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Target
Caspase-1
Ligand
BDBM50453944
Substrate
n/a
Meas. Tech.
ChEMBL_1751621 (CHEMBL4186381)
IC50
5.0±n/a nM
Citation
 Brethon, A; Chantalat, L; Christin, O; Clary, L; Fournier, JF; Gastreich, M; Harris, CS; Isabet, T; Pascau, J; Thoreau, E; Roche, D; Rodeschini, V New Caspase-1 inhibitor by scaffold hopping into bio-inspired 3D-fragment space. Bioorg Med Chem Lett 27:5373-5377 (2017) [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:
BDBM50453944
Synonyms:
CHEMBL4217577
Type:
Small organic molecule
Emp. Form.:
C22H29ClN4O6
Mol. Mass.:
480.942
SMILES:
CC(C)(C)[C@H](NC(=O)c1ccc(N)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O |r|
Structure:
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