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Target
Caspase-1
Ligand
BDBM50175346
Substrate
n/a
Meas. Tech.
ChEMBL_326950 (CHEMBL860329)
IC50
1±n/a nM
Citation
 O'Neil, SV; Wang, Y; Laufersweiler, MC; Oppong, KA; Soper, DL; Wos, JA; Ellis, CD; Baize, MW; Bosch, GK; Fancher, AN; Lu, W; Suchanek, MK; Wang, RL; De, B; Demuth, TP Synthesis and evaluation of novel 8,6-fused bicyclic peptidomimetic compounds as interleukin-1beta converting enzyme inhibitors. Bioorg Med Chem Lett 15:5434-8 (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:
BDBM50175346
Synonyms:
(4S,7S,11aS)-7-(2-naphthamido)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofuran-3-yl)-2-(methylsulfonyl)-6-oxo-decahydro-1H-pyrazino[1,2-a]azocine-4-carboxamide | CHEMBL197811
Type:
Small organic molecule
Emp. Form.:
C27H32N4O8S
Mol. Mass.:
572.63
SMILES:
CS(=O)(=O)N1C[C@@H]2CCCC[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N2[C@@H](C1)C(=O)N[C@H]1CC(=O)OC1O
Structure:
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