Reaction Details |
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Target | Caspase-1 |
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Ligand | BDBM50308240 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_613719 (CHEMBL1070962) |
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Ki | 1370±n/a nM |
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Citation | Löser, R; Abbenante, G; Madala, PK; Halili, M; Le, GT; Fairlie, DP Noncovalent tripeptidyl benzyl- and cyclohexyl-amine inhibitors of the cysteine protease caspase-1. J Med Chem53:2651-5 (2010) [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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BDBM50308240 |
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n/a |
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Name | BDBM50308240 |
Synonyms: | (S)-3-((S)-2-((S)-2-(2-naphthamido)-3-methylbutanamido)propanamido)-4-(4-hydroxybenzylamino)butanoic acid | CHEMBL591239 |
Type | Small organic molecule |
Emp. Form. | C30H36N4O6 |
Mol. Mass. | 548.63 |
SMILES | CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](CNCc1ccc(O)cc1)CC(O)=O |r| |
Structure |
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