BDBM50200309 (S)-1-(4-(2-fluoroethoxy)benzyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin::CHEMBL215480

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

InChI Key InChIKey=CLVRDSQHWNEIQR-KRWDZBQOSA-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 = 50200309   

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

Curated by ChEMBL
LigandPNGBDBM50200309((S)-1-(4-(2-fluoroethoxy)benzyl)-5-[1-(2-methoxyme...)
Affinity DataKi:  17.9nMAssay Description:Binding affinity to human caspase 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-8(Homo sapiens (Human))
University Hospital Of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50200309((S)-1-(4-(2-fluoroethoxy)benzyl)-5-[1-(2-methoxyme...)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of caspase 8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
University Hospital Of The WestfäLische Wilhelms-UniversitäT

Curated by ChEMBL
LigandPNGBDBM50200309((S)-1-(4-(2-fluoroethoxy)benzyl)-5-[1-(2-methoxyme...)
Affinity DataIC50: >2.50E+4nMAssay 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
LigandPNGBDBM50200309((S)-1-(4-(2-fluoroethoxy)benzyl)-5-[1-(2-methoxyme...)
Affinity DataIC50: >2.50E+4nMAssay 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
LigandPNGBDBM50200309((S)-1-(4-(2-fluoroethoxy)benzyl)-5-[1-(2-methoxyme...)
Affinity DataIC50:  93.3nMAssay Description:Inhibition of 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
LigandPNGBDBM50200309((S)-1-(4-(2-fluoroethoxy)benzyl)-5-[1-(2-methoxyme...)
Affinity DataIC50:  36.4nMAssay Description:Inhibition of caspase 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed