Reaction Details Report a problem with these data
Target
Caspase-1
Ligand
BDBM50223100
Substrate
n/a
Meas. Tech.
ChEMBL_450040 (CHEMBL899135)
IC50
12±n/a nM
Citation
 Wang, Y; Jia, S; Tseng, B; Drewe, J; Cai, SX Dipeptidyl aspartyl fluoromethylketones as potent caspase inhibitors: peptidomimetic replacement of the P(2) amino acid by 2-aminoaryl acids and other non-natural amino acids. Bioorg Med Chem Lett 17:6178-82 (2007) [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:
BDBM50223100
Synonyms:
2-(2-((S)-2-(benzyloxycarbonyl)-3-methylbutanamido)benzamido)-4-fluoro-3-oxobutanoic acid | CHEMBL237310
Type:
Small organic molecule
Emp. Form.:
C24H26FN3O7
Mol. Mass.:
487.4775
SMILES:
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC(C(O)=O)C(=O)CF |w:27.28|
Structure:
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