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Target
Caspase-1
Ligand
BDBM50189360
Substrate
n/a
Meas. Tech.
ChEMBL_388619 (CHEMBL865479)
IC50
3.6±n/a nM
Citation
 Soper, DL; Sheville, J; O'Neil, SV; Wang, Y; Laufersweiler, MC; Oppong, KA; Wos, JA; Ellis, CD; Fancher, AN; Lu, W; Suchanek, MK; Wang, RL; De, B; Demuth, TP Synthesis and evaluation of novel 1-(2-acylhydrazinocarbonyl)-cycloalkyl carboxamides as interleukin-1beta converting enzyme (ICE) inhibitors. Bioorg Med Chem Lett 16:4233-6 (2006) [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:
BDBM50189360
Synonyms:
(1S,10S)-9-[(Isoquinoline-1-carbonyl)-amino]-6,10-dioxo-octahydro-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid ((S)-2-ethoxy-5-oxo-tetrahydro-furan-3-yl)-amide | (1S,9S)-N-((2R,3S)-2-ethoxy-5-oxo-tetrahydrofuran-3-yl)-9-(isoquinoline-1-carboxamido)-6,10-dioxo-octahydro-1H-pyridazino[1,2-a][1,2]diazepine-1-carboxamide
Type:
Small organic molecule
Emp. Form.:
C26H29N5O7
Mol. Mass.:
523.5378
SMILES:
CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1nccc2ccccc12
Structure:
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