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Target
Caspase-1
Ligand
BDBM50072046
Substrate
n/a
Meas. Tech.
ChEBML_46514
IC50
10400±n/a nM
Citation
 Karanewsky, DS; Bai, X; Linton, SD; Krebs, JF; Wu, J; Pham, B; Tomaselli, KJ Conformationally constrained inhibitors of caspase-1 (interleukin-1 beta converting enzyme) and of the human CED-3 homologue caspase-3 (CPP32, apopain). Bioorg Med Chem Lett 8:2757-62 (1999) [PubMed]  Article 
Target
Name:
Caspase-1
Synonyms:
CASP1_MOUSE | Casp1 | Il1bc
Type:
PROTEIN
Mol. Mass.:
45636.44
Organism:
Mus musculus
Description:
ChEMBL_651546
Residue:
402
Sequence:
MADKILRAKRKQFINSVSIGTINGLLDELLEKRVLNQEEMDKIKLANITAMDKARDLCDHVSKKGPQASQIFITYICNEDCYLAGILELQSAPSAETFVATEDSKGGHPSSSETKEEQNKEDGTFPGLTGTLKFCPLEKAQKLWKENPSEIYPIMNTTTRTRLALIICNTEFQHLSPRVGAQVDLREMKLLLEDLGYTVKVKENLTALEMVKEVKEFAACPEHKTSDSTFLVFMSHGIQEGICGTTYSNEVSDILKVDTIFQMMNTLKCPSLKDKPKVIIIQACRGEKQGVVLLKDSVRDSEEDFLTDAIFEDDGIKKAHIEKDFIAFCSSTPDNVSWRHPVRGSLFIESLIKHMKEYAWSCDLEDIFRKVRFSFEQPEFRLQMPTADRVTLTKRFYLFPGH
  
Inhibitor
Name:
BDBM50072046
Synonyms:
(S)-3-Acetylamino-N-[(3R,6S,9aR)-3-((S)-2-hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-5-oxo-octahydro-thiazolo[3,2-a]azepin-6-yl]-succinamic acid | 3-Acetylamino-N-[3-(2-hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-5-oxo-octahydro-thiazolo[3,2-a]azepin-6-yl]-succinamic acid | CHEMBL329917
Type:
Small organic molecule
Emp. Form.:
C19H26N4O9S
Mol. Mass.:
486.496
SMILES:
CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]1CCC[C@H]2SC[C@H](N2C1=O)C(=O)N[C@H]1CC(=O)OC1O
Structure:
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