| Reaction Details |
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 | Report a problem with these data |
| Target | Caspase-1 |
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| Ligand | BDBM50072044 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_46514 |
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| IC50 | 36±n/a nM |
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| Citation |  Karanewsky, DS; Bai, X; Linton, SD; Krebs, JF; Wu, J; Pham, B; Tomaselli, KJ Conformationally constrained inhibitors of caspase-1 (interleukin-1 beta converting enzyme) and of the human CED-3 homologue caspase-3 (CPP32, apopain). Bioorg Med Chem Lett8:2757-62 (1999) [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_MOUSE | Casp1 | Il1bc |
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| Type: | PROTEIN |
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| Mol. Mass.: | 45636.44 |
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| Organism: | Mus musculus |
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| Description: | ChEMBL_651546 |
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| Residue: | 402 |
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| Sequence: | MADKILRAKRKQFINSVSIGTINGLLDELLEKRVLNQEEMDKIKLANITAMDKARDLCDH
VSKKGPQASQIFITYICNEDCYLAGILELQSAPSAETFVATEDSKGGHPSSSETKEEQNK
EDGTFPGLTGTLKFCPLEKAQKLWKENPSEIYPIMNTTTRTRLALIICNTEFQHLSPRVG
AQVDLREMKLLLEDLGYTVKVKENLTALEMVKEVKEFAACPEHKTSDSTFLVFMSHGIQE
GICGTTYSNEVSDILKVDTIFQMMNTLKCPSLKDKPKVIIIQACRGEKQGVVLLKDSVRD
SEEDFLTDAIFEDDGIKKAHIEKDFIAFCSSTPDNVSWRHPVRGSLFIESLIKHMKEYAW
SCDLEDIFRKVRFSFEQPEFRLQMPTADRVTLTKRFYLFPGH
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|
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| BDBM50072044 |
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| n/a |
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| Name | BDBM50072044 |
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| Synonyms: | CHEMBL419508 | [(4S,7S,10aS)-4-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-6-oxo-decahydro-pyrido[1,2-a]azepin-7-yl]-carbamic acid benzyl ester | [4-(2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-6-oxo-decahydro-pyrido[1,2-a]azepin-7-yl]-carbamic acid benzyl ester |
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| Type | Small organic molecule |
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| Emp. Form. | C23H29N3O7 |
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| Mol. Mass. | 459.4923 |
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| SMILES | OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]2CCC[C@H](NC(=O)OCc3ccccc3)C(=O)N12 |
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| Structure | 
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