BDBM50200313 (S)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]-1-(4-(tributylstannyl)benzyl)isatin::CHEMBL217822

SMILES CCCC[Sn](CCCC)(CCCC)c1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COC)cc1

InChI Key InChIKey=YZLOAXMFYBNUPB-UHFFFAOYSA-N

Data  1 KI  5 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 6 hits for monomerid = 50200313   

TargetCaspase-8(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50200313((S)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]-1-...)
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
LigandPNGBDBM50200313((S)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]-1-...)
Affinity DataIC50: 25.5nMAssay Description:Inhibition of caspase 3More 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
LigandPNGBDBM50200313((S)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]-1-...)
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-1(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50200313((S)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]-1-...)
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-7(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50200313((S)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]-1-...)
Affinity DataIC50: 29.2nMAssay Description:Inhibition of caspase 7More 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
LigandPNGBDBM50200313((S)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]-1-...)
Affinity DataKi:  12.6nMAssay 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