Reaction Details |
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Target | Caspase-1 |
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Ligand | BDBM50199759 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_441110 (CHEMBL891324) |
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IC50 | 3±n/a nM |
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Citation | Wang, Y; O'Neil, SV; Wos, JA; Oppong, KA; Laufersweiler, MC; Soper, DL; Ellis, CD; Baize, MW; Fancher, AN; Lu, W; Suchanek, MK; Wang, RL; Schwecke, WP; Cruze, CA; Buchalova, M; Belkin, M; De, B; Demuth, TP Synthesis and evaluation of unsaturated caprolactams as interleukin-1beta converting enzyme (ICE) inhibitors. Bioorg Med Chem15:1311-22 (2007) [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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BDBM50199759 |
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n/a |
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Name | BDBM50199759 |
Synonyms: | CHEMBL411759 | N-((S,E)-1-(2-((3S)-2-hydroxy-5-oxo-tetrahydrofuran-3-ylamino)-2-oxoethyl)-2-oxo-6-(phenylsulfonamidomethyl)-2,3,4,7-tetrahydro-1H-azepin-3-yl)-2-naphthamide |
Type | Small organic molecule |
Emp. Form. | C30H30N4O8S |
Mol. Mass. | 606.646 |
SMILES | OC1OC(=O)C[C@@H]1NC(=O)CN1CC(CNS(=O)(=O)c2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O |w:1.0,c:26| |
Structure |
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