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Target
Caspase-1
Ligand
BDBM50453061
Substrate
n/a
Meas. Tech.
ChEMBL_1748962 (CHEMBL4183472)
IC50
200±n/a nM
Citation
 Fournier, JF; Clary, L; Chambon, S; Dumais, L; Harris, CS; Millois, C; Pierre, R; Talano, S; Thoreau, É; Aubert, J; Aurelly, M; Bouix-Peter, C; Brethon, A; Chantalat, L; Christin, O; Comino, C; El-Bazbouz, G; Ghilini, AL; Isabet, T; Lardy, C; Luzy, AP; Mathieu, C; Mebrouk, K; Orfila, D; Pascau, J; Reverse, K; Roche, D; Rodeschini, V; Hennequin, LF Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne. J Med Chem 61:4030-4051 (2018) [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:
BDBM50453061
Synonyms:
CHEMBL4203155
Type:
Small organic molecule
Emp. Form.:
C32H34N6O7
Mol. Mass.:
614.6484
SMILES:
CCC(C(=O)N[C@H]1CC(=O)OC1O)n1c(=O)c(NC(=O)c2ncc(Nc3ccc4ccccc4c3)cc2C)cn(C(C)C)c1=O |r|
Structure:
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