BDBM23498 (3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide::CHEMBL207729::TMI-1

SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO

InChI Key InChIKey=CVZIHNYAZLXRRS-HNNXBMFYSA-N

Data  18 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 23498   

TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Wyeth Research

LigandPNGBDBM23498((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Affinity DataIC50:  8.40nMpH: 7.4 T: 2°CAssay Description:Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...More data for this Ligand-Target Pair
TargetCollagenase 3(Homo sapiens (Human))
The M. S. University Of Baroda

Curated by ChEMBL
LigandPNGBDBM23498((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Affinity DataIC50:  3nMAssay Description:Inhibition of MMP13More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
Wyeth Research

LigandPNGBDBM23498((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Affinity DataIC50:  4.70nMpH: 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))
Wyeth Research

LigandPNGBDBM23498((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Affinity DataIC50:  26nMpH: 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))
Wyeth Research

LigandPNGBDBM23498((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Affinity DataIC50:  12nMpH: 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))
The M. S. University Of Baroda

Curated by ChEMBL
LigandPNGBDBM23498((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Affinity DataIC50:  3nMpH: 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-14(Homo sapiens (Human))
Wyeth Research

LigandPNGBDBM23498((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Affinity DataIC50:  26nMpH: 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
LigandPNGBDBM23498((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Affinity DataIC50:  100nMpH: 7.5 T: 2°CAssay Description:The recombinant Agg-1 proteins pretreated with the various concentrations of the compound for 10 to 15 min. The reaction was initiated by addition of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Wyeth Research

LigandPNGBDBM23498((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Affinity DataIC50:  8nMpH: 7.4 T: 2°CAssay Description:Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...More data for this Ligand-Target Pair
Target72 kDa type IV collagenase(Homo sapiens (Human))
Wyeth Research

LigandPNGBDBM23498((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Affinity DataIC50:  4.70nMpH: 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))
The M. S. University Of Baroda

Curated by ChEMBL
LigandPNGBDBM23498((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Affinity DataIC50:  2.40nMT: 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
TargetInterstitial collagenase(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM23498((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Affinity DataIC50:  7nMAssay Description:Inhibition of MMP1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Wyeth Research

LigandPNGBDBM23498((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Affinity DataIC50:  8nMAssay Description:Inhibition of TACEMore data for this Ligand-Target Pair
TargetCollagenase 3(Homo sapiens (Human))
The M. S. University Of Baroda

Curated by ChEMBL
LigandPNGBDBM23498((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Affinity DataIC50:  3nMAssay Description:Inhibition of MMP13More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDisintegrin and metalloproteinase domain-containing protein 17(Homo sapiens (Human))
Wyeth Research

LigandPNGBDBM23498((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Affinity DataIC50:  8.40nMAssay Description:Inhibition of TACEMore data for this Ligand-Target Pair
TargetInterstitial collagenase(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM23498((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Affinity DataIC50:  6.60nMAssay Description:Inhibition of MMP1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
Wyeth Research

LigandPNGBDBM23498((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Affinity DataIC50:  4.70nMAssay Description:Inhibition of MMP2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInterstitial collagenase(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM23498((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)
Affinity DataIC50:  6.60nMpH: 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