BDBM50258378 (S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-[9-(oxiran-2-yl)nonyl]isatin::CHEMBL521984

SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCCCCCCC3CO3)C(=O)C(=O)c2c1

InChI Key InChIKey=HERMWEDKDQDOTD-UHFFFAOYSA-N

Data  4 IC50

  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 4 hits for monomerid = 50258378   

TargetCaspase-3(Human)
Westfalische Wilhelms-Universitat

Curated by ChEMBL
LigandPNGBDBM50258378((S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-...)
Affinity DataIC50: 23nMAssay Description:Inhibition of human recombinant caspase 3 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCaspase-7(Human)
Westfalische Wilhelms-Universitat

Curated by ChEMBL
LigandPNGBDBM50258378((S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-...)
Affinity DataIC50: 61nMAssay Description:Inhibition of human recombinant caspase 7 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCaspase-6(Human)
Westfalische Wilhelms-Universitat

Curated by ChEMBL
LigandPNGBDBM50258378((S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-...)
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of human recombinant caspase 6 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCaspase-1(Human)
Westfalische Wilhelms-Universitat

Curated by ChEMBL
LigandPNGBDBM50258378((S)-5-[1-(2-Methoxymethylpyrrolidinyl)sulfonyl]-1-...)
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of human recombinant caspase 1 assessed as accumulation of cleaved fluorogenic 7-amino-4-methylcoumarin after 10 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed