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SMILES COc1ccc(cc1)-c1ccc(Sc2ccccc2C(CCC(O)=O)C(O)=O)cc1

InChI Key InChIKey=KSEPBMMZVPGILK-UHFFFAOYSA-N

PDB links: 2 PDB IDs match 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 3 hits for monomerid = 50455845   

TargetMatrix metalloproteinase-9(Homo sapiens (Human))
Universit£ di Pisa

Curated by ChEMBL
LigandPNGBDBM50455845(CHEMBL4209100)copy SMILEScopy InChI
Affinity DataIC50: 2.96E+3nMAssay Description:Inhibition of recombinant human MMP-9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ad...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetMacrophage metalloelastase(Homo sapiens (Human))
Universit£ di Pisa

Curated by ChEMBL
LigandPNGBDBM50455845(CHEMBL4209100)copy SMILEScopy InChI
Affinity DataIC50: 26nMAssay Description:Inhibition of recombinant human MMP-12 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
Target72 kDa type IV collagenase(Homo sapiens (Human))
Universit£ di Pisa

Curated by ChEMBL
LigandPNGBDBM50455845(CHEMBL4209100)copy SMILEScopy InChI
Affinity DataIC50: 660nMAssay Description:Inhibition of recombinant human MMP-2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ad...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26H4M12PubMed