BDBM50239954 CHEMBL4080520

SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(C)C

InChI Key InChIKey=NWCGLZSPRJCLHZ-UHFFFAOYSA-N

Data  1 KI  17 IC50

  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 18 hits for monomerid = 50239954   

TargetInterstitial collagenase(Human)
Scripps Florida

Curated by ChEMBL
LigandPNGBDBM50239954(CHEMBL4080520)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of recombinant human MMP1 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/27/2019
Entry Details Article
PubMed
Target72 kDa type IV collagenase(Human)
Graz University of Technology

Curated by ChEMBL
LigandPNGBDBM50239954(CHEMBL4080520)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of recombinant human MMP2 using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCollagenase 3(Human)
Graz University of Technology

Curated by ChEMBL
LigandPNGBDBM50239954(CHEMBL4080520)
Affinity DataIC50: 2.70nMAssay Description:Inhibition of recombinant human full length MMP13 expressed in mouse NS0 cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetInterstitial collagenase(Human)
Scripps Florida

Curated by ChEMBL
LigandPNGBDBM50239954(CHEMBL4080520)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of recombinant human MMP1 expressed in mouse NS0 cells using Knight substrate preincubated for 30 mins followed by substrate addition by f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetMacrophage metalloelastase(Human)
Graz University of Technology

Curated by ChEMBL
LigandPNGBDBM50239954(CHEMBL4080520)
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of MMP12 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetStromelysin-1(Human)
Graz University of Technology

Curated by ChEMBL
LigandPNGBDBM50239954(CHEMBL4080520)
Affinity DataIC50: 4.40E+3nMAssay Description:Inhibition of MMP3 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetMatrix metalloproteinase-9(Human)
Graz University of Technology

Curated by ChEMBL
LigandPNGBDBM50239954(CHEMBL4080520)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of recombinant human MMP9 using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetNeutrophil collagenase(Human)
Graz University of Technology

Curated by ChEMBL
LigandPNGBDBM50239954(CHEMBL4080520)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of recombinant human MMP8 expressed in mouse NS0 cells using Knight substrate preincubated for 30 mins followed by substrate addition by f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetMatrix metalloproteinase-14(Human)
Graz University of Technology

Curated by ChEMBL
LigandPNGBDBM50239954(CHEMBL4080520)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of recombinant human MMP14 expressed in Escherichia coli using fTHP-15 as substrate preincubated for 30 mins followed by substrate additio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetMatrix metalloproteinase-14(Human)
Graz University of Technology

Curated by ChEMBL
LigandPNGBDBM50239954(CHEMBL4080520)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of recombinant human MMP14 using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/27/2019
Entry Details Article
PubMed
TargetMatrix metalloproteinase-9(Human)
Graz University of Technology

Curated by ChEMBL
LigandPNGBDBM50239954(CHEMBL4080520)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of MMP9 (unknown origin) using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluore...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/27/2019
Entry Details Article
PubMed
TargetNeutrophil collagenase(Human)
Graz University of Technology

Curated by ChEMBL
LigandPNGBDBM50239954(CHEMBL4080520)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of MMP8 (unknown origin) using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition measured immediately by fluore...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/27/2019
Entry Details Article
PubMed
Target72 kDa type IV collagenase(Human)
Graz University of Technology

Curated by ChEMBL
LigandPNGBDBM50239954(CHEMBL4080520)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of recombinant human MMP2 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/27/2019
Entry Details Article
PubMed
TargetCollagenase 3(Human)
Graz University of Technology

Curated by ChEMBL
LigandPNGBDBM50239954(CHEMBL4080520)
Affinity DataIC50: 2.70nMAssay Description:Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using fTHP-15 as substrate preincubated for 30 mins followed by substr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/27/2019
Entry Details Article
PubMed
TargetMacrophage metalloelastase(Human)
Graz University of Technology

Curated by ChEMBL
LigandPNGBDBM50239954(CHEMBL4080520)
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of recombinant human MMP12 expressed in baculovirus expression system using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrate by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/27/2019
Entry Details Article
PubMed
TargetStromelysin-1(Human)
Graz University of Technology

Curated by ChEMBL
LigandPNGBDBM50239954(CHEMBL4080520)
Affinity DataIC50: 4.40E+3nMAssay Description:Inhibition of recombinant human MMP3 expressed in baculovirus expression system using Mca-Pro-LeuGly-Leu-Dpa-Ala-Arg-NH2 as substrate by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/27/2019
Entry Details Article
PubMed
TargetCollagenase 3(Human)
Graz University of Technology

Curated by ChEMBL
LigandPNGBDBM50239954(CHEMBL4080520)
Affinity DataIC50: 8.10nMAssay Description:Inhibition of MMP13 (unknown origin)-mediated type-2 collagen cleavage assessed as increase in intact collagen after 24 hrs by SDS-PAGE analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/27/2019
Entry Details Article
PubMed
TargetCollagenase 3(Human)
Graz University of Technology

Curated by ChEMBL
LigandPNGBDBM50239954(CHEMBL4080520)
Affinity DataKi:  1.70nMAssay Description:Inhibition of full length recombinant human MMP13 expressed in mouse NSO cells using varying levels of fTHP-15 as substrate preincubated for 30 mins ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/27/2019
Entry Details Article
PubMed