BDBM50025159 CHEMBL3337869

SMILES COc1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1

InChI Key InChIKey=AARSEFXVCWMMKV-UHFFFAOYSA-N

Data  39 IC50

PDB links: 1 PDB ID matches this monomer.

  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 39 hits for monomerid = 50025159   

TargetInterstitial collagenase(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human recombinant MMP1 using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetStromelysin-1(Human)
Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of APMA-activated recombinant human MMP-3 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetStromelysin-1(Human)
Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human recombinant MMP3 using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMatrilysin(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human recombinant MMP7 using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetNeutrophil collagenase(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of human recombinant MMP8 using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMatrix metalloproteinase-9(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human recombinant MMP9 using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetStromelysin-2(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50:  3.40E+3nMAssay Description:Inhibition of human recombinant MMP10 using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMatrix metalloproteinase-14(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human recombinant MMP14 using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human recombinant TACE using Cy3-PLAQAV(Cy5QL-2,3-diaminopropionic acid)-RSSSR-NH2 substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCollagenase 3(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50:  12nMAssay Description:Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human recombinant TACE using Cy3-PLAQAV(Cy5Q-L-2,3-diaminopropionic acid)-RSSSRNH2 as substrate after 40 mins by spectrofluorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMatrix metalloproteinase-14(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human recombinant GST-tagged MMP14 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetStromelysin-2(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50:  3.40E+3nMAssay Description:Inhibition of human recombinant MMP10 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMatrix metalloproteinase-9(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human recombinant MMP9 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetNeutrophil collagenase(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of human recombinant MMP8 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMatrilysin(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human recombinant MMP7 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetStromelysin-1(Human)
Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human recombinant MMP3 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Target72 kDa type IV collagenase(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50:  300nMAssay Description:Inhibition of human recombinant MMP2 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetInterstitial collagenase(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human recombinant MMP1 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCollagenase 3(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50:  12nMAssay Description:Inhibition of human recombinant MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetStromelysin-2(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50:  3.40E+3nMAssay Description:Inhibition of recombinant human AMPA-activated MMP10 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetInterstitial collagenase(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant human AMPA-activated MMP1 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Target72 kDa type IV collagenase(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50:  300nMAssay Description:Inhibition of recombinant human AMPA-activated MMP2 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCollagenase 3(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50:  5.60nMAssay Description:Inhibition of recombinant human AMPA-activated MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetNeutrophil collagenase(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of recombinant human AMPA-activated MMP8 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMatrilysin(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant human AMPA-activated MMP7 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant human TACE using Cy3-PLAQAV(Cy5Q-L-2,3-diaminopropionic acid)-RSSSR-NH2 as substrate measured after 40 mins by spectrofluor...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMatrix metalloproteinase-9(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant human AMPA-activated MMP9 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMatrix metalloproteinase-14(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant human GST-tagged MMP14 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetStromelysin-1(Human)
Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant human AMPA-activated MMP3 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Target72 kDa type IV collagenase(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50:  300nMAssay Description:Inhibition of APMA-activated recombinant human MMP-2 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetNeutrophil collagenase(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of APMA-activated recombinant human MMP-8 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetStromelysin-2(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50:  3.40E+3nMAssay Description:Inhibition of APMA-activated recombinant human MMP-10 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetInterstitial collagenase(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of APMA-activated recombinant human MMP-1 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMatrilysin(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of APMA-activated recombinant human MMP-7 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMatrix metalloproteinase-9(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of APMA-activated recombinant human MMP-9 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofluorimetric m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMatrix metalloproteinase-14(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of APMA-activated recombinant human GST-tagged MMP-14 using Cy3-PLGLK(Cy5Q)AR-NH2 peptide as substrate measured after 40 mins by spectrofl...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of TACE (unknown origin) using Cy3-PLAQAV(Cy5Q-L-2,3-diaminopropionic acid)-RSSSR-NH2 peptide as substrate measured after 40 mins by spect...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Target72 kDa type IV collagenase(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50025159(CHEMBL3337869)
Affinity DataIC50:  300nMAssay Description:Inhibition of human recombinant MMP2 using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed