Reaction Details Report a problem with these data
Target
Caspase-1
Ligand
BDBM50068955
Substrate
n/a
Meas. Tech.
ChEBML_90979
Ki
11±n/a nM
Citation
 Semple, G; Ashworth, DM; Batt, AR; Baxter, AJ; Benzies, DW; Elliot, LH; Evans, DM; Franklin, RJ; Hudson, P; Jenkins, PD; Pitt, GR; Rooker, DP; Yamamoto, S; Isomura, Y Peptidomimetic aminomethylene ketone inhibitors of interleukin-1 beta-converting enzyme (ICE). Bioorg Med Chem Lett 8:959-64 (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:
BDBM50068955
Synonyms:
3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo-2H-pyridin-1-yl}-butyrylamino)-4-oxo-5-thiomorpholin-4-yl-pentanoic acid | CHEMBL172196
Type:
Small organic molecule
Emp. Form.:
C29H32N4O6S
Mol. Mass.:
564.653
SMILES:
CCC(C(=O)NC(CC(O)=O)C(=O)CN1CCSCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O
Structure:
Search PDB for entries with ligand similarity: