| Reaction Details |
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 | Report a problem with these data |
| Target | Caspase-1 |
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| Ligand | BDBM50171127 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_321472 (CHEMBL880413) |
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| IC50 | 44±n/a nM |
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| Citation |  Oppong, KA; Ellis, CD; Laufersweiler, MC; O'Neil, SV; Wang, Y; Soper, DL; Baize, MW; Wos, JA; De, B; Bosch, GK; Fancher, AN; Lu, W; Suchanek, MK; Wang, RL; Demuth, TP Discovery of novel conformationally restricted diazocan peptidomimetics as inhibitors of interleukin-1beta synthesis. Bioorg Med Chem Lett15:4291-4 (2005) [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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| BDBM50171127 |
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| n/a |
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| Name | BDBM50171127 |
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| Synonyms: | CHEMBL196571 | Naphthalene-2-carboxylic acid [(S)-1-[((S)-2-hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-methyl]-5-(morpholine-4-carbonyl)-2-oxo-[1,5]diazocan-3-yl]-amide |
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| Type | Small organic molecule |
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| Emp. Form. | C28H33N5O8 |
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| Mol. Mass. | 567.5903 |
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| SMILES | OC1OC(=O)C[C@@H]1NC(=O)CN1CCCN(C[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)C(=O)N1CCOCC1 |
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| Structure | 
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