| Reaction Details |
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 | Report a problem with these data |
| Target | Caspase-1 |
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| Ligand | BDBM50058530 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_90980 (CHEMBL696527) |
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| Ki | 1±n/a nM |
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| Citation |  Dolle, RE; Prasad, CV; Prouty, CP; Salvino, JM; Awad, MM; Schmidt, SJ; Hoyer, D; Ross, TM; Graybill, TL; Speier, GJ; Uhl, J; Miller, BE; Helaszek, CT; Ator, MA Pyridazinodiazepines as a high-affinity, P2-P3 peptidomimetic class of interleukin-1 beta-converting enzyme inhibitor. J Med Chem40:1941-6 (1997) [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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| BDBM50058530 |
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| n/a |
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| Name | BDBM50058530 |
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| Synonyms: | (S)-3-{[(1S,9S)-9-(2-Fluoro-benzoylamino)-6,10-dioxo-octahydro-pyridazino[1,2-a][1,2]diazepine-1-carbonyl]-amino}-4-oxo-butyric acid | CHEMBL299288 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H23FN4O7 |
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| Mol. Mass. | 462.4283 |
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| SMILES | OC(=O)C[C@H](NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1ccccc1F)C=O |
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| Structure | 
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