Target
Caspase-1
Ligand
BDBM50160962
Substrate
n/a
Meas. Tech.
ChEMBL_305650 (CHEMBL829508)
IC50
0.025000±n/a nM
Citation
 Han, YGiroux, AColucci, JBayly, CIMckay, DJRoy, SXanthoudakis, SVaillancourt, JRasper, DMTam, JTawa, PNicholson, DWZamboni, RJ Novel pyrazinone mono-amides as potent and reversible caspase-3 inhibitors. Bioorg Med Chem Lett 15:1173-80 (2005) [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:
BDBM50160962
Synonyms:
(S)-3-(2-{5-Ethyl-3-[(4-methyl-furazan-3-ylmethyl)-amino]-2-oxo-2H-pyrazin-1-yl}-butyrylamino)-5-{[(hexyl-methyl-amino)-methyl]-amino}-4-oxo-pentanoic acid | CHEMBL369290
Type:
Small organic molecule
Emp. Form.:
C27H44N8O6
Mol. Mass.:
576.6883
SMILES:
CCCCCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cc(CC)nc(NCc2nonc2C)c1=O
Structure:
Search PDB for entries with ligand similarity: