Reaction Details Report a problem with these data
Target
Caspase-1
Ligand
BDBM76321
Substrate
n/a
Meas. Tech.
Dose Response confirmation of inhibitors of NALP1 in yeast using a Caspase-1-ASC counter screen.
IC50
6520±n/a nM
Citation
 PubChem, PC Dose Response confirmation of inhibitors of NALP1 in yeast using a Caspase-1-ASC counter screen. PubChem Bioassay (2010)[AID] 
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:
BDBM76321
Synonyms:
3-chloranyl-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide;hydrochloride | 3-chloro-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide;hydrochloride | 3-chloro-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzothiophene-2-carboxamide;hydrochloride | MLS000696693 | SMR000237207 | cid_12006173
Type:
Small organic molecule
Emp. Form.:
C22H22ClN3OS2
Mol. Mass.:
444.013
SMILES:
CN(C)CCCN(C(=O)c1sc2ccccc2c1Cl)c1nc2ccc(C)cc2s1
Structure:
Search PDB for entries with ligand similarity: