Compile Data Set for Download or QSAR

Found 51 hits with Last Name = 'rozanov' and Initial = 'dv'   

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)	BDBM8443 (2-[(5Z)-5-({5-[2-chloro-5-(trifluoromethyl)phenyl]...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)C1=O Show InChI InChI=1S/C17H9ClF3NO4S2/c18-11-3-1-8(17(19,20)21)5-10(11)12-4-2-9(26-12)6-13-15(25)22(7-14(23)24)16(27)28-13/h1-6H,7H2,(H,23,24)/b13-6-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8435 (3-[(5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylide...) Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2)C1=O Show InChI InChI=1S/C17H12ClNO4S2/c18-11-3-1-10(2-4-11)13-6-5-12(23-13)9-14-16(22)19(17(24)25-14)8-7-15(20)21/h1-6,9H,7-8H2,(H,20,21)/b14-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	800	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lethal factor (Bacillus anthracis)	BDBM8442 (2-[(5Z)-5-{[5-(3,4-dichlorophenyl)furan-2-yl]methy...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)c(Cl)c2)C1=O Show InChI InChI=1S/C16H9Cl2NO4S2/c17-10-3-1-8(5-11(10)18)12-4-2-9(23-12)6-13-15(22)19(7-14(20)21)16(24)25-13/h1-6H,7H2,(H,20,21)/b13-6-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	265	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8441 (2-[(5Z)-5-{[5-(3-chloro-4-methoxyphenyl)furan-2-yl...) Show SMILES COc1ccc(cc1Cl)-c1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)o1 Show InChI InChI=1S/C17H12ClNO5S2/c1-23-13-4-2-9(6-11(13)18)12-5-3-10(24-12)7-14-16(22)19(8-15(20)21)17(25)26-14/h2-7H,8H2,1H3,(H,20,21)/b14-7-	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	298	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8439 (2-[(5Z)-5-{[5-(4-chloro-2-nitrophenyl)furan-2-yl]m...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2N(=O)=O)C1=O Show InChI InChI=1S/C16H9ClN2O6S2/c17-8-1-3-10(11(5-8)19(23)24)12-4-2-9(25-12)6-13-15(22)18(7-14(20)21)16(26)27-13/h1-6H,7H2,(H,20,21)/b13-6-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8444 (2-[(5Z)-4-oxo-5-[(5-phenylthiophen-2-yl)methyliden...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(s2)-c2ccccc2)C1=O Show InChI InChI=1S/C16H11NO3S3/c18-14(19)9-17-15(20)13(23-16(17)21)8-11-6-7-12(22-11)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)/b13-8-	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	740	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8438 (2-[(5Z)-5-{[5-(4-bromophenyl)furan-2-yl]methyliden...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Br)cc2)C1=O Show InChI InChI=1S/C16H10BrNO4S2/c17-10-3-1-9(2-4-10)12-6-5-11(22-12)7-13-15(21)18(8-14(19)20)16(23)24-13/h1-7H,8H2,(H,19,20)/b13-7-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8437 (2-[(5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylide...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2)C1=O Show InChI InChI=1S/C16H10ClNO4S2/c17-10-3-1-9(2-4-10)12-6-5-11(22-12)7-13-15(21)18(8-14(19)20)16(23)24-13/h1-7H,8H2,(H,19,20)/b13-7-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8458 (5-[(5-phenylthiophen-2-yl)methylidene]-2-sulfanyli...) Show SMILES O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]/c1ccc(s1)-c1ccccc1 Show InChI InChI=1S/C15H10N2O2S2/c18-13-11(14(19)17-15(20)16-13)8-10-6-7-12(21-10)9-4-2-1-3-5-9/h1-8H,(H2,16,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				J Med Chem 49: 27-30 (2006) Article DOI: 10.1021/jm050892j BindingDB Entry DOI: 10.7270/Q2PV6HKJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8456 (5-({5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-...) Show SMILES FC(F)(F)c1ccc(Cl)c(c1)-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1 Show InChI InChI=1S/C16H8ClF3N2O3S/c17-11-3-1-7(16(18,19)20)5-9(11)12-4-2-8(25-12)6-10-13(23)21-15(26)22-14(10)24/h1-6H,(H2,21,22,23,24,26)	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	1.30E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				J Med Chem 49: 27-30 (2006) Article DOI: 10.1021/jm050892j BindingDB Entry DOI: 10.7270/Q2PV6HKJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8447 (2-[(5Z)-5-[(5-{[(5Z)-3-(carboxymethyl)-4-oxo-2-sul...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(\C=C3/SC(=S)N(CC(O)=O)C3=O)s2)C1=O Show InChI InChI=1S/C16H10N2O6S5/c19-11(20)5-17-13(23)9(28-15(17)25)3-7-1-2-8(27-7)4-10-14(24)18(6-12(21)22)16(26)29-10/h1-4H,5-6H2,(H,19,20)(H,21,22)/b9-3-,10-4-	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	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8457 (5-{[5-(3,4-dichlorophenyl)furan-2-yl]methylidene}-...) Show SMILES Clc1ccc(cc1Cl)-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1 Show InChI InChI=1S/C15H8Cl2N2O3S/c16-10-3-1-7(5-11(10)17)12-4-2-8(22-12)6-9-13(20)18-15(23)19-14(9)21/h1-6H,(H2,18,19,20,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				J Med Chem 49: 27-30 (2006) Article DOI: 10.1021/jm050892j BindingDB Entry DOI: 10.7270/Q2PV6HKJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8434 (4-[(5Z)-5-{[5-(4-bromophenyl)furan-2-yl]methyliden...) Show SMILES OC(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Br)cc2)C1=O Show InChI InChI=1S/C18H14BrNO4S2/c19-12-5-3-11(4-6-12)14-8-7-13(24-14)10-15-17(23)20(18(25)26-15)9-1-2-16(21)22/h3-8,10H,1-2,9H2,(H,21,22)/b15-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8459 (2-[(5Z)-4-oxo-2-sulfanylidene-5-{[5-(thiophen-2-yl...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(s2)-c2cccs2)C1=O Show InChI InChI=1S/C14H9NO3S4/c16-12(17)7-15-13(18)11(22-14(15)19)6-8-3-4-10(21-8)9-2-1-5-20-9/h1-6H,7H2,(H,16,17)/b11-6-	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	2.30E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				J Med Chem 49: 27-30 (2006) Article DOI: 10.1021/jm050892j BindingDB Entry DOI: 10.7270/Q2PV6HKJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8433 (2-chloro-4-(5-{[(5Z)-4-oxo-3-(prop-2-en-1-yl)-2-su...) Show SMILES OC(=O)c1ccc(cc1Cl)-c1ccc(\C=C2/SC(=S)N(CC=C)C2=O)o1 Show InChI InChI=1S/C18H12ClNO4S2/c1-2-7-20-16(21)15(26-18(20)25)9-11-4-6-14(24-11)10-3-5-12(17(22)23)13(19)8-10/h2-6,8-9H,1,7H2,(H,22,23)/b15-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8432 (3-[(5Z)-5-{[5-(4-nitrophenyl)furan-2-yl]methyliden...) Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)N(=O)=O)C1=O Show InChI InChI=1S/C17H12N2O6S2/c20-15(21)7-8-18-16(22)14(27-17(18)26)9-12-5-6-13(25-12)10-1-3-11(4-2-10)19(23)24/h1-6,9H,7-8H2,(H,20,21)/b14-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8431 (4-(5-{[(5Z)-4-oxo-2-sulfanylidene-3-[3-(trifluorom...) Show SMILES OC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(C2=O)c2cccc(c2)C(F)(F)F)o1 Show InChI InChI=1S/C22H12F3NO4S2/c23-22(24,25)14-2-1-3-15(10-14)26-19(27)18(32-21(26)31)11-16-8-9-17(30-16)12-4-6-13(7-5-12)20(28)29/h1-11H,(H,28,29)/b18-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8464 (5-{[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyli...) Show SMILES [#6]-[#8]-c1ccc(cc1Cl)-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1 Show InChI InChI=1S/C16H11ClN2O4S/c1-22-13-4-2-8(6-11(13)17)12-5-3-9(23-12)7-10-14(20)18-16(24)19-15(10)21/h2-7H,1H3,(H2,18,19,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				J Med Chem 49: 27-30 (2006) Article DOI: 10.1021/jm050892j BindingDB Entry DOI: 10.7270/Q2PV6HKJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8440 (2-[(5Z)-5-{[5-(2-nitrophenyl)furan-2-yl]methyliden...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2N(=O)=O)C1=O Show InChI InChI=1S/C16H10N2O6S2/c19-14(20)8-17-15(21)13(26-16(17)25)7-9-5-6-12(24-9)10-3-1-2-4-11(10)18(22)23/h1-7H,8H2,(H,19,20)/b13-7-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8430 (2-[(5Z)-5-{[5-(3-nitrophenyl)furan-2-yl]methyliden...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2cccc(c2)N(=O)=O)C1=O Show InChI InChI=1S/C16H10N2O6S2/c19-14(20)8-17-15(21)13(26-16(17)25)7-11-4-5-12(24-11)9-2-1-3-10(6-9)18(22)23/h1-7H,8H2,(H,19,20)/b13-7-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8446 (2-[(5Z)-5-{[5-(4-chlorophenyl)thiophen-2-yl]methyl...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(s2)-c2ccc(Cl)cc2)C1=O Show InChI InChI=1S/C16H10ClNO3S3/c17-10-3-1-9(2-4-10)12-6-5-11(23-12)7-13-15(21)18(8-14(19)20)16(22)24-13/h1-7H,8H2,(H,19,20)/b13-7-	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	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8460 (5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-2-su...) Show SMILES Clc1ccc(cc1)-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1 Show InChI InChI=1S/C15H9ClN2O3S/c16-9-3-1-8(2-4-9)12-6-5-10(21-12)7-11-13(19)17-15(22)18-14(11)20/h1-7H,(H2,17,18,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				J Med Chem 49: 27-30 (2006) Article DOI: 10.1021/jm050892j BindingDB Entry DOI: 10.7270/Q2PV6HKJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8451 (2-[(5Z)-5-{[5-(4-bromophenyl)-1,3-thiazol-2-yl]met...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ncc(s2)-c2ccc(Br)cc2)C1=O Show InChI InChI=1S/C15H9BrN2O3S3/c16-9-3-1-8(2-4-9)11-6-17-12(23-11)5-10-14(21)18(7-13(19)20)15(22)24-10/h1-6H,7H2,(H,19,20)/b10-5-	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	4.40E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				J Med Chem 49: 27-30 (2006) Article DOI: 10.1021/jm050892j BindingDB Entry DOI: 10.7270/Q2PV6HKJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8429 (4-(5-{[(5Z)-3-(4-nitrophenyl)-4-oxo-2-sulfanyliden...) Show SMILES OC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(C2=O)c2ccc(cc2)N(=O)=O)o1 Show InChI InChI=1S/C21H12N2O6S2/c24-19-18(31-21(30)22(19)14-5-7-15(8-6-14)23(27)28)11-16-9-10-17(29-16)12-1-3-13(4-2-12)20(25)26/h1-11H,(H,25,26)/b18-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8450 (2-[(5Z)-5-{[5-(3,4-dimethoxyphenyl)-1,3-thiazol-2-...) Show SMILES COc1ccc(cc1OC)-c1cnc(\C=C2/SC(=S)N(CC(O)=O)C2=O)s1 Show InChI InChI=1S/C17H14N2O5S3/c1-23-10-4-3-9(5-11(10)24-2)13-7-18-14(26-13)6-12-16(22)19(8-15(20)21)17(25)27-12/h3-7H,8H2,1-2H3,(H,20,21)/b12-6-	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	5.00E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				J Med Chem 49: 27-30 (2006) Article DOI: 10.1021/jm050892j BindingDB Entry DOI: 10.7270/Q2PV6HKJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8428 (2-[(5Z)-5-{[5-(4-iodophenyl)furan-2-yl]methylidene...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(I)cc2)C1=O Show InChI InChI=1S/C16H10INO4S2/c17-10-3-1-9(2-4-10)12-6-5-11(22-12)7-13-15(21)18(8-14(19)20)16(23)24-13/h1-7H,8H2,(H,19,20)/b13-7-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8463 (2-[(5Z)-5-{[5-(3,4-dichlorophenyl)furan-2-yl]methy...) Show SMILES OC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2ccc(Cl)c(Cl)c2)C1=O Show InChI InChI=1S/C16H9Cl2NO5S/c17-10-3-1-8(5-11(10)18)12-4-2-9(24-12)6-13-15(22)19(7-14(20)21)16(23)25-13/h1-6H,7H2,(H,20,21)/b13-6-	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	5.60E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				J Med Chem 49: 27-30 (2006) Article DOI: 10.1021/jm050892j BindingDB Entry DOI: 10.7270/Q2PV6HKJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8452 (2-[(5Z)-5-({5-[2-chloro-5-(trifluoromethyl)phenyl]...) Show SMILES OC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)C1=O Show InChI InChI=1S/C17H9ClF3NO5S/c18-11-3-1-8(17(19,20)21)5-10(11)12-4-2-9(27-12)6-13-15(25)22(7-14(23)24)16(26)28-13/h1-6H,7H2,(H,23,24)/b13-6-	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	5.90E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				J Med Chem 49: 27-30 (2006) Article DOI: 10.1021/jm050892j BindingDB Entry DOI: 10.7270/Q2PV6HKJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8427 (4-(5-{[(5Z)-3-benzyl-4-oxo-2-sulfanylidene-1,3-thi...) Show SMILES OC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(Cc3ccccc3)C2=O)o1 Show InChI InChI=1S/C22H15NO4S2/c24-20-19(29-22(28)23(20)13-14-4-2-1-3-5-14)12-17-10-11-18(27-17)15-6-8-16(9-7-15)21(25)26/h1-12H,13H2,(H,25,26)/b19-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8426 ((5Z)-5-{[5-(4-bromo-3-chlorophenyl)furan-2-yl]meth...) Show SMILES Clc1cc(ccc1Br)-c1ccc(\C=C2/SC(=S)NC2=O)o1 Show InChI InChI=1S/C14H7BrClNO2S2/c15-9-3-1-7(5-10(9)16)11-4-2-8(19-11)6-12-13(18)17-14(20)21-12/h1-6H,(H,17,18,20)/b12-6-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8425 ((5Z)-5-{[5-(3,4-dichlorophenyl)furan-2-yl]methylid...) Show SMILES Clc1ccc(cc1Cl)-c1ccc(\C=C2/SC(=S)NC2=O)o1 Show InChI InChI=1S/C14H7Cl2NO2S2/c15-9-3-1-7(5-10(9)16)11-4-2-8(19-11)6-12-13(18)17-14(20)21-12/h1-6H,(H,17,18,20)/b12-6-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8424 (2-[(5Z)-4-oxo-5-{[5-(4-sulfamoylphenyl)furan-2-yl]...) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)o1 Show InChI InChI=1S/C16H12N2O6S3/c17-27(22,23)11-4-1-9(2-5-11)12-6-3-10(24-12)7-13-15(21)18(8-14(19)20)16(25)26-13/h1-7H,8H2,(H,19,20)(H2,17,22,23)/b13-7-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8423 (2-chloro-4-(5-{[(5Z)-4-oxo-3-(pyridin-3-ylmethyl)-...) Show SMILES OC(=O)c1ccc(cc1Cl)-c1ccc(\C=C2/SC(=S)N(Cc3cccnc3)C2=O)o1 Show InChI InChI=1S/C21H13ClN2O4S2/c22-16-8-13(3-5-15(16)20(26)27)17-6-4-14(28-17)9-18-19(25)24(21(29)30-18)11-12-2-1-7-23-10-12/h1-10H,11H2,(H,26,27)/b18-9-	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	9.90E+3	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8449 (2-[(5Z)-5-{[5-(4-chlorophenyl)-1,3-thiazol-2-yl]me...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ncc(s2)-c2ccc(Cl)cc2)C1=O Show InChI InChI=1S/C15H9ClN2O3S3/c16-9-3-1-8(2-4-9)11-6-17-12(23-11)5-10-14(21)18(7-13(19)20)15(22)24-10/h1-6H,7H2,(H,19,20)/b10-5-	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	1.00E+4	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				J Med Chem 49: 27-30 (2006) Article DOI: 10.1021/jm050892j BindingDB Entry DOI: 10.7270/Q2PV6HKJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8422 ((5Z)-3-(furan-2-ylmethyl)-5-{[5-(4-nitrophenyl)fur...) Show SMILES O=C1N(Cc2ccco2)C(=S)S\C1=C/c1ccc(o1)-c1ccc(cc1)N(=O)=O Show InChI InChI=1S/C19H12N2O5S2/c22-18-17(28-19(27)20(18)11-15-2-1-9-25-15)10-14-7-8-16(26-14)12-3-5-13(6-4-12)21(23)24/h1-10H,11H2/b17-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8421 (3-[(5Z)-5-{[5-(2-nitrophenyl)furan-2-yl]methyliden...) Show SMILES OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2N(=O)=O)C1=O Show InChI InChI=1S/C17H12N2O6S2/c20-15(21)7-8-18-16(22)14(27-17(18)26)9-10-5-6-13(25-10)11-3-1-2-4-12(11)19(23)24/h1-6,9H,7-8H2,(H,20,21)/b14-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8461 (2-[(5Z)-4-oxo-5-[(5-phenylfuran-2-yl)methylidene]-...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2)C1=O Show InChI InChI=1S/C16H11NO4S2/c18-14(19)9-17-15(20)13(23-16(17)22)8-11-6-7-12(21-11)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)/b13-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.66E+4	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				J Med Chem 49: 27-30 (2006) Article DOI: 10.1021/jm050892j BindingDB Entry DOI: 10.7270/Q2PV6HKJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8420 (4-[(5Z)-5-{[5-(3-nitrophenyl)furan-2-yl]methyliden...) Show SMILES OC(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2cccc(c2)N(=O)=O)C1=O Show InChI InChI=1S/C18H14N2O6S2/c21-16(22)5-2-8-19-17(23)15(28-18(19)27)10-13-6-7-14(26-13)11-3-1-4-12(9-11)20(24)25/h1,3-4,6-7,9-10H,2,5,8H2,(H,21,22)/b15-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8462 (2-[(5Z)-5-{[5-(4-fluorophenyl)-1,3-thiazol-2-yl]me...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ncc(s2)-c2ccc(F)cc2)C1=O Show InChI InChI=1S/C15H9FN2O3S3/c16-9-3-1-8(2-4-9)11-6-17-12(23-11)5-10-14(21)18(7-13(19)20)15(22)24-10/h1-6H,7H2,(H,19,20)/b10-5-	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	2.24E+4	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				J Med Chem 49: 27-30 (2006) Article DOI: 10.1021/jm050892j BindingDB Entry DOI: 10.7270/Q2PV6HKJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8419 ((5Z)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-...) Show SMILES O=C1N(CCc2ccccc2)C(=S)S\C1=C/c1ccc(o1)-c1ccccc1N(=O)=O Show InChI InChI=1S/C22H16N2O4S2/c25-21-20(30-22(29)23(21)13-12-15-6-2-1-3-7-15)14-16-10-11-19(28-16)17-8-4-5-9-18(17)24(26)27/h1-11,14H,12-13H2/b20-14-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.19E+4	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8418 ((5Z)-3-(furan-2-ylmethyl)-5-{[5-(3-nitrophenyl)fur...) Show SMILES O=C1N(Cc2ccco2)C(=S)S\C1=C/c1ccc(o1)-c1cccc(c1)N(=O)=O Show InChI InChI=1S/C19H12N2O5S2/c22-18-17(28-19(27)20(18)11-15-5-2-8-25-15)10-14-6-7-16(26-14)12-3-1-4-13(9-12)21(23)24/h1-10H,11H2/b17-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.63E+4	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8417 ((5Z)-3-(4-hydroxyphenyl)-5-{[5-(4-nitrophenyl)fura...) Show SMILES Oc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)N(=O)=O)C1=O Show InChI InChI=1S/C20H12N2O5S2/c23-15-7-5-13(6-8-15)21-19(24)18(29-20(21)28)11-16-9-10-17(27-16)12-1-3-14(4-2-12)22(25)26/h1-11,23H/b18-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.77E+4	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8416 ((5Z)-5-{[5-(4-fluorophenyl)furan-2-yl]methylidene}...) Show SMILES Fc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(CC=C)C2=O)o1 Show InChI InChI=1S/C17H12FNO2S2/c1-2-9-19-16(20)15(23-17(19)22)10-13-7-8-14(21-13)11-3-5-12(18)6-4-11/h2-8,10H,1,9H2/b15-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8448 (2-[(5Z)-4-oxo-2-sulfanylidene-5-(1,3-thiazol-2-ylm...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2nccs2)C1=O Show InChI InChI=1S/C9H6N2O3S3/c12-7(13)4-11-8(14)5(17-9(11)15)3-6-10-1-2-16-6/h1-3H,4H2,(H,12,13)/b5-3-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8445 (2-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmeth...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2cccs2)C1=O Show InChI InChI=1S/C10H7NO3S3/c12-8(13)5-11-9(14)7(17-10(11)15)4-6-2-1-3-16-6/h1-4H,5H2,(H,12,13)/b7-4-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8455 (Creatinine acetic acid analogue 20 | [(5E)-5-{[5-(...) Show SMILES CN1C(NC(O)=O)=NC(=O)C1=Cc1ccc(o1)-c1ccc(Cl)cc1 |w:11.12,c:6| Show InChI InChI=1S/C16H12ClN3O4/c1-20-12(14(21)18-15(20)19-16(22)23)8-11-6-7-13(24-11)9-2-4-10(17)5-3-9/h2-8H,1H3,(H,22,23)(H,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				J Med Chem 49: 27-30 (2006) Article DOI: 10.1021/jm050892j BindingDB Entry DOI: 10.7270/Q2PV6HKJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8454 ((5E)-5-({5-[2-chloro-5-(trifluoromethyl)phenyl]fur...) Show SMILES CN1C(=N)NC(=O)\C1=C/c1ccc(o1)-c1cc(ccc1Cl)C(F)(F)F Show InChI InChI=1S/C16H11ClF3N3O2/c1-23-12(14(24)22-15(23)21)7-9-3-5-13(25-9)10-6-8(16(18,19)20)2-4-11(10)17/h2-7H,1H3,(H2,21,22,24)/b12-7+	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	1.00E+5	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				J Med Chem 49: 27-30 (2006) Article DOI: 10.1021/jm050892j BindingDB Entry DOI: 10.7270/Q2PV6HKJ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8436 (2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanyl...) Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccco2)C1=O Show InChI InChI=1S/C10H7NO4S2/c12-8(13)5-11-9(14)7(17-10(11)16)4-6-2-1-3-15-6/h1-4H,5H2,(H,12,13)/b7-4-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8415 ((5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}...) Show SMILES Clc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(Cc3ccco3)C2=O)o1 Show InChI InChI=1S/C19H12ClNO3S2/c20-13-5-3-12(4-6-13)16-8-7-14(24-16)10-17-18(22)21(19(25)26-17)11-15-2-1-9-23-15/h1-10H,11H2/b17-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute for Medical Research					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				Proc Natl Acad Sci U S A 102: 9499-504 (2005) Article DOI: 10.1073/pnas.0502733102 BindingDB Entry DOI: 10.7270/Q2TM78BQ
					More data for this Ligand-Target Pair
Lethal factor (Bacillus anthracis)	BDBM8453 ((5E)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}...) Show SMILES CN1C(=N)NC(=O)\C1=C/c1ccc(o1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C15H12ClN3O2/c1-19-12(14(20)18-15(19)17)8-11-6-7-13(21-11)9-2-4-10(16)5-3-9/h2-8H,1H3,(H2,17,18,20)/b12-8+	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	2.00E+5	n/a	n/a	n/a	n/a	7.4	22
Burnham Institute					Assay Description Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained MAPKKide, LF, and the small-molecule inhibitor. The C-t...				J Med Chem 49: 27-30 (2006) Article DOI: 10.1021/jm050892j BindingDB Entry DOI: 10.7270/Q2PV6HKJ
					More data for this Ligand-Target Pair

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