Reaction Details Report a problem with these data
Target
Caspase-1
Ligand
BDBM50175333
Substrate
n/a
Meas. Tech.
ChEMBL_326950 (CHEMBL860329)
IC50
3±n/a nM
Citation
O'Neil, SV; Wang, Y; Laufersweiler, MC; Oppong, KA; Soper, DL; Wos, JA; Ellis, CD; Baize, MW; Bosch, GK; Fancher, AN; Lu, W; Suchanek, MK; Wang, RL; De, B; Demuth, TP Synthesis and evaluation of novel 8,6-fused bicyclic peptidomimetic compounds as interleukin-1beta converting enzyme inhibitors. Bioorg Med Chem Lett 15:5434-8 (2005) [PubMed] Article
More Info.:
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:
BDBM50175333
Synonyms:
(4S,7S,11aS)-7-(benzo[b]thiophene-2-carboxamido)-N-((3S)-2-hydroxy-5-oxo-tetrahydrofuran-3-yl)-6-oxo-1,3,4,6,7,8,11,11a-octahydro-[1,4]oxazino[4,3-a]azocine-4-carboxamide | CHEMBL200266
Type:
Small organic molecule
Emp. Form.:
C24H25N3O7S
Mol. Mass.:
499.536
SMILES:
OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1COC[C@@H]2C\C=C/C[C@H](NC(=O)c3cc4ccccc4s3)C(=O)N12 |c:17|