BDBM50273338 (S)-1-((1-(2-Fluoroethyl)-1H-[1,2,3]-triazol-4-yl)methyl)-5-(2(2,4-difluorophenoxymethyl)-pyrrolidine-1-sulfonyl)isatin::CHEMBL456799

SMILES FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccc(F)cc2F)nn1

InChI Key InChIKey=XBILASWQSBQTIV-KRWDZBQOSA-N

Data  6 IC50  6 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 12 hits for monomerid = 50273338   

TargetCaspase-3(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50273338((S)-1-((1-(2-Fluoroethyl)-1H-[1,2,3]-triazol-4-yl)...)
Affinity DataEC50:  0.5nMAssay Description:Inhibition of human recombinant caspase 3 assessed as accumulation of 7-amino-4-methylcoumarin substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-7(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50273338((S)-1-((1-(2-Fluoroethyl)-1H-[1,2,3]-triazol-4-yl)...)
Affinity DataEC50:  2.20nMAssay Description:Inhibition of human recombinant caspase 7 assessed as accumulation of 7-amino-4-methylcoumarin substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50273338((S)-1-((1-(2-Fluoroethyl)-1H-[1,2,3]-triazol-4-yl)...)
Affinity DataEC50: >5.00E+3nMAssay Description:Inhibition of human recombinant caspase 1 assessed as accumulation of 7-amino-4-methylcoumarin substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-8(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50273338((S)-1-((1-(2-Fluoroethyl)-1H-[1,2,3]-triazol-4-yl)...)
Affinity DataEC50: >5.00E+3nMAssay Description:Inhibition of human recombinant caspase 8 assessed as accumulation of 7-amino-4-methylcoumarin substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-6(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50273338((S)-1-((1-(2-Fluoroethyl)-1H-[1,2,3]-triazol-4-yl)...)
Affinity DataEC50: >5.00E+3nMAssay Description:Inhibition of human recombinant caspase 6 assessed as accumulation of 7-amino-4-methylcoumarin substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50273338((S)-1-((1-(2-Fluoroethyl)-1H-[1,2,3]-triazol-4-yl)...)
Affinity DataIC50:  0.5nMAssay Description:Inhibition of caspase 3 using Ac-DEVD-AFC fluorogenic substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50273338((S)-1-((1-(2-Fluoroethyl)-1H-[1,2,3]-triazol-4-yl)...)
Affinity DataIC50:  10.8nMAssay Description:Inhibition of human caspase 3 by fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-6(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50273338((S)-1-((1-(2-Fluoroethyl)-1H-[1,2,3]-triazol-4-yl)...)
Affinity DataIC50:  4.43E+3nMAssay Description:Inhibition of caspase 6 by fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-7(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50273338((S)-1-((1-(2-Fluoroethyl)-1H-[1,2,3]-triazol-4-yl)...)
Affinity DataIC50:  11.6nMAssay Description:Inhibition of caspase 7 by fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-8(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50273338((S)-1-((1-(2-Fluoroethyl)-1H-[1,2,3]-triazol-4-yl)...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of caspase 8 by fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50273338((S)-1-((1-(2-Fluoroethyl)-1H-[1,2,3]-triazol-4-yl)...)
Affinity DataEC50:  680nMAssay 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-1(Homo sapiens (Human))
Imperial College

Curated by ChEMBL
LigandPNGBDBM50273338((S)-1-((1-(2-Fluoroethyl)-1H-[1,2,3]-triazol-4-yl)...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of caspase 1 by fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed