Reaction Details Report a problem with these data
Target
Caspase-1
Ligand
BDBM50289387
Substrate
n/a
Meas. Tech.
ChEBML_90985
Ki
10±n/a nM
Citation
 Semple, G; Ashworth, DM; Baker, GR; Batt, AR; Baxter, AJ; Benzies, DW; Elliot, LH; Evans, D; Franklin, RJ; Hudson, P; Jenkins, PD; Pitt, GR; Rooker, DP; Sheppard, A; Szelke, M; Yamamoto, S; Isomura, Y PYRIDONE-BASED PEPTIDOMIMETIC INHIBITORS OF INTERLEUKIN-1β-CONVERTING ENZYME (ICE) Bioorg Med Chem Lett 7:1337-1342 (1997)    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:
BDBM50289387
Synonyms:
(S)-3-(2-{6-Benzyl-3-[(naphthalene-1-carbonyl)-amino]-2-oxo-2H-pyridin-1-yl}-acetylamino)-4-oxo-5-phenoxy-pentanoic acid | CHEMBL25864
Type:
Small organic molecule
Emp. Form.:
C36H31N3O7
Mol. Mass.:
617.6472
SMILES:
OC(=O)C[C@H](NC(=O)Cn1c(Cc2ccccc2)ccc(NC(=O)c2cccc3ccccc23)c1=O)C(=O)COc1ccccc1
Structure:
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