BDBM50200311 (S)-1-(4-(2-bromoethoxy)benzyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL216447

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

InChI Key InChIKey=CXJCEKSGEFHWMX-KRWDZBQOSA-N

Data  1 KI  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50200311   

TargetCaspase-3(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50200311((S)-1-(4-(2-bromoethoxy)benzyl)-5-[1-(2-methoxymet...)
Affinity DataKi:  8nMAssay Description:Binding affinity to human caspase 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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

Curated by ChEMBL
LigandPNGBDBM50200311((S)-1-(4-(2-bromoethoxy)benzyl)-5-[1-(2-methoxymet...)
Affinity DataIC50: >5.00E+5nMAssay Description:Inhibition of caspase 8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

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

Curated by ChEMBL
LigandPNGBDBM50200311((S)-1-(4-(2-bromoethoxy)benzyl)-5-[1-(2-methoxymet...)
Affinity DataIC50:  25.7nMAssay Description:Inhibition of caspase 7More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCaspase-3(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50200311((S)-1-(4-(2-bromoethoxy)benzyl)-5-[1-(2-methoxymet...)
Affinity DataIC50:  16.3nMAssay Description:Inhibition of caspase 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCaspase-1(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50200311((S)-1-(4-(2-bromoethoxy)benzyl)-5-[1-(2-methoxymet...)
Affinity DataIC50: >1.50E+4nMAssay Description:Inhibition of caspase 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCaspase-6(Human)
University Hospital of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50200311((S)-1-(4-(2-bromoethoxy)benzyl)-5-[1-(2-methoxymet...)
Affinity DataIC50: >5.00E+5nMAssay Description:Inhibition of caspase 6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed