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Target
Caspase-1
Ligand
BDBM50191902
Substrate
n/a
Meas. Tech.
ChEMBL_399982 (CHEMBL910313)
IC50
130±n/a nM
Citation
 Ellis, CD; Oppong, KA; Laufersweiler, MC; O'Neil, SV; Soper, DL; Wang, Y; Wos, JA; Fancher, AN; Lu, W; Suchanek, MK; Wang, RL; De, B; Demuth, TP Synthesis and evaluation of thiazepines as interleukin-1beta converting enzyme (ICE) inhibitors. Bioorg Med Chem Lett 16:4728-32 (2006) [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:
BDBM50191902
Synonyms:
CHEMBL214073 | isoquinoline-1-carboxylic acid {(R)-4-[((S)-2-hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-methyl]-1,1,5-trioxo-1lambda*6*-[1,4]thiazepan-6-yl}-amide
Type:
Small organic molecule
Emp. Form.:
C21H22N4O8S
Mol. Mass.:
490.486
SMILES:
OC1OC(=O)C[C@@H]1NC(=O)CN1CCS(=O)(=O)C[C@H](NC(=O)c2nccc3ccccc23)C1=O
Structure:
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