BDBM10355 (3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]propanamido]-4-oxobutanoic acid::Ac-YVAD-CHO::CHEMBL37630

SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O

InChI Key InChIKey=LPIARALSGDVZEP-SJVNDZIOSA-N

Data  4 KI  8 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 12 hits for monomerid = 10355   

TargetCaspase-1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM10355((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Affinity DataKi:  0.700nMAssay Description:Inhibition of human ICEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM10355((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Affinity DataKi:  0.760nMAssay Description:The compound was tested for inhibition of IL-1 beta converting enzyme in whole human blood.More data for this Ligand-Target Pair
In DepthDetails Article
TargetCaspase-1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM10355((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Affinity DataKi:  6nMAssay Description:Binding affinity towards IL-1 beta converting enzyme (ICE)More data for this Ligand-Target Pair
In DepthDetails Article
TargetCaspase-1(Mus musculus)
Pfizer

Curated by ChEMBL
LigandPNGBDBM10355((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Affinity DataKi:  9nMAssay Description:Inhibition of mouse ICEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInterleukin-1 beta(Homo sapiens (Human))
The University Of Montana

Curated by ChEMBL
LigandPNGBDBM10355((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Affinity DataIC50:  2.00E+3nMAssay Description:Induction of IL-1 beta production in LPS-induced human THP-1 cells by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM10355((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Affinity DataIC50:  6.80E+4nMAssay Description:Amidolytic activity of THP.1 cell lysate against IL-1 beta converting enzyme using C1-Asp-AMC as a substrateChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM10355((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Affinity DataIC50:  2.00E+3nMAssay Description:Ability to inhibit IL-1 beta converting enzyme was evaluated in LPS-stimulated human whole bloodChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM10355((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Affinity DataIC50:  8.40nMAssay Description:Inhibition of caspase 1 by fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-3(Homo sapiens (Human))
Institute For Drug Research

Curated by ChEMBL
LigandPNGBDBM10355((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Affinity DataIC50:  1.90E+5nMAssay Description:Amidolytic activity of THP.1 cell lysate against Caspase-3 using C3-Asp-AMC as a substrateChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM10355((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Affinity DataIC50:  8.40nMpH: 7.4 T: 2°CAssay Description:The caspase enzymatic activity was determined by measuring the accumulation of a fluorogenic product. All assays were prepared in 96-well format. Rec...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM10355((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Affinity DataIC50:  8.10nMAssay Description:The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM10355((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)
Affinity DataIC50:  17nMAssay Description:Inhibition of human ICEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed