BDBM26545 1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}piperidine-3-thiol::Racemic::thiol-arylsulfonamide, 4d

SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCC(S)C1

InChI Key InChIKey=NVJUVGMOOGFJLZ-UHFFFAOYSA-N

Data  5 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 26545   

LigandPNGBDBM26545(1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}piperidin...)
Affinity DataKi:  55nM ΔG°:  -9.80kcal/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°:  -9.51kcal/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

LigandPNGBDBM26545(1-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}piperidin...)
Affinity DataKi:  700nM ΔG°:  -8.31kcal/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°:  -8.23kcal/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°: >-7.45kcal/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