BDBM50200303 (S)-1-(4-methoxybenzyl)-5-[1-(2-methoxymethylpyrrolidinyl)-sulfonyl]isatin::CHEMBL217777

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

InChI Key InChIKey=CBWLTWDVCXFXAG-INIZCTEOSA-N

Data  1 KI  5 IC50

  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 6 hits for monomerid = 50200303   

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

Curated by ChEMBL
LigandPNGBDBM50200303((S)-1-(4-methoxybenzyl)-5-[1-(2-methoxymethylpyrro...)
Affinity DataKi:  9nMAssay 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
LigandPNGBDBM50200303((S)-1-(4-methoxybenzyl)-5-[1-(2-methoxymethylpyrro...)
Affinity DataIC50:  18.4nMAssay Description:Inhibition of caspase 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-6(Homo sapiens (Human))
University Hospital Of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50200303((S)-1-(4-methoxybenzyl)-5-[1-(2-methoxymethylpyrro...)
Affinity DataIC50: >5.00E+5nMAssay Description:Inhibition of caspase 6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-8(Homo sapiens (Human))
University Hospital Of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50200303((S)-1-(4-methoxybenzyl)-5-[1-(2-methoxymethylpyrro...)
Affinity DataIC50: >5.00E+5nMAssay Description:Inhibition of caspase 8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-7(Homo sapiens (Human))
University Hospital Of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50200303((S)-1-(4-methoxybenzyl)-5-[1-(2-methoxymethylpyrro...)
Affinity DataIC50:  4nMAssay Description:Inhibition of caspase 7More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
University Hospital Of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50200303((S)-1-(4-methoxybenzyl)-5-[1-(2-methoxymethylpyrro...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of caspase 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed