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Target
Caspase-1
Ligand
BDBM50119264
Substrate
n/a
Meas. Tech.
ChEMBL_46521 (CHEMBL659315)
IC50
2550±n/a nM
Citation
 Linton, SD; Karanewsky, DS; Ternansky, RJ; Chen, N; Guo, X; Jahangiri, KG; Kalish, VJ; Meduna, SP; Robinson, ED; Ullman, BR; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; von Krosigk, U; Roggo, S; Schmitz, A; Tomaselli, KJ Acyl dipeptides as reversible caspase inhibitors. Part 2: further optimization. Bioorg Med Chem Lett 12:2973-5 (2002) [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:
BDBM50119264
Synonyms:
4-[1-(2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-3-methyl-butylcarbamoyl]-4-(naphthalen-1-yloxy)-butyric acid | CHEMBL100643
Type:
Small organic molecule
Emp. Form.:
C25H30N2O8
Mol. Mass.:
486.5143
SMILES:
CC(C)CC(NC(=O)[C@@H](CCC(O)=O)Oc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)OC1O
Structure:
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