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Target
Caspase-1
Ligand
BDBM50199763
Substrate
n/a
Meas. Tech.
ChEMBL_441110 (CHEMBL891324)
IC50
2±n/a nM
Citation
 Wang, Y; O'Neil, SV; Wos, JA; Oppong, KA; Laufersweiler, MC; Soper, DL; Ellis, CD; Baize, MW; Fancher, AN; Lu, W; Suchanek, MK; Wang, RL; Schwecke, WP; Cruze, CA; Buchalova, M; Belkin, M; De, B; Demuth, TP Synthesis and evaluation of unsaturated caprolactams as interleukin-1beta converting enzyme (ICE) inhibitors. Bioorg Med Chem 15:1311-22 (2007) [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:
BDBM50199763
Synonyms:
CHEMBL397184 | N-((S,Z)-6-(benzamidomethyl)-1-(2-((3S)-2-hydroxy-5-oxo-tetrahydrofuran-3-ylamino)-2-oxoethyl)-2-oxo-2,3,4,7-tetrahydro-1H-azepin-3-yl)-2-naphthamide
Type:
Small organic molecule
Emp. Form.:
C31H30N4O7
Mol. Mass.:
570.5925
SMILES:
OC1OC(=O)C[C@@H]1NC(=O)CN1CC(CNC(=O)c2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O |w:1.0,c:25|
Structure:
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