Reaction Details |
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Target | Caspase-1 |
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Ligand | BDBM50176510 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_553541 (CHEMBL958724) |
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IC50 | 5±n/a nM |
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Citation | Congreve, M; Chessari, G; Tisi, D; Woodhead, AJ Recent developments in fragment-based drug discovery. J Med Chem51:3661-80 (2008) [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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BDBM50176510 |
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n/a |
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Name | BDBM50176510 |
Synonyms: | (S)-4-oxo-3-(2-((4-(quinoxalin-2-ylamino)benzamido)methyl)nicotinamido)butanoic acid | 4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-PYRIDINE-3-CARBONYL)-AMINO]-BUTYRIC ACID | CHEMBL202160 |
Type | Small organic molecule |
Emp. Form. | C26H22N6O5 |
Mol. Mass. | 498.4901 |
SMILES | OC(=O)C[C@H](NC(=O)c1ccc(CNC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)nc1)C=O |r| |
Structure |
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