BDBM26551 4-(but-2-yn-1-yloxy)-N-methyl-N-(2-sulfanylethyl)benzene-1-sulfonamide::butynyloxy containing compound, 2

SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N(C)CCS

InChI Key InChIKey=IEFFRLNSCQIVBY-UHFFFAOYSA-N

Data  6 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 26551   

LigandPNGBDBM26551(4-(but-2-yn-1-yloxy)-N-methyl-N-(2-sulfanylethyl)b...)
Affinity DataKi:  56nM ΔG°:  -9.79kcal/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 Depth
Date in BDB:
1/25/2009
Entry Details Article
PubMed
TargetMatrix metalloproteinase-9(Human)
Vertex Pharmaceuticals

LigandPNGBDBM26551(4-(but-2-yn-1-yloxy)-N-methyl-N-(2-sulfanylethyl)b...)
Affinity DataKi:  200nM ΔG°:  -9.04kcal/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 Depth
Date in BDB:
1/25/2009
Entry Details Article
PubMed
TargetNeutrophil collagenase(Human)
Vertex Pharmaceuticals

LigandPNGBDBM26551(4-(but-2-yn-1-yloxy)-N-methyl-N-(2-sulfanylethyl)b...)
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 Depth
Date in BDB:
1/25/2009
Entry Details Article
PubMed
TargetCollagenase 3(Human)
Vertex Pharmaceuticals

LigandPNGBDBM26551(4-(but-2-yn-1-yloxy)-N-methyl-N-(2-sulfanylethyl)b...)
Affinity DataKi:  2.00E+3nM ΔG°:  -7.69kcal/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 Depth
Date in BDB:
1/25/2009
Entry Details Article
PubMed
Target72 kDa type IV collagenase(Human)
Vertex Pharmaceuticals

LigandPNGBDBM26551(4-(but-2-yn-1-yloxy)-N-methyl-N-(2-sulfanylethyl)b...)
Affinity DataKi:  5.70E+3nM ΔG°:  -7.08kcal/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 Depth
Date in BDB:
1/25/2009
Entry Details Article
PubMed
TargetMatrilysin(Human)
Vertex Pharmaceuticals

LigandPNGBDBM26551(4-(but-2-yn-1-yloxy)-N-methyl-N-(2-sulfanylethyl)b...)
Affinity DataKi:  3.30E+4nM ΔG°:  -6.05kcal/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 Depth
Date in BDB:
1/25/2009
Entry Details Article
PubMed