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Target
Caspase-1
Ligand
BDBM50091585
Substrate
n/a
Meas. Tech.
ChEMBL_46496 (CHEMBL659499)
IC50
18.5±n/a nM
Citation
 Talanian, RV; Brady, KD; Cryns, VL Caspases as targets for anti-inflammatory and anti-apoptotic drug discovery. J Med Chem 43:3351-71 (2000) [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:
BDBM50091585
Synonyms:
3-((S)-2-{(S)-2-[2-((S)-Acetylamino)-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-butyrylamino}-propionylamino)-4-oxo-9-phenyl-nonanoic acid | 3-(2-{2-[2-Acetylamino-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-butyrylamino}-propionylamino)-4-oxo-9-phenyl-nonanoic acid | CHEMBL111938
Type:
Small organic molecule
Emp. Form.:
C34H46N4O8
Mol. Mass.:
638.751
SMILES:
CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CCCCCc1ccccc1
Structure:
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