Reaction Details |
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Target | Caspase-1 |
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Ligand | BDBM50340536 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_741339 (CHEMBL1764808) |
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IC50 | 2900±n/a nM |
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Citation | Chu, W; Rothfuss, J; Zhou, D; Mach, RH Synthesis and evaluation of isatin analogs as caspase-3 inhibitors: introduction of a hydrophilic group increases potency in a whole cell assay. Bioorg Med Chem Lett21:2192-7 (2011) [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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BDBM50340536 |
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n/a |
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Name | BDBM50340536 |
Synonyms: | (S)-2-(1-(4-(2-fluoroethoxy)benzyl)-2-oxo-5-(2-((pyridin-3-yloxy)methyl)azetidin-1-ylsulfonyl)indolin-3-ylidene)malononitrile | CHEMBL1762356 |
Type | Small organic molecule |
Emp. Form. | C29H24FN5O5S |
Mol. Mass. | 573.595 |
SMILES | F[#6]-[#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](/C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6@H]-2-[#6]-[#8]-c2cccnc2)cc1 |r| |
Structure |
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