Compile Data Set for Download or QSAR

Found 50 hits with Last Name = 'douglas' and Initial = 'cm'   

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)	BDBM8509 ((2R)-2-[(4-fluoro-3-methylbenzene)sulfonamido]-4-(...) Show SMILES Cc1cc(ccc1F)S(=O)(=O)N[C@H](CCNC(=O)C[NH3+])C(=O)NO |r| Show InChI InChI=1S/C13H19FN4O5S/c1-8-6-9(2-3-10(8)14)24(22,23)18-11(13(20)17-21)4-5-16-12(19)7-15/h2-3,6,11,18,21H,4-5,7,15H2,1H3,(H,16,19)(H,17,20)/p+1/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	37	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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8513 ((2R)-5-[(aminiumylmethanimidoyl)amino]-2-[(4-fluor...) Show SMILES Cc1cc(ccc1F)S(=O)(=O)N[C@H](CCCN=C(N)[NH3+])C(=O)NO |r,w:16.16| Show InChI InChI=1S/C13H20FN5O4S/c1-8-7-9(4-5-10(8)14)24(22,23)19-11(12(20)18-21)3-2-6-17-13(15)16/h4-5,7,11,19,21H,2-3,6H2,1H3,(H,18,20)(H4,15,16,17)/p+1/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	40	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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8501 ((2R)-2-cyclohexyl-2-[(4-fluoro-3-methylbenzene)sul...) Show SMILES Cc1cc(ccc1F)S(=O)(=O)N[C@H](C1CCCCC1)C(=O)NO |r| Show InChI InChI=1S/C15H21FN2O4S/c1-10-9-12(7-8-13(10)16)23(21,22)18-14(15(19)17-20)11-5-3-2-4-6-11/h7-9,11,14,18,20H,2-6H2,1H3,(H,17,19)/t14-/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	42	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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8512 ((2R)-3-(2-aminiumylethoxy)-2-[(4-fluoro-3-methylbe...) Show SMILES Cc1cc(ccc1F)S(=O)(=O)N[C@H](COCC[NH3+])C(=O)NO |r| Show InChI InChI=1S/C12H18FN3O5S/c1-8-6-9(2-3-10(8)13)22(19,20)16-11(12(17)15-18)7-21-5-4-14/h2-3,6,11,16,18H,4-5,7,14H2,1H3,(H,15,17)/p+1/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8502 ((2R)-2-[(4-fluoro-3-methylbenzene)sulfonamido]-N-h...) Show SMILES Cc1cc(ccc1F)S(=O)(=O)N[C@@H](C(=O)NO)c1ccccc1 |r| Show InChI InChI=1S/C15H15FN2O4S/c1-10-9-12(7-8-13(10)16)23(21,22)18-14(15(19)17-20)11-5-3-2-4-6-11/h2-9,14,18,20H,1H3,(H,17,19)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8507 ((2R)-3-cyclopropyl-2-[(4-fluoro-3-methylbenzene)su...) Show SMILES Cc1cc(ccc1F)S(=O)(=O)N[C@H](CC1CC1)C(=O)NO |r| Show InChI InChI=1S/C13H17FN2O4S/c1-8-6-10(4-5-11(8)14)21(19,20)16-12(13(17)15-18)7-9-2-3-9/h4-6,9,12,16,18H,2-3,7H2,1H3,(H,15,17)/t12-/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	51	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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8503 ((2R)-2-[(4-fluoro-3-methylbenzene)sulfonamido]-N-h...) Show SMILES Cc1cc(ccc1F)S(=O)(=O)N[C@H](C1CCOCC1)C(=O)NO |r| Show InChI InChI=1S/C14H19FN2O5S/c1-9-8-11(2-3-12(9)15)23(20,21)17-13(14(18)16-19)10-4-6-22-7-5-10/h2-3,8,10,13,17,19H,4-7H2,1H3,(H,16,18)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	54	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lethal factor (Bacillus anthracis)	BDBM8511 ((2R)-2-[(4-fluoro-3-methylbenzene)sulfonamido]-4-(...) Show SMILES Cc1cc(ccc1F)S(=O)(=O)N[C@H](CCNC(=O)C(C)(C)[NH3+])C(=O)NO |r| Show InChI InChI=1S/C15H23FN4O5S/c1-9-8-10(4-5-11(9)16)26(24,25)20-12(13(21)19-23)6-7-18-14(22)15(2,3)17/h4-5,8,12,20,23H,6-7,17H2,1-3H3,(H,18,22)(H,19,21)/p+1/t12-/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	57	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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8510 ((2R)-2-[(4-fluoro-3-methylbenzene)sulfonamido]-4-[...) Show SMILES C[C@H]([NH3+])C(=O)NCC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO |r| Show InChI InChI=1S/C14H21FN4O5S/c1-8-7-10(3-4-11(8)15)25(23,24)19-12(14(21)18-22)5-6-17-13(20)9(2)16/h3-4,7,9,12,19,22H,5-6,16H2,1-2H3,(H,17,20)(H,18,21)/p+1/t9-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8500 ((2R)-2-cyclopentyl-2-[(4-fluoro-3-methylbenzene)su...) Show SMILES Cc1cc(ccc1F)S(=O)(=O)N[C@H](C1CCCC1)C(=O)NO |r| Show InChI InChI=1S/C14H19FN2O4S/c1-9-8-11(6-7-12(9)15)22(20,21)17-13(14(18)16-19)10-4-2-3-5-10/h6-8,10,13,17,19H,2-5H2,1H3,(H,16,18)/t13-/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	64	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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8508 ((2R,3S)-3-cyclopropyl-2-[(4-fluoro-3-methylbenzene...) Show SMILES C[C@H]([C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO)C1CC1 |r| Show InChI InChI=1S/C14H19FN2O4S/c1-8-7-11(5-6-12(8)15)22(20,21)17-13(14(18)16-19)9(2)10-3-4-10/h5-7,9-10,13,17,19H,3-4H2,1-2H3,(H,16,18)/t9-,13+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	65	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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8505 ((2R,3S)-2-[(4-fluoro-3-methylbenzene)sulfonamido]-...) Show SMILES CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO |r| Show InChI InChI=1S/C13H19FN2O4S/c1-4-8(2)12(13(17)15-18)16-21(19,20)10-5-6-11(14)9(3)7-10/h5-8,12,16,18H,4H2,1-3H3,(H,15,17)/t8-,12+/m0/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	67	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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8506 ((2R)-2-[(4-fluoro-3-methylbenzene)sulfonamido]-N-h...) Show SMILES CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO |r| Show InChI InChI=1S/C13H19FN2O4S/c1-4-8(2)12(13(17)15-18)16-21(19,20)10-5-6-11(14)9(3)7-10/h5-8,12,16,18H,4H2,1-3H3,(H,15,17)/t8-,12-/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	67	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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8496 ((2R)-2-[(4-fluoro-3-methylbenzene)sulfonamido]-N-h...) Show SMILES CCCC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO |r| Show InChI InChI=1S/C13H19FN2O4S/c1-3-4-5-12(13(17)15-18)16-21(19,20)10-6-7-11(14)9(2)8-10/h6-8,12,16,18H,3-5H2,1-2H3,(H,15,17)/t12-/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	70	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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8514 (4-[(3R)-3-[(4-fluoro-3-methylbenzene)sulfonamido]-...) Show SMILES Cc1cc(ccc1F)S(=O)(=O)N[C@H](CCc1c[nH]c[nH+]1)C(=O)NO |r| Show InChI InChI=1S/C14H17FN4O4S/c1-9-6-11(3-4-12(9)15)24(22,23)19-13(14(20)18-21)5-2-10-7-16-8-17-10/h3-4,6-8,13,19,21H,2,5H2,1H3,(H,16,17)(H,18,20)/p+1/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	75	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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8495 ((2R)-2-[(4-fluoro-3-methylbenzene)sulfonamido]-N-h...) Show SMILES CC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO |r| Show InChI InChI=1S/C11H15FN2O4S/c1-3-10(11(15)13-16)14-19(17,18)8-4-5-9(12)7(2)6-8/h4-6,10,14,16H,3H2,1-2H3,(H,13,15)/t10-/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	100	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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8498 ((2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzene)su...) Show SMILES Cc1cc(ccc1F)S(=O)(=O)N[C@H](C1CC1)C(=O)NO |r| Show InChI InChI=1S/C12H15FN2O4S/c1-7-6-9(4-5-10(7)13)20(18,19)15-11(8-2-3-8)12(16)14-17/h4-6,8,11,15,17H,2-3H2,1H3,(H,14,16)/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	120	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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8504 (2-[(4-fluoro-3-methylbenzene)sulfonamido]-N-hydrox...) Show SMILES Cc1cc(ccc1F)S(=O)(=O)NC(C1CCOC1)C(=O)NO Show InChI InChI=1S/C13H17FN2O5S/c1-8-6-10(2-3-11(8)14)22(19,20)16-12(13(17)15-18)9-4-5-21-7-9/h2-3,6,9,12,16,18H,4-5,7H2,1H3,(H,15,17)	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	120	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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8494 ((2R)-2-[(4-fluoro-3-methylbenzene)sulfonamido]-N-h...) Show SMILES C[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO |r| Show InChI InChI=1S/C10H13FN2O4S/c1-6-5-8(3-4-9(6)11)18(16,17)13-7(2)10(14)12-15/h3-5,7,13,15H,1-2H3,(H,12,14)/t7-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	130	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lethal factor (Bacillus anthracis)	BDBM8499 ((2R)-2-cyclobutyl-2-[(4-fluoro-3-methylbenzene)sul...) Show SMILES Cc1cc(ccc1F)S(=O)(=O)N[C@H](C1CCC1)C(=O)NO |r| Show InChI InChI=1S/C13H17FN2O4S/c1-8-7-10(5-6-11(8)14)21(19,20)16-12(13(17)15-18)9-3-2-4-9/h5-7,9,12,16,18H,2-4H2,1H3,(H,15,17)/t12-/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	130	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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8479 ((2R)-2-[(4-fluoro-3-methylbenzene)sulfonamido]-N-h...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO |r| Show InChI InChI=1S/C12H17FN2O4S/c1-7(2)11(12(16)14-17)15-20(18,19)9-4-5-10(13)8(3)6-9/h4-7,11,15,17H,1-3H3,(H,14,16)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	7.0	22
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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8476 ((2R)-2-[(4-fluorobenzene)sulfonamido]-N-hydroxy-3-...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NO |r| Show InChI InChI=1S/C11H15FN2O4S/c1-7(2)10(11(15)13-16)14-19(17,18)9-5-3-8(12)4-6-9/h3-7,10,14,16H,1-2H3,(H,13,15)/t10-/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	290	n/a	n/a	n/a	n/a	7.0	22
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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8497 ((2R)-2-[(4-fluoro-3-methylbenzene)sulfonamido]-N-h...) Show SMILES Cc1cc(ccc1F)S(=O)(=O)N[C@@H](C(=O)NO)C(C)(C)C |r| Show InChI InChI=1S/C13H19FN2O4S/c1-8-7-9(5-6-10(8)14)21(19,20)16-11(12(17)15-18)13(2,3)4/h5-7,11,16,18H,1-4H3,(H,15,17)/t11-/m0/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	300	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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8478 ((2R)-N-hydroxy-3-methyl-2-[(3-methylbenzene)sulfon...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1cccc(C)c1)C(=O)NO |r| Show InChI InChI=1S/C12H18N2O4S/c1-8(2)11(12(15)13-16)14-19(17,18)10-6-4-5-9(3)7-10/h4-8,11,14,16H,1-3H3,(H,13,15)/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	400	n/a	n/a	n/a	n/a	7.0	22
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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8488 ((2R)-2-[(4-fluoronaphthalene-1-)sulfonamido]-N-hyd...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(F)c2ccccc12)C(=O)NO |r| Show InChI InChI=1S/C15H17FN2O4S/c1-9(2)14(15(19)17-20)18-23(21,22)13-8-7-12(16)10-5-3-4-6-11(10)13/h3-9,14,18,20H,1-2H3,(H,17,19)/t14-/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	460	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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8490 ((2R)-2-{[4-fluoro-3-(hydroxymethyl)benzene]sulfona...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(F)c(CO)c1)C(=O)NO |r| Show InChI InChI=1S/C12H17FN2O5S/c1-7(2)11(12(17)14-18)15-21(19,20)9-3-4-10(13)8(5-9)6-16/h3-5,7,11,15-16,18H,6H2,1-2H3,(H,14,17)/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	600	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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8493 ((2R)-N-hydroxy-3-methyl-2-{[5-(1,2,3-thiadiazol-5-...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(s1)-c1cnns1)C(=O)NO |r| Show InChI InChI=1S/C11H14N4O4S3/c1-6(2)10(11(16)13-17)14-22(18,19)9-4-3-7(20-9)8-5-12-15-21-8/h3-6,10,14,17H,1-2H3,(H,13,16)/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	810	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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8466 ((2R)-N-hydroxy-2-[(4-methoxybenzene)sulfonamido]-3...) Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)/t11-/m1/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	n/a	n/a	900	n/a	n/a	n/a	n/a	7.0	22
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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8473 ((2R)-2-benzenesulfonamido-N-hydroxy-3-methylbutana...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C11H16N2O4S/c1-8(2)10(11(14)12-15)13-18(16,17)9-6-4-3-5-7-9/h3-8,10,13,15H,1-2H3,(H,12,14)/t10-/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	1.10E+3	n/a	n/a	n/a	n/a	7.0	22
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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8465 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	7.0	22
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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8491 ((2R)-2-{[4-fluoro-2-(hydroxymethyl)benzene]sulfona...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(F)cc1CO)C(=O)NO |r| Show InChI InChI=1S/C12H17FN2O5S/c1-7(2)11(12(17)14-18)15-21(19,20)10-4-3-9(13)5-8(10)6-16/h3-5,7,11,15-16,18H,6H2,1-2H3,(H,14,17)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.31E+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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8492 ((2R)-2-[(5-chlorothiophene-2-)sulfonamido]-N-hydro...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)s1)C(=O)NO |r| Show InChI InChI=1S/C9H13ClN2O4S2/c1-5(2)8(9(13)11-14)12-18(15,16)7-4-3-6(10)17-7/h3-5,8,12,14H,1-2H3,(H,11,13)/t8-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.31E+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
					More data for this Ligand-Target Pair
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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8471 ((2R)-N-hydroxy-2-[(4-methoxybenzene)[2-(thiophen-3...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCc1ccsc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H24N2O5S2/c1-13(2)17(18(21)19-22)20(10-8-14-9-11-26-12-14)27(23,24)16-6-4-15(25-3)5-7-16/h4-7,9,11-13,17,22H,8,10H2,1-3H3,(H,19,21)/t17-/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	2.10E+3	n/a	n/a	n/a	n/a	7.0	22
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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8475 ((2R)-2-[(3-fluorobenzene)sulfonamido]-N-hydroxy-3-...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1cccc(F)c1)C(=O)NO |r| Show InChI InChI=1S/C11H15FN2O4S/c1-7(2)10(11(15)13-16)14-19(17,18)9-5-3-4-8(12)6-9/h3-7,10,14,16H,1-2H3,(H,13,15)/t10-/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	2.80E+3	n/a	n/a	n/a	n/a	7.0	22
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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8477 ((2R)-N-hydroxy-3-methyl-2-[(4-methylbenzene)sulfon...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NO |r| Show InChI InChI=1S/C12H18N2O4S/c1-8(2)11(12(15)13-16)14-19(17,18)10-6-4-9(3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)/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	3.00E+3	n/a	n/a	n/a	n/a	7.0	22
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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8470 ((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-4-ylm...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccncc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-8-10-19-11-9-14)27(24,25)16-6-4-15(26-3)5-7-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/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	3.10E+3	n/a	n/a	n/a	n/a	7.0	22
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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8481 ((2R)-2-[(3-fluoro-4-methylbenzene)sulfonamido]-N-h...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(C)c(F)c1)C(=O)NO |r| Show InChI InChI=1S/C12H17FN2O4S/c1-7(2)11(12(16)14-17)15-20(18,19)9-5-4-8(3)10(13)6-9/h4-7,11,15,17H,1-3H3,(H,14,16)/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	5.18E+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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8474 ((2R)-2-[(2-fluorobenzene)sulfonamido]-N-hydroxy-3-...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NO |r| Show InChI InChI=1S/C11H15FN2O4S/c1-7(2)10(11(15)13-16)14-19(17,18)9-6-4-3-5-8(9)12/h3-7,10,14,16H,1-2H3,(H,13,15)/t10-/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	6.60E+3	n/a	n/a	n/a	n/a	7.0	22
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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8482 ((2R)-N-hydroxy-3-methyl-2-[(2-phenylethane)sulfona...) Show SMILES CC(C)[C@@H](NS(=O)(=O)CCc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C13H20N2O4S/c1-10(2)12(13(16)14-17)15-20(18,19)9-8-11-6-4-3-5-7-11/h3-7,10,12,15,17H,8-9H2,1-2H3,(H,14,16)/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+4	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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8483 ((2R)-2-{[(3-chlorophenyl)methane]sulfonamido}-N-hy...) Show SMILES CC(C)[C@@H](NS(=O)(=O)Cc1cccc(Cl)c1)C(=O)NO |r| Show InChI InChI=1S/C12H17ClN2O4S/c1-8(2)11(12(16)14-17)15-20(18,19)7-9-4-3-5-10(13)6-9/h3-6,8,11,15,17H,7H2,1-2H3,(H,14,16)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.66E+4	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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8472 ((2R)-N-hydroxy-2-{[2-(1H-imidazol-1-yl)ethyl](4-me...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCn1ccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C17H24N4O5S/c1-13(2)16(17(22)19-23)21(11-10-20-9-8-18-12-20)27(24,25)15-6-4-14(26-3)5-7-15/h4-9,12-13,16,23H,10-11H2,1-3H3,(H,19,22)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.91E+4	n/a	n/a	n/a	n/a	7.0	22
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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8468 (N-[(3R)-1-hydroxy-2-oxopyrrolidin-3-yl]-4-methoxyb...) Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@@H]1CCN(O)C1=O |r| Show InChI InChI=1S/C11H14N2O5S/c1-18-8-2-4-9(5-3-8)19(16,17)12-10-6-7-13(15)11(10)14/h2-5,10,12,15H,6-7H2,1H3/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	7.0	22
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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8467 ((2R)-N-hydroxy-3-methyl-2-[N-(pyridin-3-ylmethyl)a...) Show SMILES CC(C)[C@@H](N(Cc1cccnc1)C(C)=O)C(=O)NO |r| Show InChI InChI=1S/C13H19N3O3/c1-9(2)12(13(18)15-19)16(10(3)17)8-11-5-4-6-14-7-11/h4-7,9,12,19H,8H2,1-3H3,(H,15,18)/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	7.0	22
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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8487 ((2R)-N-hydroxy-3-methyl-2-[(4-phenylbenzene)sulfon...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C17H20N2O4S/c1-12(2)16(17(20)18-21)19-24(22,23)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16,19,21H,1-2H3,(H,18,20)/t16-/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	>4.00E+4	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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8486 ((2R)-2-{[4-(benzyloxy)-3-methylbenzene]sulfonamido...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(OCc2ccccc2)c(C)c1)C(=O)NO |r| Show InChI InChI=1S/C19H24N2O5S/c1-13(2)18(19(22)20-23)21-27(24,25)16-9-10-17(14(3)11-16)26-12-15-7-5-4-6-8-15/h4-11,13,18,21,23H,12H2,1-3H3,(H,20,22)/t18-/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	>4.00E+4	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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8485 ((2R)-N-hydroxy-3-methyl-2-[(4-phenoxybenzene)sulfo...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r| Show InChI InChI=1S/C17H20N2O5S/c1-12(2)16(17(20)18-21)19-25(22,23)15-10-8-14(9-11-15)24-13-6-4-3-5-7-13/h3-12,16,19,21H,1-2H3,(H,18,20)/t16-/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	n/a	n/a	>4.00E+4	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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8484 ((2R)-2-[(4-butoxybenzene)sulfonamido]-N-hydroxy-3-...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C15H24N2O5S/c1-4-5-10-22-12-6-8-13(9-7-12)23(20,21)17-14(11(2)3)15(18)16-19/h6-9,11,14,17,19H,4-5,10H2,1-3H3,(H,16,18)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>4.00E+4	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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8469 ((2R)-N-hydroxy-3-methyl-2-[(2,2,2-trifluoroethane)...) Show SMILES CC(C)[C@@H](NS(=O)(=O)CC(F)(F)F)C(=O)NO |r| Show InChI InChI=1S/C7H13F3N2O4S/c1-4(2)5(6(13)11-14)12-17(15,16)3-7(8,9)10/h4-5,12,14H,3H2,1-2H3,(H,11,13)/t5-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	7.0	22
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
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8480 ((2R)-N-hydroxy-3-methyl-2-{[4-(trifluoromethyl)ben...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)NO |r| Show InChI InChI=1S/C12H15F3N2O4S/c1-7(2)10(11(18)16-19)17-22(20,21)9-5-3-8(4-6-9)12(13,14)15/h3-7,10,17,19H,1-2H3,(H,16,18)/t10-/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	>4.00E+4	n/a	n/a	n/a	n/a	7.0	22
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
					More data for this Ligand-Target Pair