracis)	BDBM50329278 ((2S,4R)-4-(4-fluorophenyl)-N-hydroxy-2-(2-(3-(hydr...) Show SMILES CO[C@H](C[C@H](CCN1CCCC(CO)C1)C(=O)NO)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H29FN2O4/c1-26-18(15-4-6-17(20)7-5-15)11-16(19(24)21-25)8-10-22-9-2-3-14(12-22)13-23/h4-7,14,16,18,23,25H,2-3,8-13H2,1H3,(H,21,24)/t14?,16-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	99	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
Lethal factor (Bacillus anthracis)	BDBM50329282 ((2S,4R)-2-(2-(4-benzylpiperazin-1-yl)ethyl)-4-(4-f...) Show SMILES CO[C@H](C[C@H](CCN1CCN(Cc2ccccc2)CC1)C(=O)NO)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H32FN3O3/c1-31-23(20-7-9-22(25)10-8-20)17-21(24(29)26-30)11-12-27-13-15-28(16-14-27)18-19-5-3-2-4-6-19/h2-10,21,23,30H,11-18H2,1H3,(H,26,29)/t21-,23+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	115	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
Lethal factor (Bacillus anthracis)	BDBM50329283 ((2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(...) Show SMILES CO[C@H](C[C@H](CCN1CCN(CCc2ccccc2)CC1)C(=O)NO)c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H34FN3O3/c1-32-24(21-7-9-23(26)10-8-21)19-22(25(30)27-31)12-14-29-17-15-28(16-18-29)13-11-20-5-3-2-4-6-20/h2-10,22,24,31H,11-19H2,1H3,(H,27,30)/t22-,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	118	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
Lethal factor (Bacillus anthracis)	BDBM50329275 ((2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(...) Show SMILES CO[C@H](C[C@H](CCN1CCCC1)C(=O)NO)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H25FN2O3/c1-23-16(13-4-6-15(18)7-5-13)12-14(17(21)19-22)8-11-20-9-2-3-10-20/h4-7,14,16,22H,2-3,8-12H2,1H3,(H,19,21)/t14-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	122	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
Lethal factor (Bacillus anthracis)	BDBM50329286 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	135	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
Lethal factor (Bacillus anthracis)	BDBM50329281 ((2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(...) Show SMILES CO[C@H](C[C@H](CCN1CCN(CC1)c1ccccc1)C(=O)NO)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H30FN3O3/c1-30-22(18-7-9-20(24)10-8-18)17-19(23(28)25-29)11-12-26-13-15-27(16-14-26)21-5-3-2-4-6-21/h2-10,19,22,29H,11-17H2,1H3,(H,25,28)/t19-,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	151	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
Lethal factor (Bacillus anthracis)	BDBM50329276 ((2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(...) Show SMILES CO[C@H](C[C@H](CCN1CCCCC1)C(=O)NO)c1ccc(F)cc1 |r| Show InChI InChI=1S/C18H27FN2O3/c1-24-17(14-5-7-16(19)8-6-14)13-15(18(22)20-23)9-12-21-10-3-2-4-11-21/h5-8,15,17,23H,2-4,9-13H2,1H3,(H,20,22)/t15-,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	230	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
Lethal factor (Bacillus anthracis)	BDBM50329277 ((2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(...) Show SMILES CO[C@H](C[C@H](CCN1CCOCC1)C(=O)NO)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H25FN2O4/c1-23-16(13-2-4-15(18)5-3-13)12-14(17(21)19-22)6-7-20-8-10-24-11-9-20/h2-5,14,16,22H,6-12H2,1H3,(H,19,21)/t14-,16+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	350	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