Reaction Details Report a problem with these data
Target
Caspase-1
Ligand
BDBM10341
Substrate
Caspase-1 Fluorogenic Substrate
Meas. Tech.
Caspase Inhibition Assay
IC50
>50000±n/a nM
Citation
 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH N-benzylisatin sulfonamide analogues as potent caspase-3 inhibitors: synthesis, in vitro activity, and molecular modeling studies. J Med Chem 48:7637-47 (2005) [PubMed]  Article 
Target
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:
MADKVLKEKRKLFIRSMGEGTINGLLDELLQTRVLNKEEMEKVKRENATVMDKTRALIDSVIPKGAQACQICITYICEEDSYLAGTLGLSADQTSGNYLNMQDSQGVLSSFPAPQAVQDNPAMPTSSGSEGNVKLCSLEEAQRIWKQKSAEIYPIMDKSSRTRLALIICNEEFDSIPRRTGAEVDITGMTMLLQNLGYSVDVKKNLTASDMTTELEAFAHRPEHKTSDSTFLVFMSHGIREGICGKKHSEQVPDILQLNAIFNMLNTKNCPSLKDKPKVIIIQACRGDSPGVVWFKDSVGVSGNLSLPTTEEFEDDAIKKAHIEKDFIAFCSSTPDNVSWRHPTMGSVFIGRLIEHMQEYACSCDVEEIFRKVRFSFEQPDGRAQMPTTERVTLTRCFYLFPGH
  
Inhibitor
Name:
BDBM10341
Synonyms:
(S)-1-(4-Methoxybenzyl)-5-(2-phenoxymethyl-azetidine-1-sulfonyl)-1H-indole-2,3-dione | 1-[(4-methoxyphenyl)methyl]-5-{[(2S)-2-(phenoxymethyl)azetidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione | Azetidine Isatin Analogue 18c
Type:
Small organic molecule
Emp. Form.:
C26H24N2O6S
Mol. Mass.:
492.544
SMILES:
COc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Caspase-1 Fluorogenic Substrate
Synonyms:
Ac-YVAD-AMC
Type:
n/a
Mol. Mass.:
1713.07
Organism:
n/a
Description:
AMC=7-Amino-4-methylcoumarin
Residue:
17
Sequence:
ACTYRVALALAASPAMC