| Reaction Details |
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 | Report a problem with these data |
| Target | Caspase-1 |
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| Ligand | BDBM50199768 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_441110 (CHEMBL891324) |
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| IC50 | 3±n/a nM |
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| Citation |  Wang, Y; O'Neil, SV; Wos, JA; Oppong, KA; Laufersweiler, MC; Soper, DL; Ellis, CD; Baize, MW; Fancher, AN; Lu, W; Suchanek, MK; Wang, RL; Schwecke, WP; Cruze, CA; Buchalova, M; Belkin, M; De, B; Demuth, TP Synthesis and evaluation of unsaturated caprolactams as interleukin-1beta converting enzyme (ICE) inhibitors. Bioorg Med Chem15:1311-22 (2007) [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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| BDBM50199768 |
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| n/a |
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| Name | BDBM50199768 |
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| Synonyms: | (S)-3-((4S,7S,11aS,Z)-7-(isoquinoline-1-carboxamido)-6-oxo-1,3,4,6,7,8,11,11a-octahydro-[1,4]oxazino[4,3-a]azocine-4-carboxamido)-4-oxobutanoic acid | CHEMBL242298 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H26N4O7 |
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| Mol. Mass. | 494.4965 |
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| SMILES | OC(=O)C[C@H](NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12)C=O |c:14| |
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| Structure | 
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