Reaction Details |
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Target | Caspase-1 |
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Ligand | BDBM50072054 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_46514 |
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IC50 | 87.0±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 |
Synonyms: | CASP1_MOUSE | Casp1 | Il1bc |
Type: | PROTEIN |
Mol. Mass.: | 45636.44 |
Organism: | Mus musculus |
Description: | ChEMBL_651546 |
Residue: | 402 |
Sequence: | MADKILRAKRKQFINSVSIGTINGLLDELLEKRVLNQEEMDKIKLANITAMDKARDLCDH
VSKKGPQASQIFITYICNEDCYLAGILELQSAPSAETFVATEDSKGGHPSSSETKEEQNK
EDGTFPGLTGTLKFCPLEKAQKLWKENPSEIYPIMNTTTRTRLALIICNTEFQHLSPRVG
AQVDLREMKLLLEDLGYTVKVKENLTALEMVKEVKEFAACPEHKTSDSTFLVFMSHGIQE
GICGTTYSNEVSDILKVDTIFQMMNTLKCPSLKDKPKVIIIQACRGEKQGVVLLKDSVRD
SEEDFLTDAIFEDDGIKKAHIEKDFIAFCSSTPDNVSWRHPVRGSLFIESLIKHMKEYAW
SCDLEDIFRKVRFSFEQPEFRLQMPTADRVTLTKRFYLFPGH
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BDBM50072054 |
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n/a |
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Name | BDBM50072054 |
Synonyms: | CHEMBL318016 | {(S)-1-[(S)-2-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid benzyl ester |
Type | Small organic molecule |
Emp. Form. | C22H29N3O7 |
Mol. Mass. | 447.4816 |
SMILES | CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC(=O)OC1O |
Structure |
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