BDBM50200312 (S)-1-(4-(2-(4-methylphenylsulfonyloxy)ethoxy)benzyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL216071

SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(Cc3ccc(OCCOS(=O)(=O)c4ccc(C)cc4)cc3)C(=O)C(=O)c2c1

InChI Key InChIKey=VXDALODUEXZZKU-UHFFFAOYSA-N

Data  1 KI  5 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 = 50200312   

TargetCaspase-7(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50200312((S)-1-(4-(2-(4-methylphenylsulfonyloxy)ethoxy)benz...)
Affinity DataIC50: 13.8nMAssay Description:Inhibition of caspase 7More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-6(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50200312((S)-1-(4-(2-(4-methylphenylsulfonyloxy)ethoxy)benz...)
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of caspase 6More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50200312((S)-1-(4-(2-(4-methylphenylsulfonyloxy)ethoxy)benz...)
Affinity DataIC50: 1.70nMAssay Description:Inhibition of caspase 3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-1(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50200312((S)-1-(4-(2-(4-methylphenylsulfonyloxy)ethoxy)benz...)
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of caspase 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-8(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50200312((S)-1-(4-(2-(4-methylphenylsulfonyloxy)ethoxy)benz...)
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of caspase 8More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCaspase-3(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50200312((S)-1-(4-(2-(4-methylphenylsulfonyloxy)ethoxy)benz...)
Affinity DataKi:  0.800nMAssay Description:Binding affinity to human caspase 3More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed