Reaction Details Report a problem with these data
Target
Caspase-1
Ligand
BDBM29580
Substrate
Caspase-1 Substrate
Meas. Tech.
Enzyme Inhibition Assay
pH
7.4±n/a
Temperature
310.15±n/a K
IC50
5350±222 nM
Citation
 Chu, W; Rothfuss, J; Chu, Y; Zhou, D; Mach, RH Synthesis and in vitro evaluation of sulfonamide isatin Michael acceptors as small molecule inhibitors of caspase-6. J Med Chem 52:2188-91 (2009) [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:
BDBM29580
Synonyms:
isatin Michael acceptor (IMA) analogue, 13c
Type:
Small organic molecule
Emp. Form.:
C22H16Cl2N4O3S2
Mol. Mass.:
519.423
SMILES:
Clc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#16]-[#6]-[#6]-2)cc1Cl
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Caspase-1 Substrate
Synonyms:
N-acetyl-Tyr-Val-Ala-Asp-AMC (7-amino-4-methylcoumarin)
Type:
Fluorogenic Substrate
Mol. Mass.:
945.11
Organism:
n/a
Description:
n/a
Residue:
9
Sequence:
ACYVADAMC