BDBM50071543 (S)-3-(2-Acetylamino-3-methyl-butyrylamino)-4-oxo-5-[2-(2,3,6-trichloro-phenyl)-acetoxy]-pentanoic acid::CHEMBL74137

SMILES CC(C)C(NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)Cc1c(Cl)ccc(Cl)c1Cl

InChI Key InChIKey=YGBPNTMPNPGUMG-KTQQKIMGSA-N

Data  1 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50071543   

TargetCaspase-1(Homo sapiens (Human))
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50071543((S)-3-(2-Acetylamino-3-methyl-butyrylamino)-4-oxo-...)
Affinity DataKi:  113nMAssay Description:Compound was tested for inhibitory activity against N-His (D381E) Interleukin -1 beta converting enzyme (resynthesized compound)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50071543((S)-3-(2-Acetylamino-3-methyl-butyrylamino)-4-oxo-...)
Affinity DataIC50:  5nMAssay Description:Compound was tested for inhibitory activity against N-His (D381E) Interleukin -1 beta converting enzyme (combinatorially prepared compound)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50071543((S)-3-(2-Acetylamino-3-methyl-butyrylamino)-4-oxo-...)
Affinity DataIC50:  7nMAssay Description:Compound was tested for inhibitory activity against N-His (D381E) Interleukin -1 beta converting enzyme (resynthesized compound)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed