BDBM27877 N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-3,11,11-trioxo-8,1-dithia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-triene-5-carboxamide::thiopyranothienopyrimidine, 1

SMILES c1cc2c(cc1CNC(=O)C3=Nc4c(c5c(s4)CS(=O)(=O)CC5)C(=O)N3)C[N@@](CC2)C6=C(C(=O)C6=O)N

InChI Key InChIKey=QHDIXGPUTSAIJX-UHFFFAOYSA-N

Data  9 IC50

PDB links: 2 PDB IDs match 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 9 hits for monomerid = 27877   

TargetInterstitial collagenase(Human)
Universita Degli Studi

LigandPNGBDBM27877(N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...)
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
Target72 kDa type IV collagenase(Human)
Universita Degli Studi

LigandPNGBDBM27877(N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...)
Affinity DataIC50: 2.50E+3nMpH: 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)
Universita Degli Studi

LigandPNGBDBM27877(N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...)
Affinity DataIC50: 100nMpH: 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
TargetMatrilysin(Human)
Universita Degli Studi

LigandPNGBDBM27877(N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...)
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)
Universita Degli Studi

LigandPNGBDBM27877(N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...)
Affinity DataIC50: 57nMpH: 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)
TargetMatrix metalloproteinase-9(Human)
Universita Degli Studi

LigandPNGBDBM27877(N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...)
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
TargetMacrophage metalloelastase(Human)
Universita Degli Studi

LigandPNGBDBM27877(N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...)
Affinity DataIC50: 5.00E+3nMpH: 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)
Universita Degli Studi

LigandPNGBDBM27877(N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...)
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
TargetMatrix metalloproteinase-14(Human)
Universita Degli Studi

LigandPNGBDBM27877(N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,...)
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