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Target
Caspase-1
Ligand
BDBM50071543
Substrate
n/a
Meas. Tech.
ChEMBL_141122 (CHEMBL745317)
Ki
113±n/a nM
Citation
 Warmus, JS; Ryder, TR; Hodges, JC; Kennedy, RM; Brady, KD Rapid optimization of an ICE inhibitor synthesis using multiple reaction conditions in a parallel array. Bioorg Med Chem Lett 8:2309-14 (1999) [PubMed]  Article 
Target
Name:
Caspase-1
Synonyms:
CASP1 | CASP1_HUMAN | Caspase | Caspase 1 | ICE | IL1BC | IL1BCE | Interleukin-1 beta convertase | Interleukin-1 beta-converting enzyme
Type:
Enzyme
Mol. Mass.:
45154.13
Organism:
Homo sapiens (Human)
Description:
P29466
Residue:
404
Sequence:
MADKVLKEKRKLFIRSMGEGTINGLLDELLQTRVLNKEEMEKVKRENATVMDKTRALIDSVIPKGAQACQICITYICEEDSYLAGTLGLSADQTSGNYLNMQDSQGVLSSFPAPQAVQDNPAMPTSSGSEGNVKLCSLEEAQRIWKQKSAEIYPIMDKSSRTRLALIICNEEFDSIPRRTGAEVDITGMTMLLQNLGYSVDVKKNLTASDMTTELEAFAHRPEHKTSDSTFLVFMSHGIREGICGKKHSEQVPDILQLNAIFNMLNTKNCPSLKDKPKVIIIQACRGDSPGVVWFKDSVGVSGNLSLPTTEEFEDDAIKKAHIEKDFIAFCSSTPDNVSWRHPTMGSVFIGRLIEHMQEYACSCDVEEIFRKVRFSFEQPDGRAQMPTTERVTLTRCFYLFPGH
  
Inhibitor
Name:
BDBM50071543
Synonyms:
(S)-3-(2-Acetylamino-3-methyl-butyrylamino)-4-oxo-5-[2-(2,3,6-trichloro-phenyl)-acetoxy]-pentanoic acid | CHEMBL74137
Type:
Small organic molecule
Emp. Form.:
C20H23Cl3N2O7
Mol. Mass.:
509.765
SMILES:
CC(C)C(NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)Cc1c(Cl)ccc(Cl)c1Cl
Structure:
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