BDBM50302109 CHEMBL568553::Grassystatin B

SMILES CC[C@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC

InChI Key InChIKey=ICOVQVRWYNMTQP-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 50302109   

TargetCathepsin E(Human)
University of Florida

Curated by ChEMBL
LigandPNGBDBM50302109(Grassystatin B | CHEMBL568553)
Affinity DataIC50: 0.354nMAssay Description:Inhibition of cathepsin EMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2012
Entry Details Article
PubMed
TargetDisintegrin and metalloproteinase domain-containing protein 9(Human)
University of Florida

Curated by ChEMBL
LigandPNGBDBM50302109(Grassystatin B | CHEMBL568553)
Affinity DataIC50: 8.55E+4nMAssay Description:Inhibition of ADAM9 after 10 to 15 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2012
Entry Details Article
PubMed
LigandPNGBDBM50302109(Grassystatin B | CHEMBL568553)
Affinity DataIC50: 8.72E+4nMAssay Description:Inhibition of ADAM10 after 10 to 15 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2012
Entry Details Article
PubMed
LigandPNGBDBM50302109(Grassystatin B | CHEMBL568553)
Affinity DataIC50: 2.23E+3nMAssay Description:Inhibition of TACE after 10 to 15 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2012
Entry Details Article
PubMed
TargetCathepsin E(Human)
University of Florida

Curated by ChEMBL
LigandPNGBDBM50302109(Grassystatin B | CHEMBL568553)
Affinity DataIC50: 0.400nMAssay Description:Inhibition of recombinant human C-terminal His10-tagged cathepsin E (Gln18 to Pro396 residues) using Mca-Gly-Lys-Pro-Ile-Leu-PhePhe-Arg-Leu-Lys-(Dnp)...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/7/2020
Entry Details Article
PubMed
TargetCathepsin D(Human)
University of Florida

Curated by ChEMBL
LigandPNGBDBM50302109(Grassystatin B | CHEMBL568553)
Affinity DataIC50: 7.30nMAssay Description:Inhibition of human liver cathepsin D using Mca-Gly-Lys-Pro-Ile-Leu-PhePhe-Arg-Leu-Lys-(Dnp)-D-Arg-NH2 as substrate pretreated for 15 mins followed b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/7/2020
Entry Details Article
PubMed