BDBM50257355 (S)-1-(4-Fluorobutyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL494140

SMILES COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCCF)C(=O)C(=O)c2c1

InChI Key InChIKey=PIQHWGFQAFGKBN-ZDUSSCGKSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50257355   

TargetCaspase-3(Homo sapiens (Human))
Westf£Lische Wilhelms-Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM50257355((S)-1-(4-Fluorobutyl)-5-[1-(2-methoxymethylpyrroli...)
Affinity DataIC50:  41nMAssay Description:Inhibition of human recombinant caspase 3 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic productMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-7(Homo sapiens (Human))
WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50257355((S)-1-(4-Fluorobutyl)-5-[1-(2-methoxymethylpyrroli...)
Affinity DataIC50:  28nMAssay Description:Inhibition of human recombinant caspase 7More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Homo sapiens (Human))
Westf£Lische Wilhelms-Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM50257355((S)-1-(4-Fluorobutyl)-5-[1-(2-methoxymethylpyrroli...)
Affinity DataIC50:  41nMAssay Description:Inhibition of human recombinant caspase 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-7(Homo sapiens (Human))
WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50257355((S)-1-(4-Fluorobutyl)-5-[1-(2-methoxymethylpyrroli...)
Affinity DataIC50:  28nMAssay Description:Inhibition of human recombinant caspase 7 using Ac-DEVD-AMC substrate assessed as accumulation of cleaved fluorogenic productMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed