Reaction Details Report a problem with these data
Target
Caspase-1
Ligand
BDBM50325267
Substrate
n/a
Meas. Tech.
ChEMBL_651931 (CHEMBL1227461)
Ki
6770±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:
BDBM50325267
Synonyms:
(S)-3-(benzyloxycarbonylamino)-4-oxo-5-(2-oxoindolin-1-yloxy)pentanoic acid | CHEMBL1222973
Type:
Small organic molecule
Emp. Form.:
C21H20N2O7
Mol. Mass.:
412.3927
SMILES:
OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COn1c(O)cc2ccccc12 |r|
Structure:
Search PDB for entries with ligand similarity: