Reaction Details |
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Target | Caspase-1 |
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Ligand | BDBM50160948 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_305650 (CHEMBL829508) |
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IC50 | 0.130000±n/a nM |
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Citation | Han, Y; Giroux, A; Colucci, J; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, J; Rasper, DM; Tam, J; Tawa, P; Nicholson, DW; Zamboni, RJ Novel pyrazinone mono-amides as potent and reversible caspase-3 inhibitors. Bioorg Med Chem Lett15:1173-80 (2005) [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 |
Synonyms: | CASP1 | CASP1_HUMAN | Caspase | Caspase 1 | ICE | IL1BC | IL1BCE | Interleukin-1 beta convertase | Interleukin-1 beta-converting enzyme |
Type: | Enzyme |
Mol. Mass.: | 45154.13 |
Organism: | Homo sapiens (Human) |
Description: | P29466 |
Residue: | 404 |
Sequence: | MADKVLKEKRKLFIRSMGEGTINGLLDELLQTRVLNKEEMEKVKRENATVMDKTRALIDS
VIPKGAQACQICITYICEEDSYLAGTLGLSADQTSGNYLNMQDSQGVLSSFPAPQAVQDN
PAMPTSSGSEGNVKLCSLEEAQRIWKQKSAEIYPIMDKSSRTRLALIICNEEFDSIPRRT
GAEVDITGMTMLLQNLGYSVDVKKNLTASDMTTELEAFAHRPEHKTSDSTFLVFMSHGIR
EGICGKKHSEQVPDILQLNAIFNMLNTKNCPSLKDKPKVIIIQACRGDSPGVVWFKDSVG
VSGNLSLPTTEEFEDDAIKKAHIEKDFIAFCSSTPDNVSWRHPTMGSVFIGRLIEHMQEY
ACSCDVEEIFRKVRFSFEQPDGRAQMPTTERVTLTRCFYLFPGH
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BDBM50160948 |
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n/a |
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Name | BDBM50160948 |
Synonyms: | (S)-5-Benzylsulfanyl-4-oxo-3-(2-{2-oxo-3-[(thiazol-2-ylmethyl)-amino]-2H-pyrazin-1-yl}-butyrylamino)-pentanoic acid | CHEMBL181768 |
Type | Small organic molecule |
Emp. Form. | C24H27N5O5S2 |
Mol. Mass. | 529.632 |
SMILES | CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nccs2)c1=O |
Structure |
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