BDBM50200315 (S)-1-(4-(2-bromoethoxy)benzyl)-5-[1-(2-phenoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL385930

SMILES BrCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1

InChI Key InChIKey=YZZZZAGTJYSDAA-NRFANRHFSA-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 = 50200315   

TargetCaspase-3(Homo sapiens (Human))
University Hospital Of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50200315((S)-1-(4-(2-bromoethoxy)benzyl)-5-[1-(2-phenoxymet...)
Affinity DataKi:  12.6nMAssay Description:Binding affinity to human caspase 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
University Hospital Of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50200315((S)-1-(4-(2-bromoethoxy)benzyl)-5-[1-(2-phenoxymet...)
Affinity DataIC50: >5.00E+5nMAssay Description:Inhibition of caspase 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-6(Homo sapiens (Human))
University Hospital Of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50200315((S)-1-(4-(2-bromoethoxy)benzyl)-5-[1-(2-phenoxymet...)
Affinity DataIC50: >5.00E+5nMAssay Description:Inhibition of caspase 6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-7(Homo sapiens (Human))
University Hospital Of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50200315((S)-1-(4-(2-bromoethoxy)benzyl)-5-[1-(2-phenoxymet...)
Affinity DataIC50:  42nMAssay Description:Inhibition of caspase 7More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-8(Homo sapiens (Human))
University Hospital Of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50200315((S)-1-(4-(2-bromoethoxy)benzyl)-5-[1-(2-phenoxymet...)
Affinity DataIC50: >5.00E+5nMAssay Description:Inhibition of caspase 8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Homo sapiens (Human))
University Hospital Of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50200315((S)-1-(4-(2-bromoethoxy)benzyl)-5-[1-(2-phenoxymet...)
Affinity DataIC50:  25.6nMAssay Description:Inhibition of caspase 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed