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PubMed code 19170530

Compile data set for download or QSAR
Found 28 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM27872
PNG
(N-(diphenylmethyl)-3-hydroxy-4-sulfanylidene-4H-py...)
Show SMILES Oc1c(occc1=S)C(=S)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H15NO2S2/c21-17-15(23)11-12-22-18(17)19(24)20-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,16,21H,(H,20,24)
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Article
PubMed
n/an/a 5.00E+3n/an/an/an/a7.025



Howard Hughes Medical Institute



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...


J Med Chem 52: 1063-74 (2009)


Article DOI: 10.1021/jm8013212
BindingDB Entry DOI: 10.7270/Q2DJ5CZV
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM27874
PNG
(3-hydroxy-N-[(3-methoxyphenyl)methyl]-4-sulfanylid...)
Show SMILES COc1cccc(CNC(=S)c2occc(=S)c2O)c1
Show InChI InChI=1S/C14H13NO3S2/c1-17-10-4-2-3-9(7-10)8-15-14(20)13-12(16)11(19)5-6-18-13/h2-7,16H,8H2,1H3,(H,15,20)
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PubMed
n/an/a 6.60E+3n/an/an/an/a7.025



Howard Hughes Medical Institute



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...


J Med Chem 52: 1063-74 (2009)


Article DOI: 10.1021/jm8013212
BindingDB Entry DOI: 10.7270/Q2DJ5CZV
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM27875
PNG
(N-benzyl-3-hydroxy-4-sulfanylidene-4H-pyran-2-carb...)
Show SMILES Oc1c(occc1=S)C(=S)NCc1ccccc1
Show InChI InChI=1S/C13H11NO2S2/c15-11-10(17)6-7-16-12(11)13(18)14-8-9-4-2-1-3-5-9/h1-7,15H,8H2,(H,14,18)
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PubMed
n/an/a 7.90E+3n/an/an/an/a7.025



Howard Hughes Medical Institute



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...


J Med Chem 52: 1063-74 (2009)


Article DOI: 10.1021/jm8013212
BindingDB Entry DOI: 10.7270/Q2DJ5CZV
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM27869
PNG
(3-hydroxy-N-[(4-phenylphenyl)methyl]-4-sulfanylide...)
Show SMILES Oc1c(occc1=S)C(=S)NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H15NO2S2/c21-17-16(23)10-11-22-18(17)19(24)20-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11,21H,12H2,(H,20,24)
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PubMed
n/an/a 8.30E+3n/an/an/an/a7.025



Howard Hughes Medical Institute



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...


J Med Chem 52: 1063-74 (2009)


Article DOI: 10.1021/jm8013212
BindingDB Entry DOI: 10.7270/Q2DJ5CZV
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM27873
PNG
(3-hydroxy-N-[(2-methoxyphenyl)methyl]-4-sulfanylid...)
Show SMILES COc1ccccc1CNC(=S)c1occc(=S)c1O
Show InChI InChI=1S/C14H13NO3S2/c1-17-10-5-3-2-4-9(10)8-15-14(20)13-12(16)11(19)6-7-18-13/h2-7,16H,8H2,1H3,(H,15,20)
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PubMed
n/an/a 8.70E+3n/an/an/an/a7.025



Howard Hughes Medical Institute



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...


J Med Chem 52: 1063-74 (2009)


Article DOI: 10.1021/jm8013212
BindingDB Entry DOI: 10.7270/Q2DJ5CZV
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM27870
PNG
(N-[(4-fluorophenyl)methyl]-3-hydroxy-4-sulfanylide...)
Show SMILES Oc1c(occc1=S)C(=S)NCc1ccc(F)cc1
Show InChI InChI=1S/C13H10FNO2S2/c14-9-3-1-8(2-4-9)7-15-13(19)12-11(16)10(18)5-6-17-12/h1-6,16H,7H2,(H,15,19)
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PubMed
n/an/a 9.20E+3n/an/an/an/a7.025



Howard Hughes Medical Institute



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...


J Med Chem 52: 1063-74 (2009)


Article DOI: 10.1021/jm8013212
BindingDB Entry DOI: 10.7270/Q2DJ5CZV
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM27871
PNG
(3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-sulfanylid...)
Show SMILES COc1ccc(CNC(=S)c2occc(=S)c2O)cc1
Show InChI InChI=1S/C14H13NO3S2/c1-17-10-4-2-9(3-5-10)8-15-14(20)13-12(16)11(19)6-7-18-13/h2-7,16H,8H2,1H3,(H,15,20)
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PubMed
n/an/a 1.06E+4n/an/an/an/a7.025



Howard Hughes Medical Institute



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...


J Med Chem 52: 1063-74 (2009)


Article DOI: 10.1021/jm8013212
BindingDB Entry DOI: 10.7270/Q2DJ5CZV
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM27876
PNG
(N-ethyl-3-hydroxy-4-sulfanylidene-4H-pyran-2-carbo...)
Show SMILES CCNC(=S)c1occc(=S)c1O
Show InChI InChI=1S/C8H9NO2S2/c1-2-9-8(13)7-6(10)5(12)3-4-11-7/h3-4,10H,2H2,1H3,(H,9,13)
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PubMed
n/an/a 1.14E+4n/an/an/an/a7.025



Howard Hughes Medical Institute



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...


J Med Chem 52: 1063-74 (2009)


Article DOI: 10.1021/jm8013212
BindingDB Entry DOI: 10.7270/Q2DJ5CZV
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM27859
PNG
(3-hydroxy-N-[(4-phenylphenyl)methyl]-4-sulfanylide...)
Show SMILES Oc1c(occc1=S)C(=O)NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H15NO3S/c21-17-16(24)10-11-23-18(17)19(22)20-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11,21H,12H2,(H,20,22)
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PubMed
n/an/a 1.32E+4n/an/an/an/a7.025



Howard Hughes Medical Institute



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...


J Med Chem 52: 1063-74 (2009)


Article DOI: 10.1021/jm8013212
BindingDB Entry DOI: 10.7270/Q2DJ5CZV
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM27862
PNG
(N-(diphenylmethyl)-3-hydroxy-4-sulfanylidene-4H-py...)
Show SMILES Oc1c(occc1=S)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H15NO3S/c21-17-15(24)11-12-23-18(17)19(22)20-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,16,21H,(H,20,22)
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PubMed
n/an/a 1.41E+4n/an/an/an/a7.025



Howard Hughes Medical Institute



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...


J Med Chem 52: 1063-74 (2009)


Article DOI: 10.1021/jm8013212
BindingDB Entry DOI: 10.7270/Q2DJ5CZV
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM27860
PNG
(N-[(4-fluorophenyl)methyl]-3-hydroxy-4-sulfanylide...)
Show SMILES Oc1c(occc1=S)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C13H10FNO3S/c14-9-3-1-8(2-4-9)7-15-13(17)12-11(16)10(19)5-6-18-12/h1-6,16H,7H2,(H,15,17)
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PubMed
n/an/a 2.92E+4n/an/an/an/a7.025



Howard Hughes Medical Institute



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...


J Med Chem 52: 1063-74 (2009)


Article DOI: 10.1021/jm8013212
BindingDB Entry DOI: 10.7270/Q2DJ5CZV
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM27863
PNG
(3-hydroxy-N-[(2-methoxyphenyl)methyl]-4-sulfanylid...)
Show SMILES COc1ccccc1CNC(=O)c1occc(=S)c1O
Show InChI InChI=1S/C14H13NO4S/c1-18-10-5-3-2-4-9(10)8-15-14(17)13-12(16)11(20)6-7-19-13/h2-7,16H,8H2,1H3,(H,15,17)
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PubMed
n/an/a 3.35E+4n/an/an/an/a7.025



Howard Hughes Medical Institute



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...


J Med Chem 52: 1063-74 (2009)


Article DOI: 10.1021/jm8013212
BindingDB Entry DOI: 10.7270/Q2DJ5CZV
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM27864
PNG
(3-hydroxy-N-[(3-methoxyphenyl)methyl]-4-sulfanylid...)
Show SMILES COc1cccc(CNC(=O)c2occc(=S)c2O)c1
Show InChI InChI=1S/C14H13NO4S/c1-18-10-4-2-3-9(7-10)8-15-14(17)13-12(16)11(20)5-6-19-13/h2-7,16H,8H2,1H3,(H,15,17)
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n/an/a 3.74E+4n/an/an/an/a7.025



Howard Hughes Medical Institute



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...


J Med Chem 52: 1063-74 (2009)


Article DOI: 10.1021/jm8013212
BindingDB Entry DOI: 10.7270/Q2DJ5CZV
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM27867
PNG
(1-hydroxy-N-[(4-phenylphenyl)methyl]-6-sulfanylide...)
Show SMILES On1c(cccc1=S)C(=O)NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O2S/c22-19(17-7-4-8-18(24)21(17)23)20-13-14-9-11-16(12-10-14)15-5-2-1-3-6-15/h1-12,23H,13H2,(H,20,22)
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n/an/a>5.00E+4n/an/an/an/a7.025



Howard Hughes Medical Institute



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...


J Med Chem 52: 1063-74 (2009)


Article DOI: 10.1021/jm8013212
BindingDB Entry DOI: 10.7270/Q2DJ5CZV
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM27861
PNG
(3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-sulfanylid...)
Show SMILES COc1ccc(CNC(=O)c2occc(=S)c2O)cc1
Show InChI InChI=1S/C14H13NO4S/c1-18-10-4-2-9(3-5-10)8-15-14(17)13-12(16)11(20)6-7-19-13/h2-7,16H,8H2,1H3,(H,15,17)
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PubMed
n/an/a 5.04E+4n/an/an/an/a7.025



Howard Hughes Medical Institute



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...


J Med Chem 52: 1063-74 (2009)


Article DOI: 10.1021/jm8013212
BindingDB Entry DOI: 10.7270/Q2DJ5CZV
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM27866
PNG
(N-ethyl-3-hydroxy-4-sulfanylidene-4H-pyran-2-carbo...)
Show SMILES CCNC(=O)c1occc(=S)c1O
Show InChI InChI=1S/C8H9NO3S/c1-2-9-8(11)7-6(10)5(13)3-4-12-7/h3-4,10H,2H2,1H3,(H,9,11)
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n/an/a 7.25E+4n/an/an/an/a7.025



Howard Hughes Medical Institute



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...


J Med Chem 52: 1063-74 (2009)


Article DOI: 10.1021/jm8013212
BindingDB Entry DOI: 10.7270/Q2DJ5CZV
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM27855
PNG
(N-benzyl-3-hydroxy-4-oxo-4H-pyran-2-carboxamide | ...)
Show SMILES Oc1c(occc1=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C13H11NO4/c15-10-6-7-18-12(11(10)16)13(17)14-8-9-4-2-1-3-5-9/h1-7,16H,8H2,(H,14,17)
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n/an/a>1.00E+5n/an/an/an/a7.025



Howard Hughes Medical Institute



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...


J Med Chem 52: 1063-74 (2009)


Article DOI: 10.1021/jm8013212
BindingDB Entry DOI: 10.7270/Q2DJ5CZV
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM27853
PNG
(3-hydroxy-N-[(2-methoxyphenyl)methyl]-4-oxo-4H-pyr...)
Show SMILES COc1ccccc1CNC(=O)c1occc(=O)c1O
Show InChI InChI=1S/C14H13NO5/c1-19-11-5-3-2-4-9(11)8-15-14(18)13-12(17)10(16)6-7-20-13/h2-7,17H,8H2,1H3,(H,15,18)
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n/an/a>1.00E+5n/an/an/an/a7.025



Howard Hughes Medical Institute



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...


J Med Chem 52: 1063-74 (2009)


Article DOI: 10.1021/jm8013212
BindingDB Entry DOI: 10.7270/Q2DJ5CZV
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM27852
PNG
(N-(diphenylmethyl)-3-hydroxy-4-oxo-4H-pyran-2-carb...)
Show SMILES Oc1c(occc1=O)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H15NO4/c21-15-11-12-24-18(17(15)22)19(23)20-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,16,22H,(H,20,23)
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n/an/a>1.00E+5n/an/an/an/a7.025



Howard Hughes Medical Institute



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...


J Med Chem 52: 1063-74 (2009)


Article DOI: 10.1021/jm8013212
BindingDB Entry DOI: 10.7270/Q2DJ5CZV
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM27850
PNG
(N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-4H-pyra...)
Show SMILES Oc1c(occc1=O)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C13H10FNO4/c14-9-3-1-8(2-4-9)7-15-13(18)12-11(17)10(16)5-6-19-12/h1-6,17H,7H2,(H,15,18)
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n/an/a>1.00E+5n/an/an/an/a7.025



Howard Hughes Medical Institute



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...


J Med Chem 52: 1063-74 (2009)


Article DOI: 10.1021/jm8013212
BindingDB Entry DOI: 10.7270/Q2DJ5CZV
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM27868
PNG
(N-[(4-fluorophenyl)methyl]-1-hydroxy-6-sulfanylide...)
Show SMILES On1c(cccc1=S)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C13H11FN2O2S/c14-10-6-4-9(5-7-10)8-15-13(17)11-2-1-3-12(19)16(11)18/h1-7,18H,8H2,(H,15,17)
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PubMed
n/an/a>1.00E+5n/an/an/an/a7.025



Howard Hughes Medical Institute



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...


J Med Chem 52: 1063-74 (2009)


Article DOI: 10.1021/jm8013212
BindingDB Entry DOI: 10.7270/Q2DJ5CZV
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM27854
PNG
(3-hydroxy-N-[(3-methoxyphenyl)methyl]-4-oxo-4H-pyr...)
Show SMILES COc1cccc(CNC(=O)c2occc(=O)c2O)c1
Show InChI InChI=1S/C14H13NO5/c1-19-10-4-2-3-9(7-10)8-15-14(18)13-12(17)11(16)5-6-20-13/h2-7,17H,8H2,1H3,(H,15,18)
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PubMed
n/an/a>1.00E+5n/an/an/an/a7.025



Howard Hughes Medical Institute



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...


J Med Chem 52: 1063-74 (2009)


Article DOI: 10.1021/jm8013212
BindingDB Entry DOI: 10.7270/Q2DJ5CZV
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM27851
PNG
(3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxo-4H-pyr...)
Show SMILES COc1ccc(CNC(=O)c2occc(=O)c2O)cc1
Show InChI InChI=1S/C14H13NO5/c1-19-10-4-2-9(3-5-10)8-15-14(18)13-12(17)11(16)6-7-20-13/h2-7,17H,8H2,1H3,(H,15,18)
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PubMed
n/an/a>1.00E+5n/an/an/an/a7.025



Howard Hughes Medical Institute



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...


J Med Chem 52: 1063-74 (2009)


Article DOI: 10.1021/jm8013212
BindingDB Entry DOI: 10.7270/Q2DJ5CZV
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM27858
PNG
(N-[(4-fluorophenyl)methyl]-1-hydroxy-6-oxo-1,6-dih...)
Show SMILES On1c(cccc1=O)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C13H11FN2O3/c14-10-6-4-9(5-7-10)8-15-13(18)11-2-1-3-12(17)16(11)19/h1-7,19H,8H2,(H,15,18)
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PubMed
n/an/a>1.00E+5n/an/an/an/a7.025



Howard Hughes Medical Institute



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...


J Med Chem 52: 1063-74 (2009)


Article DOI: 10.1021/jm8013212
BindingDB Entry DOI: 10.7270/Q2DJ5CZV
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM27857
PNG
(1-hydroxy-6-oxo-N-[(4-phenylphenyl)methyl]-1,6-dih...)
Show SMILES On1c(cccc1=O)C(=O)NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H16N2O3/c22-18-8-4-7-17(21(18)24)19(23)20-13-14-9-11-16(12-10-14)15-5-2-1-3-6-15/h1-12,24H,13H2,(H,20,23)
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PubMed
n/an/a>1.00E+5n/an/an/an/a7.025



Howard Hughes Medical Institute



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...


J Med Chem 52: 1063-74 (2009)


Article DOI: 10.1021/jm8013212
BindingDB Entry DOI: 10.7270/Q2DJ5CZV
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM27849
PNG
(3-hydroxy-4-oxo-N-[(4-phenylphenyl)methyl]-4H-pyra...)
Show SMILES Oc1c(occc1=O)C(=O)NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H15NO4/c21-16-10-11-24-18(17(16)22)19(23)20-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11,22H,12H2,(H,20,23)
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PubMed
n/an/a>1.00E+5n/an/an/an/a7.025



Howard Hughes Medical Institute



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...


J Med Chem 52: 1063-74 (2009)


Article DOI: 10.1021/jm8013212
BindingDB Entry DOI: 10.7270/Q2DJ5CZV
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM27865
PNG
(N-benzyl-3-hydroxy-4-sulfanylidene-4H-pyran-2-carb...)
Show SMILES Oc1c(occc1=S)C(=O)NCc1ccccc1
Show InChI InChI=1S/C13H11NO3S/c15-11-10(18)6-7-17-12(11)13(16)14-8-9-4-2-1-3-5-9/h1-7,15H,8H2,(H,14,16)
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PubMed
n/an/a>1.00E+5n/an/an/an/a7.025



Howard Hughes Medical Institute



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...


J Med Chem 52: 1063-74 (2009)


Article DOI: 10.1021/jm8013212
BindingDB Entry DOI: 10.7270/Q2DJ5CZV
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM27856
PNG
(N-ethyl-3-hydroxy-4-oxo-4H-pyran-2-carboxamide | h...)
Show SMILES CCNC(=O)c1occc(=O)c1O
Show InChI InChI=1S/C8H9NO4/c1-2-9-8(12)7-6(11)5(10)3-4-13-7/h3-4,11H,2H2,1H3,(H,9,12)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.025



Howard Hughes Medical Institute



Assay Description
Fluorescence peptide cleavage assay was performed in a 96-well plate. Each reaction contained fluorogenic peptide substrate, LF, and small-molecule i...


J Med Chem 52: 1063-74 (2009)


Article DOI: 10.1021/jm8013212
BindingDB Entry DOI: 10.7270/Q2DJ5CZV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%