Reaction Details |
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Target | Caspase-1 |
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Ligand | BDBM50176518 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_332180 (CHEMBL869995) |
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Ki | 5200±n/a nM |
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Citation | Fahr, BT; O'Brien, T; Pham, P; Waal, ND; Baskaran, S; Raimundo, BC; Lam, JW; Sopko, MM; Purkey, HE; Romanowski, MJ Tethering identifies fragment that yields potent inhibitors of human caspase-1. Bioorg Med Chem Lett16:559-62 (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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BDBM50176518 |
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n/a |
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Name | BDBM50176518 |
Synonyms: | (S)-4-oxo-3-(4-(4-(quinoxalin-2-ylamino)benzamido)butanamido)butanoic acid | CHEMBL202052 |
Type | Small organic molecule |
Emp. Form. | C23H23N5O5 |
Mol. Mass. | 449.4592 |
SMILES | OC(=O)C[C@H](NC(=O)CCCNC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1)C=O |
Structure |
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