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Target
Caspase-1
Ligand
BDBM50091575
Substrate
n/a
Meas. Tech.
ChEMBL_46496 (CHEMBL659499)
IC50
0.4±n/a nM
Citation
 Talanian, RV; Brady, KD; Cryns, VL Caspases as targets for anti-inflammatory and anti-apoptotic drug discovery. J Med Chem 43:3351-71 (2000) [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:
BDBM50091575
Synonyms:
5-(7,7-Dimethyl-2-oxo-bicyclo[2.2.1]hept-1-ylmethanesulfonylamino)-3-(3-methyl-2-{[2-(1-methyl-1H-indol-3-yl)-ethylcarbamoyl]-methyl}-butyrylamino)-4-oxo-pentanoic acid | CHEMBL112207
Type:
Small organic molecule
Emp. Form.:
C33H46N4O8S
Mol. Mass.:
658.805
SMILES:
CC(C)[C@H](CC(=O)NCCc1cn(C)c2ccccc12)C(=O)NC(CC(O)=O)C(=O)CNS(=O)(=O)CC12CCC(CC1=O)C2(C)C |TLB:42:41:43:37.38|
Structure:
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