Compile Data Set for Download or QSAR
maximum 50k data
Found 30 Enz. Inhib. hit(s) with all data for entry = 2978
LigandPNGBDBM26549((3R)-1-{[4-(but-2-yn-1-ylamino)benzene]sulfonyl}py...)
Affinity DataKi:  5nM ΔG°:  -46.9kJ/molepH: 7.5 T: 2°CAssay Description:The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM26550(2-{[4-(but-2-yn-1-yloxy)benzene](methyl)sulfonamid...)
Affinity DataKi:  10nM ΔG°:  -45.2kJ/molepH: 7.5 T: 2°CAssay Description:The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM26548(1-{[4-(but-2-yn-1-ylamino)benzene]sulfonyl}azetidi...)
Affinity DataKi:  11nM ΔG°:  -45.0kJ/molepH: 7.5 T: 2°CAssay Description:The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM26542(1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}azetidine...)
Affinity DataKi:  13nM ΔG°:  -44.6kJ/molepH: 7.5 T: 2°CAssay Description:The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCollagenase 3(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM26550(2-{[4-(but-2-yn-1-yloxy)benzene](methyl)sulfonamid...)
Affinity DataKi:  17nM ΔG°:  -43.9kJ/molepH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM26550(2-{[4-(but-2-yn-1-yloxy)benzene](methyl)sulfonamid...)
Affinity DataKi:  27nM ΔG°:  -42.8kJ/molepH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM26552(4-(but-2-yn-1-yloxy)-N-methyl-N-[(2S)-2-sulfanylpr...)
Affinity DataKi:  27nM ΔG°:  -42.8kJ/molepH: 7.5 T: 2°CAssay Description:The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM26543((3R)-1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}pyrr...)
Affinity DataKi:  28nM ΔG°:  -42.7kJ/molepH: 7.5 T: 2°CAssay Description:The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM26544((3S)-1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}pyrr...)
Affinity DataKi:  33nM ΔG°:  -42.3kJ/molepH: 7.5 T: 2°CAssay Description:The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep...More data for this Ligand-Target Pair
TargetNeutrophil collagenase(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM26550(2-{[4-(but-2-yn-1-yloxy)benzene](methyl)sulfonamid...)
Affinity DataKi:  43nM ΔG°:  -41.6kJ/molepH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM26545(1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}piperidin...)
Affinity DataKi:  55nM ΔG°:  -41.0kJ/molepH: 7.5 T: 2°CAssay Description:The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM26551(4-(but-2-yn-1-yloxy)-N-methyl-N-(2-sulfanylethyl)b...)
Affinity DataKi:  56nM ΔG°:  -41.0kJ/molepH: 7.5 T: 2°CAssay Description:The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM26545(1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}piperidin...)
Affinity DataKi:  90nM ΔG°:  -39.8kJ/molepH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM26543((3R)-1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}pyrr...)
Affinity DataKi:  200nM ΔG°:  -37.9kJ/molepH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM26551(4-(but-2-yn-1-yloxy)-N-methyl-N-(2-sulfanylethyl)b...)
Affinity DataKi:  200nM ΔG°:  -37.9kJ/molepH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM26546((3R)-1-[(4-{[4-(piperidin-1-yl)but-2-yn-1-yl]oxy}b...)
Affinity DataKi:  530nM ΔG°:  -35.5kJ/molepH: 7.5 T: 2°CAssay Description:The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCollagenase 3(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM26545(1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}piperidin...)
Affinity DataKi:  700nM ΔG°:  -34.8kJ/molepH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeutrophil collagenase(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM26545(1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}piperidin...)
Affinity DataKi:  800nM ΔG°:  -34.4kJ/molepH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM26550(2-{[4-(but-2-yn-1-yloxy)benzene](methyl)sulfonamid...)
Affinity DataKi:  800nM ΔG°:  -34.4kJ/molepH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCollagenase 3(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM26543((3R)-1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}pyrr...)
Affinity DataKi:  1.20E+3nM ΔG°:  -33.5kJ/molepH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeutrophil collagenase(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM26551(4-(but-2-yn-1-yloxy)-N-methyl-N-(2-sulfanylethyl)b...)
Affinity DataKi:  1.30E+3nM ΔG°:  -33.3kJ/molepH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeutrophil collagenase(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM26543((3R)-1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}pyrr...)
Affinity DataKi:  1.90E+3nM ΔG°:  -32.3kJ/molepH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCollagenase 3(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM26551(4-(but-2-yn-1-yloxy)-N-methyl-N-(2-sulfanylethyl)b...)
Affinity DataKi:  2.00E+3nM ΔG°:  -32.2kJ/molepH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM26545(1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}piperidin...)
Affinity DataKi: >3.00E+3nM ΔG°: >-31.2kJ/molepH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM26547((3R)-1-[(4-{[4-(4-methylpiperazin-1-yl)but-2-yn-1-...)
Affinity DataKi:  3.40E+3nM ΔG°:  -30.9kJ/molepH: 7.5 T: 2°CAssay Description:The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrilysin(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM26550(2-{[4-(but-2-yn-1-yloxy)benzene](methyl)sulfonamid...)
Affinity DataKi:  3.40E+3nM ΔG°:  -30.9kJ/molepH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM26543((3R)-1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}pyrr...)
Affinity DataKi:  5.00E+3nM ΔG°:  -30.0kJ/molepH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM26551(4-(but-2-yn-1-yloxy)-N-methyl-N-(2-sulfanylethyl)b...)
Affinity DataKi:  5.70E+3nM ΔG°:  -29.6kJ/molepH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrilysin(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM26543((3R)-1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}pyrr...)
Affinity DataKi: >6.00E+3nM ΔG°: >-29.5kJ/molepH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrilysin(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM26551(4-(but-2-yn-1-yloxy)-N-methyl-N-(2-sulfanylethyl)b...)
Affinity DataKi:  3.30E+4nM ΔG°:  -25.3kJ/molepH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed