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Target
Caspase-1
Ligand
BDBM50325238
Substrate
n/a
Meas. Tech.
ChEMBL_651931 (CHEMBL1227461)
Ki
2±n/a nM
Citation
 Galatsis, P; Caprathe, B; Downing, D; Gilmore, J; Harter, W; Hays, S; Kostlan, C; Linn, K; Lunney, E; Para, K; Thomas, A; Warmus, J; Allen, H; Brady, K; Talanian, R; Walker, N Inhibition of interleukin-1beta converting enzyme (ICE or caspase 1) by aspartyl acyloxyalkyl ketones and aspartyl amidooxyalkyl ketones. Bioorg Med Chem Lett 20:5089-94 (2010) [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:
BDBM50325238
Synonyms:
(5S,8S,11S)-11-(2-(2-benzyl-3-phenylpropanoyloxy)acetyl)-5-isopropyl-8-methyl-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazatridecan-13-oic acid | CHEMBL1223111
Type:
Small organic molecule
Emp. Form.:
C37H43N3O9
Mol. Mass.:
673.752
SMILES:
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)C(Cc1ccccc1)Cc1ccccc1 |r|
Structure:
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