Reaction Details |
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Target | Caspase-1 |
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Ligand | BDBM50189360 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_321472 (CHEMBL880413) |
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IC50 | 2±n/a nM |
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Citation | Oppong, KA; Ellis, CD; Laufersweiler, MC; O'Neil, SV; Wang, Y; Soper, DL; Baize, MW; Wos, JA; De, B; Bosch, GK; Fancher, AN; Lu, W; Suchanek, MK; Wang, RL; Demuth, TP Discovery of novel conformationally restricted diazocan peptidomimetics as inhibitors of interleukin-1beta synthesis. Bioorg Med Chem Lett15:4291-4 (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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BDBM50189360 |
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n/a |
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Name | BDBM50189360 |
Synonyms: | (1S,10S)-9-[(Isoquinoline-1-carbonyl)-amino]-6,10-dioxo-octahydro-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid ((S)-2-ethoxy-5-oxo-tetrahydro-furan-3-yl)-amide | (1S,9S)-N-((2R,3S)-2-ethoxy-5-oxo-tetrahydrofuran-3-yl)-9-(isoquinoline-1-carboxamido)-6,10-dioxo-octahydro-1H-pyridazino[1,2-a][1,2]diazepine-1-carboxamide |
Type | Small organic molecule |
Emp. Form. | C26H29N5O7 |
Mol. Mass. | 523.5378 |
SMILES | CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1nccc2ccccc12 |
Structure |
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