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Target
Caspase-1
Ligand
BDBM50058530
Substrate
n/a
Meas. Tech.
ChEMBL_90980 (CHEMBL696527)
Ki
1±n/a nM
Citation
 Dolle, RE; Prasad, CV; Prouty, CP; Salvino, JM; Awad, MM; Schmidt, SJ; Hoyer, D; Ross, TM; Graybill, TL; Speier, GJ; Uhl, J; Miller, BE; Helaszek, CT; Ator, MA Pyridazinodiazepines as a high-affinity, P2-P3 peptidomimetic class of interleukin-1 beta-converting enzyme inhibitor. J Med Chem 40:1941-6 (1997) [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:
BDBM50058530
Synonyms:
(S)-3-{[(1S,9S)-9-(2-Fluoro-benzoylamino)-6,10-dioxo-octahydro-pyridazino[1,2-a][1,2]diazepine-1-carbonyl]-amino}-4-oxo-butyric acid | CHEMBL299288
Type:
Small organic molecule
Emp. Form.:
C21H23FN4O7
Mol. Mass.:
462.4283
SMILES:
OC(=O)C[C@H](NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1ccccc1F)C=O
Structure:
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