Reaction Details |
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Target | Caspase-1 |
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Ligand | BDBM166683 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1622647 (CHEMBL3864999) |
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Ki | 50±n/a nM |
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Citation | Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE Variation of the aryl substituent on the piperazine ring within the 4-(piperazin-1-yl)-2,6-di(pyrrolidin-1-yl)pyrimidine scaffold unveils potent, non-competitive inhibitors of the inflammatory caspases. Bioorg Med Chem Lett26:5476-5480 (2016) [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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BDBM166683 |
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n/a |
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Name | BDBM166683 |
Synonyms: | U74389G (B9) |
Type | Small organic molecule |
Emp. Form. | C37H50N6O2 |
Mol. Mass. | 610.8319 |
SMILES | C[C@]12CC=C3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1 |r,c:3,12,t:8| |
Structure |
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