BDBM26554 3-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}propane-1-thiol::CHEMBL402747::thiol-aryl sulfone, 8b

SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CCCS

InChI Key InChIKey=CARKQNSZFCLNKM-UHFFFAOYSA-N

Data  12 KI

PDB links: 1 PDB ID matches this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 26554   

LigandPNGBDBM26554(3-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}propane-1...)
Affinity DataKi:  10nM ΔG°:  -10.8kcal/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
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
University Of Athens

Curated by ChEMBL
LigandPNGBDBM26554(3-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}propane-1...)
Affinity DataKi:  10nMAssay Description:Inhibition of TACEMore data for this Ligand-Target Pair
Target72 kDa type IV collagenase(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM26554(3-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}propane-1...)
Affinity DataKi:  1.30E+3nM ΔG°:  -7.94kcal/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

LigandPNGBDBM26554(3-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}propane-1...)
Affinity DataKi:  1.30E+3nMAssay Description:Inhibition of MMP2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCollagenase 3(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM26554(3-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}propane-1...)
Affinity DataKi:  1.70E+3nM ΔG°:  -7.79kcal/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

LigandPNGBDBM26554(3-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}propane-1...)
Affinity DataKi:  1.70E+3nMAssay Description:Inhibition of MMP13More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrilysin(Homo sapiens (Human))
Vertex Pharmaceuticals

LigandPNGBDBM26554(3-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}propane-1...)
Affinity DataKi: >2.50E+3nM ΔG°: >-7.56kcal/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

LigandPNGBDBM26554(3-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}propane-1...)
Affinity DataKi: >2.50E+3nMAssay Description:Inhibition of MMP7More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeutrophil collagenase(Homo sapiens (Human))
University Of Athens

Curated by ChEMBL
LigandPNGBDBM26554(3-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}propane-1...)
Affinity DataKi:  2.70E+3nMAssay Description:Inhibition of MMP8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeutrophil collagenase(Homo sapiens (Human))
University Of Athens

Curated by ChEMBL
LigandPNGBDBM26554(3-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}propane-1...)
Affinity DataKi:  2.70E+3nM ΔG°:  -7.52kcal/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))
University Of Athens

Curated by ChEMBL
LigandPNGBDBM26554(3-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}propane-1...)
Affinity DataKi:  6.30E+3nMAssay Description:Inhibition of MMP9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
University Of Athens

Curated by ChEMBL
LigandPNGBDBM26554(3-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}propane-1...)
Affinity DataKi:  6.30E+3nM ΔG°:  -7.02kcal/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