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Target
Caspase-1
Ligand
BDBM50453029
Substrate
n/a
Meas. Tech.
ChEMBL_1748962 (CHEMBL4183472)
IC50
27±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:
BDBM50453029
Synonyms:
CHEMBL4216115
Type:
Small organic molecule
Emp. Form.:
C30H29N7O7
Mol. Mass.:
599.594
SMILES:
CC(C)n1cc(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)c(=O)n(c1=O)C1(CC1)C(=O)N[C@H]1CC(=O)OC1O |r|
Structure:
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