| Reaction Details |
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 | Report a problem with these data |
| Target | Caspase-1 |
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| Ligand | BDBM50453060 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1748955 (CHEMBL4183465) |
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| IC50 | 3.0±n/a nM |
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| 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 Chem61:4030-4051 (2018) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Caspase-1 |
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| Name: | Caspase-1 |
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| Synonyms: | CASP1 | CASP1_HUMAN | Caspase | Caspase 1 | ICE | IL1BC | IL1BCE | Interleukin-1 beta convertase | Interleukin-1 beta-converting enzyme |
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| Type: | Enzyme |
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| Mol. Mass.: | 45154.13 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P29466 |
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| Residue: | 404 |
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| Sequence: | MADKVLKEKRKLFIRSMGEGTINGLLDELLQTRVLNKEEMEKVKRENATVMDKTRALIDS
VIPKGAQACQICITYICEEDSYLAGTLGLSADQTSGNYLNMQDSQGVLSSFPAPQAVQDN
PAMPTSSGSEGNVKLCSLEEAQRIWKQKSAEIYPIMDKSSRTRLALIICNEEFDSIPRRT
GAEVDITGMTMLLQNLGYSVDVKKNLTASDMTTELEAFAHRPEHKTSDSTFLVFMSHGIR
EGICGKKHSEQVPDILQLNAIFNMLNTKNCPSLKDKPKVIIIQACRGDSPGVVWFKDSVG
VSGNLSLPTTEEFEDDAIKKAHIEKDFIAFCSSTPDNVSWRHPTMGSVFIGRLIEHMQEY
ACSCDVEEIFRKVRFSFEQPDGRAQMPTTERVTLTRCFYLFPGH
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| BDBM50453060 |
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| n/a |
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| Name | BDBM50453060 |
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| Synonyms: | CHEMBL4203893 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H27N7O7 |
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| Mol. Mass. | 573.5567 |
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| SMILES | CC(C)n1cc(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)c(=O)n(CC(=O)N[C@H]2CC(=O)OC2O)c1=O |r| |
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| Structure | 
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