BDBM50082545 (S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,4]thiazepane-3-carboxylic acid hydroxyamide::(S)-N-hydroxy-4-(4-methoxyphenylsulfonyl)-2,2-dimethyl-1,4-thiazepane-3-carboxamide::CHEMBL140970

SMILES COc1ccc(cc1)S(=O)(=O)N1CCCSC(C)(C)[C@@H]1C(=O)NO

InChI Key InChIKey=CYYCSKFJEOSZTF-ZDUSSCGKSA-N

Data  15 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50082545   

TargetCollagenase 3(Homo sapiens (Human))
Procter And Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50082545((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)
Affinity DataIC50:  0.900nMAssay Description:In vitro inhibitory activity against collagenase-3 (matrix metalloprotease-13).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInterstitial collagenase(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50082545((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)
Affinity DataIC50:  0.800nMAssay Description:Inhibition of human interstitial recombinant N-terminal MMP1 expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as sub...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrilysin(Homo sapiens (Human))
Procter And Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50082545((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)
Affinity DataIC50:  30nMAssay Description:In vitro inhibitory activity against matrilysin (matrix metalloprotease-7).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInterstitial collagenase(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50082545((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)
Affinity DataIC50:  0.800nMAssay Description:In vitro inhibitory activity against truncated collagenase-1 (matrix metalloprotease-1).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Procter And Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50082545((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)
Affinity DataIC50:  1.90nMAssay Description:Inhibition of gelatinase-B (Matrix metalloprotease-9)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Homo sapiens (Human))
Procter And Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50082545((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)
Affinity DataIC50:  0.700nMAssay Description:In vitro inhibitory activity against matrix metalloprotease-3.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeutrophil collagenase(Homo sapiens (Human))
Procter And Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50082545((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)
Affinity DataIC50:  1.40nMAssay Description:Inhibition of neutrophil collagenase (Matrix metalloprotease-8)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Homo sapiens (Human))
Procter And Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50082545((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)
Affinity DataIC50:  0.708nMAssay Description:Inhibition of MMP3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Procter And Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50082545((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)
Affinity DataIC50:  1.90nMAssay Description:Inhibition of MMP9 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-1(Homo sapiens (Human))
Procter And Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50082545((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)
Affinity DataIC50:  0.700nMAssay Description:Inhibition of truncated human recombinant MMP3 catalytic domain expressed in Escherichia coli BL21(DE3) after 3 hrs in presence of [H]-transferrinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeutrophil collagenase(Homo sapiens (Human))
Procter And Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50082545((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)
Affinity DataIC50:  1.40nMAssay Description:Inhibition of MMP8 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50082545((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)
Affinity DataIC50:  2.70nMAssay Description:Inhibition of MMP2 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMatrilysin(Homo sapiens (Human))
Procter And Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50082545((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)
Affinity DataIC50:  30nMAssay Description:Inhibition of MMP7 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCollagenase 3(Homo sapiens (Human))
Procter And Gamble Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50082545((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)
Affinity DataIC50:  0.900nMAssay Description:Inhibition of MMP13 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 mi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50082545((S)-4-(4-Methoxy-benzenesulfonyl)-2,2-dimethyl-[1,...)
Affinity DataIC50:  2.70nMAssay Description:In vitro inhibitory activity against gelatinase-A (matrix metalloprotease-2).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed