| Reaction Details |
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 | Report a problem with these data |
| Target | Caspase-1 |
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| Ligand | BDBM50139695 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_46518 (CHEMBL659312) |
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| IC50 | 3.4±n/a nM |
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| Citation |  Harter, WG; Albrect, H; Brady, K; Caprathe, B; Dunbar, J; Gilmore, J; Hays, S; Kostlan, CR; Lunney, B; Walker, N The design and synthesis of sulfonamides as caspase-1 inhibitors. Bioorg Med Chem Lett14:809-12 (2004) [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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| BDBM50139695 |
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| n/a |
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| Name | BDBM50139695 |
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| Synonyms: | 3-((S)-2-{(S)-2-[2-((S)-Acetylamino)-3-(4-hydroxy-phenyl)-propionylamino]-4-carboxy-butyrylamino}-propionylamino)-4-oxo-5-(2-phenyl-ethanesulfonylamino)-pentanoic acid | CHEMBL412811 |
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| Type | Small organic molecule |
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| Emp. Form. | C32H41N5O12S |
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| Mol. Mass. | 719.759 |
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| SMILES | C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)NC(CC(O)=O)C(=O)CNS(=O)(=O)CCc1ccccc1 |
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| Structure | 
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