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5 similar compounds to monomer 26552

Wt: 297.3
BDBM26542
Wt: 311.4
BDBM26543
Wt: 311.4
BDBM26544
Wt: 325.4
BDBM26545
Wt: 299.4
BDBM26551

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 26542,26543,26544,26545,26551   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
TNF-alpha-Converting Enzyme


(Homo sapiens (human))
BDBM26542
PNG
(1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}azetidine...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CC(S)C1
Show InChI InChI=1S/C13H15NO3S2/c1-2-3-8-17-11-4-6-13(7-5-11)19(15,16)14-9-12(18)10-14/h4-7,12,18H,8-10H2,1H3
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13 -10.6n/an/an/an/an/a7.522



Vertex Pharmaceuticals



Assay Description
The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep...


Bioorg Med Chem Lett 17: 2250-3 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
TNF-alpha-Converting Enzyme


(Homo sapiens (human))
BDBM26543
PNG
((3R)-1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}pyrr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CC[C@@H](S)C1
Show InChI InChI=1S/C14H17NO3S2/c1-2-3-10-18-12-4-6-14(7-5-12)20(16,17)15-9-8-13(19)11-15/h4-7,13,19H,8-11H2,1H3/t13-/m1/s1
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28 -10.2n/an/an/an/an/a7.522



Vertex Pharmaceuticals



Assay Description
The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep...


Bioorg Med Chem Lett 18: 44-8 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
TNF-alpha-Converting Enzyme


(Homo sapiens (human))
BDBM26543
PNG
((3R)-1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}pyrr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CC[C@@H](S)C1
Show InChI InChI=1S/C14H17NO3S2/c1-2-3-10-18-12-4-6-14(7-5-12)20(16,17)15-9-8-13(19)11-15/h4-7,13,19H,8-11H2,1H3/t13-/m1/s1
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28 -10.2n/an/an/an/an/a7.522



Vertex Pharmaceuticals



Assay Description
The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep...


Bioorg Med Chem Lett 17: 2250-3 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
TNF-alpha-Converting Enzyme


(Homo sapiens (human))
BDBM26544
PNG
((3S)-1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}pyrr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CC[C@H](S)C1
Show InChI InChI=1S/C14H17NO3S2/c1-2-3-10-18-12-4-6-14(7-5-12)20(16,17)15-9-8-13(19)11-15/h4-7,13,19H,8-11H2,1H3/t13-/m0/s1
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33 -10.1n/an/an/an/an/a7.522



Vertex Pharmaceuticals



Assay Description
The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep...


Bioorg Med Chem Lett 17: 2250-3 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TNF-alpha-Converting Enzyme


(Homo sapiens (human))
BDBM26545
PNG
(1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}piperidin...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCC(S)C1
Show InChI InChI=1S/C15H19NO3S2/c1-2-3-11-19-13-6-8-15(9-7-13)21(17,18)16-10-4-5-14(20)12-16/h6-9,14,20H,4-5,10-12H2,1H3
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55 -9.80n/an/an/an/an/a7.522



Vertex Pharmaceuticals



Assay Description
The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep...


Bioorg Med Chem Lett 17: 2250-3 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
TNF-alpha-Converting Enzyme


(Homo sapiens (human))
BDBM26551
PNG
(4-(but-2-yn-1-yloxy)-N-methyl-N-(2-sulfanylethyl)b...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(C)CCS
Show InChI InChI=1S/C13H17NO3S2/c1-3-4-10-17-12-5-7-13(8-6-12)19(15,16)14(2)9-11-18/h5-8,18H,9-11H2,1-2H3
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56 -9.79n/an/an/an/an/a7.522



Vertex Pharmaceuticals



Assay Description
The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep...


Bioorg Med Chem Lett 17: 2250-3 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Collagenase


(Homo sapiens (Human))
BDBM26545
PNG
(1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}piperidin...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCC(S)C1
Show InChI InChI=1S/C15H19NO3S2/c1-2-3-11-19-13-6-8-15(9-7-13)21(17,18)16-10-4-5-14(20)12-16/h6-9,14,20H,4-5,10-12H2,1H3
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90 -9.51n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 17: 2250-3 (2007)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM26543
PNG
((3R)-1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}pyrr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CC[C@@H](S)C1
Show InChI InChI=1S/C14H17NO3S2/c1-2-3-10-18-12-4-6-14(7-5-12)20(16,17)15-9-8-13(19)11-15/h4-7,13,19H,8-11H2,1H3/t13-/m1/s1
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200 -9.04n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 18: 44-8 (2008)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM26543
PNG
((3R)-1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}pyrr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CC[C@@H](S)C1
Show InChI InChI=1S/C14H17NO3S2/c1-2-3-10-18-12-4-6-14(7-5-12)20(16,17)15-9-8-13(19)11-15/h4-7,13,19H,8-11H2,1H3/t13-/m1/s1
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200 -9.04n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 17: 2250-3 (2007)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM26551
PNG
(4-(but-2-yn-1-yloxy)-N-methyl-N-(2-sulfanylethyl)b...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(C)CCS
Show InChI InChI=1S/C13H17NO3S2/c1-3-4-10-17-12-5-7-13(8-6-12)19(15,16)14(2)9-11-18/h5-8,18H,9-11H2,1-2H3
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200 -9.04n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 17: 2250-3 (2007)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM26545
PNG
(1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}piperidin...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCC(S)C1
Show InChI InChI=1S/C15H19NO3S2/c1-2-3-11-19-13-6-8-15(9-7-13)21(17,18)16-10-4-5-14(20)12-16/h6-9,14,20H,4-5,10-12H2,1H3
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700 -8.31n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 17: 2250-3 (2007)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM26545
PNG
(1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}piperidin...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCC(S)C1
Show InChI InChI=1S/C15H19NO3S2/c1-2-3-11-19-13-6-8-15(9-7-13)21(17,18)16-10-4-5-14(20)12-16/h6-9,14,20H,4-5,10-12H2,1H3
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800 -8.23n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 17: 2250-3 (2007)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM26543
PNG
((3R)-1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}pyrr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CC[C@@H](S)C1
Show InChI InChI=1S/C14H17NO3S2/c1-2-3-10-18-12-4-6-14(7-5-12)20(16,17)15-9-8-13(19)11-15/h4-7,13,19H,8-11H2,1H3/t13-/m1/s1
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PubMed
1.20E+3 -7.99n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 17: 2250-3 (2007)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM26543
PNG
((3R)-1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}pyrr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CC[C@@H](S)C1
Show InChI InChI=1S/C14H17NO3S2/c1-2-3-10-18-12-4-6-14(7-5-12)20(16,17)15-9-8-13(19)11-15/h4-7,13,19H,8-11H2,1H3/t13-/m1/s1
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PubMed
1.20E+3 -7.99n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 18: 44-8 (2008)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM26551
PNG
(4-(but-2-yn-1-yloxy)-N-methyl-N-(2-sulfanylethyl)b...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(C)CCS
Show InChI InChI=1S/C13H17NO3S2/c1-3-4-10-17-12-5-7-13(8-6-12)19(15,16)14(2)9-11-18/h5-8,18H,9-11H2,1-2H3
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PubMed
1.30E+3 -7.94n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 17: 2250-3 (2007)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM26543
PNG
((3R)-1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}pyrr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CC[C@@H](S)C1
Show InChI InChI=1S/C14H17NO3S2/c1-2-3-10-18-12-4-6-14(7-5-12)20(16,17)15-9-8-13(19)11-15/h4-7,13,19H,8-11H2,1H3/t13-/m1/s1
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PubMed
1.90E+3 -7.72n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 17: 2250-3 (2007)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM26543
PNG
((3R)-1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}pyrr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CC[C@@H](S)C1
Show InChI InChI=1S/C14H17NO3S2/c1-2-3-10-18-12-4-6-14(7-5-12)20(16,17)15-9-8-13(19)11-15/h4-7,13,19H,8-11H2,1H3/t13-/m1/s1
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PubMed
1.90E+3 -7.72n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 18: 44-8 (2008)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM26551
PNG
(4-(but-2-yn-1-yloxy)-N-methyl-N-(2-sulfanylethyl)b...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(C)CCS
Show InChI InChI=1S/C13H17NO3S2/c1-3-4-10-17-12-5-7-13(8-6-12)19(15,16)14(2)9-11-18/h5-8,18H,9-11H2,1-2H3
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PubMed
2.00E+3 -7.69n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 17: 2250-3 (2007)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM26545
PNG
(1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}piperidin...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCC(S)C1
Show InChI InChI=1S/C15H19NO3S2/c1-2-3-11-19-13-6-8-15(9-7-13)21(17,18)16-10-4-5-14(20)12-16/h6-9,14,20H,4-5,10-12H2,1H3
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>3.00E+3>-7.45n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 17: 2250-3 (2007)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM26543
PNG
((3R)-1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}pyrr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CC[C@@H](S)C1
Show InChI InChI=1S/C14H17NO3S2/c1-2-3-10-18-12-4-6-14(7-5-12)20(16,17)15-9-8-13(19)11-15/h4-7,13,19H,8-11H2,1H3/t13-/m1/s1
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PubMed
5.00E+3 -7.15n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 17: 2250-3 (2007)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM26543
PNG
((3R)-1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}pyrr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CC[C@@H](S)C1
Show InChI InChI=1S/C14H17NO3S2/c1-2-3-10-18-12-4-6-14(7-5-12)20(16,17)15-9-8-13(19)11-15/h4-7,13,19H,8-11H2,1H3/t13-/m1/s1
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PubMed
5.00E+3 -7.15n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 18: 44-8 (2008)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM26551
PNG
(4-(but-2-yn-1-yloxy)-N-methyl-N-(2-sulfanylethyl)b...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(C)CCS
Show InChI InChI=1S/C13H17NO3S2/c1-3-4-10-17-12-5-7-13(8-6-12)19(15,16)14(2)9-11-18/h5-8,18H,9-11H2,1-2H3
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5.70E+3 -7.08n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 17: 2250-3 (2007)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM26543
PNG
((3R)-1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}pyrr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CC[C@@H](S)C1
Show InChI InChI=1S/C14H17NO3S2/c1-2-3-10-18-12-4-6-14(7-5-12)20(16,17)15-9-8-13(19)11-15/h4-7,13,19H,8-11H2,1H3/t13-/m1/s1
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>6.00E+3>-7.05n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 17: 2250-3 (2007)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM26543
PNG
((3R)-1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}pyrr...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CC[C@@H](S)C1
Show InChI InChI=1S/C14H17NO3S2/c1-2-3-10-18-12-4-6-14(7-5-12)20(16,17)15-9-8-13(19)11-15/h4-7,13,19H,8-11H2,1H3/t13-/m1/s1
PDB
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PubMed
>6.00E+3>-7.05n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 18: 44-8 (2008)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM26551
PNG
(4-(but-2-yn-1-yloxy)-N-methyl-N-(2-sulfanylethyl)b...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(C)CCS
Show InChI InChI=1S/C13H17NO3S2/c1-3-4-10-17-12-5-7-13(8-6-12)19(15,16)14(2)9-11-18/h5-8,18H,9-11H2,1-2H3
PDB
MMDB

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Article
PubMed
3.30E+4 -6.05n/an/an/an/an/a7.422



Vertex Pharmaceuticals



Assay Description
A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...


Bioorg Med Chem Lett 17: 2250-3 (2007)

More data for this
Ligand-Target Pair