BDBM50192784 (S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-(phenoxymethyl)pyrrolidin-1-ylsulfonyl)indoline-2,3-dione::(S)-1-(4-(2-fluoroethoxy)benzyl)-5-[1-(2-phenoxymethylpyrrolidinyl)sulfonyl]isatin::1-[4-(2-fluoroethoxy)-benzyl]-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione::CHEMBL213759

SMILES FCCOc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1

InChI Key InChIKey=JVKBLHAUEXSZHN-NRFANRHFSA-N

Data  1 KI  16 IC50  1 EC50

  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 18 hits for monomerid = 50192784   

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

Curated by ChEMBL
LigandPNGBDBM50192784((S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-(phenoxymeth...)
Affinity DataKi:  0.200nMAssay Description:Binding affinity to human caspase 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Homo sapiens (Human))
University Hospital Of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50192784((S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-(phenoxymeth...)
Affinity DataIC50:  9.77nMAssay Description:Inhibition of caspase3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-7(Homo sapiens (Human))
Washington University

Curated by ChEMBL
LigandPNGBDBM50192784((S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-(phenoxymeth...)
Affinity DataIC50:  23.5nMAssay Description:Inhibition of human recombinant caspase 7More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-8(Homo sapiens (Human))
Washington University

Curated by ChEMBL
LigandPNGBDBM50192784((S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-(phenoxymeth...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human recombinant caspase 8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Washington University

Curated by ChEMBL
LigandPNGBDBM50192784((S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-(phenoxymeth...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human recombinant caspase 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-8(Homo sapiens (Human))
Washington University

Curated by ChEMBL
LigandPNGBDBM50192784((S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-(phenoxymeth...)
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
LigandPNGBDBM50192784((S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-(phenoxymeth...)
Affinity DataIC50:  0.300nMAssay Description:Inhibition of caspase 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Washington University

Curated by ChEMBL
LigandPNGBDBM50192784((S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-(phenoxymeth...)
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
LigandPNGBDBM50192784((S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-(phenoxymeth...)
Affinity DataIC50: >5.00E+5nMAssay Description:Inhibition of caspase 6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-7(Homo sapiens (Human))
Washington University

Curated by ChEMBL
LigandPNGBDBM50192784((S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-(phenoxymeth...)
Affinity DataIC50:  22.4nMAssay Description:Inhibition of caspase 7More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Washington University

Curated by ChEMBL
LigandPNGBDBM50192784((S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-(phenoxymeth...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human recombinant 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
LigandPNGBDBM50192784((S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-(phenoxymeth...)
Affinity DataIC50:  3.70E+3nMAssay Description:Inhibition of human recombinant caspase 6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-8(Homo sapiens (Human))
Washington University

Curated by ChEMBL
LigandPNGBDBM50192784((S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-(phenoxymeth...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human recombinant 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
LigandPNGBDBM50192784((S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-(phenoxymeth...)
Affinity DataIC50:  9.70nMAssay Description:Inhibition of human recombinant caspase 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-7(Homo sapiens (Human))
Washington University

Curated by ChEMBL
LigandPNGBDBM50192784((S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-(phenoxymeth...)
Affinity DataIC50:  23.5nMAssay Description:Inhibition of human recombinant caspase 7More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Homo sapiens (Human))
University Hospital Of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50192784((S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-(phenoxymeth...)
Affinity DataEC50:  4.50E+3nMAssay Description:Inhibition of staurosporine induced activation of caspase 3 activation in human Hela cells assessed as hydrolysis of Z-DEVD-R110 substrate by micropl...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-6(Homo sapiens (Human))
University Hospital Of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50192784((S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-(phenoxymeth...)
Affinity DataIC50:  3.70E+3nMAssay Description:Inhibition of human recombinant caspase 6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Homo sapiens (Human))
University Hospital Of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50192784((S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-(phenoxymeth...)
Affinity DataIC50:  9.70nMAssay Description:Inhibition of human recombinant caspase 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed