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Target
Caspase-1
Ligand
BDBM50071541
Substrate
n/a
Meas. Tech.
ChEMBL_141001 (CHEMBL747009)
Ki
4500±n/a nM
Citation
 Warmus, JS; Ryder, TR; Hodges, JC; Kennedy, RM; Brady, KD Rapid optimization of an ICE inhibitor synthesis using multiple reaction conditions in a parallel array. Bioorg Med Chem Lett 8:2309-14 (1999) [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:
BDBM50071541
Synonyms:
(S)-3-(benzyloxycarbonylamino)-4-oxo-5-(3-phenylpropanoyloxy)pentanoic acid | (S)-3-Benzyloxycarbonylamino-4-oxo-5-(3-phenyl-propionyloxy)-pentanoic acid | CHEMBL73653
Type:
Small organic molecule
Emp. Form.:
C22H23NO7
Mol. Mass.:
413.4205
SMILES:
OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)CCc1ccccc1
Structure:
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