BDBM27878 13-(carbamoylmethyl)-3-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-triene-5-carboxamide::MMP Inhibitor, 7::hexahydrobenzothienopyrimidine, 2

SMILES c1cc2c(cc1CNC(=O)C3=Nc4c(c5c(s4)CCC[C@H]5CC(=O)N)C(=O)N3)NC(=O)CO2

InChI Key InChIKey=ITADELAVAWJACR-UHFFFAOYSA-N

Data  25 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 25 hits for monomerid = 27878   

TargetInterstitial collagenase(Human)
French Alternative Energies and Atomic Energy Commission

LigandPNGBDBM27878(MMP Inhibitor, 7 | 13-(carbamoylmethyl)-3-oxo-N-[(...)
Affinity DataIC50: 1.00E+4nMpH: 6.8 T: 2°CAssay Description:Enzyme assay using human matrix metalloproteases or ADAMTS.More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/5/2012
Entry Details Article
PubMed
TargetMatrilysin(Human)
Universidad Ceu San Pablo

Curated by ChEMBL
LigandPNGBDBM27878(MMP Inhibitor, 7 | 13-(carbamoylmethyl)-3-oxo-N-[(...)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of MMP7 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/9/2016
Entry Details Article
PubMed
TargetInterstitial collagenase(Human)
French Alternative Energies and Atomic Energy Commission

LigandPNGBDBM27878(MMP Inhibitor, 7 | 13-(carbamoylmethyl)-3-oxo-N-[(...)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of MMP1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/9/2016
Entry Details Article
PubMed
TargetMatrix metalloproteinase-14(Human)
Universidad Ceu San Pablo

Curated by ChEMBL
LigandPNGBDBM27878(MMP Inhibitor, 7 | 13-(carbamoylmethyl)-3-oxo-N-[(...)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of MMP14 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/9/2016
Entry Details Article
PubMed
TargetMacrophage metalloelastase(Human)
Universidad Ceu San Pablo

Curated by ChEMBL
LigandPNGBDBM27878(MMP Inhibitor, 7 | 13-(carbamoylmethyl)-3-oxo-N-[(...)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of MMP12 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/9/2016
Entry Details Article
PubMed
TargetMatrix metalloproteinase-9(Human)
Universidad Ceu San Pablo

Curated by ChEMBL
LigandPNGBDBM27878(MMP Inhibitor, 7 | 13-(carbamoylmethyl)-3-oxo-N-[(...)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of MMP9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/9/2016
Entry Details Article
PubMed
Target72 kDa type IV collagenase(Human)
Universidad Ceu San Pablo

Curated by ChEMBL
LigandPNGBDBM27878(MMP Inhibitor, 7 | 13-(carbamoylmethyl)-3-oxo-N-[(...)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of MMP2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/9/2016
Entry Details Article
PubMed
TargetStromelysin-1(Human)
Universidad Ceu San Pablo

Curated by ChEMBL
LigandPNGBDBM27878(MMP Inhibitor, 7 | 13-(carbamoylmethyl)-3-oxo-N-[(...)
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of MMP3 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/9/2016
Entry Details Article
PubMed
TargetMatrix metalloproteinase-14(Human)
Universidad Ceu San Pablo

Curated by ChEMBL
LigandPNGBDBM27878(MMP Inhibitor, 7 | 13-(carbamoylmethyl)-3-oxo-N-[(...)
Affinity DataIC50: 1.00E+4nMpH: 6.8 T: 2°CAssay Description:Enzyme assay using human matrix metalloproteases or ADAMTS.More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/5/2012
Entry Details Article
PubMed
TargetMacrophage metalloelastase(Human)
Universidad Ceu San Pablo

Curated by ChEMBL
LigandPNGBDBM27878(MMP Inhibitor, 7 | 13-(carbamoylmethyl)-3-oxo-N-[(...)
Affinity DataIC50: 1.00E+4nMpH: 6.8 T: 2°CAssay Description:Enzyme assay using human matrix metalloproteases or ADAMTS.More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/5/2012
Entry Details Article
PubMed
TargetMatrix metalloproteinase-9(Human)
Universidad Ceu San Pablo

Curated by ChEMBL
LigandPNGBDBM27878(MMP Inhibitor, 7 | 13-(carbamoylmethyl)-3-oxo-N-[(...)
Affinity DataIC50: 1.00E+4nMpH: 6.8 T: 2°CAssay Description:Enzyme assay using human matrix metalloproteases or ADAMTS.More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/5/2012
Entry Details Article
PubMed
TargetMatrilysin(Human)
Universidad Ceu San Pablo

Curated by ChEMBL
LigandPNGBDBM27878(MMP Inhibitor, 7 | 13-(carbamoylmethyl)-3-oxo-N-[(...)
Affinity DataIC50: 1.00E+4nMpH: 6.8 T: 2°CAssay Description:Enzyme assay using human matrix metalloproteases or ADAMTS.More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/5/2012
Entry Details Article
PubMed
Target72 kDa type IV collagenase(Human)
Universidad Ceu San Pablo

Curated by ChEMBL
LigandPNGBDBM27878(MMP Inhibitor, 7 | 13-(carbamoylmethyl)-3-oxo-N-[(...)
Affinity DataIC50: 1.00E+4nMpH: 6.8 T: 2°CAssay Description:Enzyme assay using human matrix metalloproteases or ADAMTS.More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/5/2012
Entry Details Article
PubMed
TargetInterstitial collagenase(Human)
French Alternative Energies and Atomic Energy Commission

LigandPNGBDBM27878(MMP Inhibitor, 7 | 13-(carbamoylmethyl)-3-oxo-N-[(...)
Affinity DataIC50: 1.00E+4nMpH: 7.5 T: 2°CAssay Description:Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/6/2009
Entry Details Article
PubMed
TargetStromelysin-1(Human)
Universidad Ceu San Pablo

Curated by ChEMBL
LigandPNGBDBM27878(MMP Inhibitor, 7 | 13-(carbamoylmethyl)-3-oxo-N-[(...)
Affinity DataIC50: 2.50E+3nMpH: 6.8 T: 2°CAssay Description:Enzyme assay using human matrix metalloproteases or ADAMTS.More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/5/2012
Entry Details Article
PubMed
TargetCollagenase 3(Human)
French Alternative Energies and Atomic Energy Commission

LigandPNGBDBM27878(MMP Inhibitor, 7 | 13-(carbamoylmethyl)-3-oxo-N-[(...)
Affinity DataIC50: 25nMpH: 6.8 T: 2°CAssay Description:Enzyme assay using human matrix metalloproteases or ADAMTS.More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/5/2012
Entry Details Article
PubMed
TargetNeutrophil collagenase(Human)
French Alternative Energies and Atomic Energy Commission

LigandPNGBDBM27878(MMP Inhibitor, 7 | 13-(carbamoylmethyl)-3-oxo-N-[(...)
Affinity DataIC50: 7.40nMpH: 6.8 T: 2°CAssay Description:Enzyme assay using human matrix metalloproteases or ADAMTS.More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/5/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetMatrix metalloproteinase-14(Human)
Universidad Ceu San Pablo

Curated by ChEMBL
LigandPNGBDBM27878(MMP Inhibitor, 7 | 13-(carbamoylmethyl)-3-oxo-N-[(...)
Affinity DataIC50: 1.00E+4nMpH: 7.5 T: 2°CAssay Description:Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/6/2009
Entry Details Article
PubMed
TargetCollagenase 3(Human)
French Alternative Energies and Atomic Energy Commission

LigandPNGBDBM27878(MMP Inhibitor, 7 | 13-(carbamoylmethyl)-3-oxo-N-[(...)
Affinity DataIC50: 25nMpH: 7.5 T: 2°CAssay Description:Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/6/2009
Entry Details Article
PubMed
TargetMacrophage metalloelastase(Human)
Universidad Ceu San Pablo

Curated by ChEMBL
LigandPNGBDBM27878(MMP Inhibitor, 7 | 13-(carbamoylmethyl)-3-oxo-N-[(...)
Affinity DataIC50: 1.00E+4nMpH: 7.5 T: 2°CAssay Description:Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/6/2009
Entry Details Article
PubMed
TargetMatrix metalloproteinase-9(Human)
Universidad Ceu San Pablo

Curated by ChEMBL
LigandPNGBDBM27878(MMP Inhibitor, 7 | 13-(carbamoylmethyl)-3-oxo-N-[(...)
Affinity DataIC50: 1.00E+4nMpH: 7.5 T: 2°CAssay Description:Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/6/2009
Entry Details Article
PubMed
TargetNeutrophil collagenase(Human)
French Alternative Energies and Atomic Energy Commission

LigandPNGBDBM27878(MMP Inhibitor, 7 | 13-(carbamoylmethyl)-3-oxo-N-[(...)
Affinity DataIC50: 7.40nMpH: 7.5 T: 2°CAssay Description:Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/6/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetMatrilysin(Human)
Universidad Ceu San Pablo

Curated by ChEMBL
LigandPNGBDBM27878(MMP Inhibitor, 7 | 13-(carbamoylmethyl)-3-oxo-N-[(...)
Affinity DataIC50: 1.00E+4nMpH: 7.5 T: 2°CAssay Description:Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/6/2009
Entry Details Article
PubMed
TargetStromelysin-1(Human)
Universidad Ceu San Pablo

Curated by ChEMBL
LigandPNGBDBM27878(MMP Inhibitor, 7 | 13-(carbamoylmethyl)-3-oxo-N-[(...)
Affinity DataIC50: 2.50E+3nMpH: 6.0 T: 2°CAssay Description:Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/6/2009
Entry Details Article
PubMed
Target72 kDa type IV collagenase(Human)
Universidad Ceu San Pablo

Curated by ChEMBL
LigandPNGBDBM27878(MMP Inhibitor, 7 | 13-(carbamoylmethyl)-3-oxo-N-[(...)
Affinity DataIC50: 1.00E+4nMpH: 7.5 T: 2°CAssay Description:Inhibition of the matrix metalloproteinases MMPs has been determined by continuously monitoring the hydrolysis of the fluorescent substrate. The hydr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/6/2009
Entry Details Article
PubMed