| Reaction Details |
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 | Report a problem with these data |
| Target | Caspase-1 |
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| Ligand | BDBM50111802 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_91006 |
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| Ki | 90±n/a nM |
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| Citation |  Lauffer, DJ; Mullican, MD A practical synthesis of (S) 3-tert-butoxycarbonylamino-2-oxo-2,3,4,5-tetrahydro-1,5-benzodiazepine-1-acetic acid methyl ester as a conformationally restricted dipeptido-mimetic for caspase-1 (ICE) inhibitors. Bioorg Med Chem Lett12:1225-7 (2002) [PubMed] |
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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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| BDBM50111802 |
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| n/a |
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| Name | BDBM50111802 |
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| Synonyms: | 1N-[2-hydroxy-5-oxo-(3S)-dihydro-3-furanyl]-2-[2-oxo-3-phenylcarboxamido-5-(3-phenylpropanoyl)-(3S)-2,5-dihydro-1H-benzo[b][1,4]diazepin-1-yl]acetamide | CHEMBL283789 |
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| Type | Small organic molecule |
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| Emp. Form. | C31H30N4O7 |
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| Mol. Mass. | 570.5925 |
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| SMILES | OC1OC(=O)C[C@@H]1NC(=O)CN1c2ccccc2N(C[C@H](NC(=O)c2ccccc2)C1=O)C(=O)CCc1ccccc1 |
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| Structure | 
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