Reaction Details Report a problem with these data
Target
Caspase-3
Ligand
BDBM93699
Substrate
n/a
IC50
>100000±0 nM
Citation
 PubChem, PC Dose-response confirmation of uHTS inhibitor hits of Sentrin-Specific Protease 8 in a Caspase-3 Fluorescence assay PubChem Bioassay (2012)[AID] 
Target
Name:
Caspase-3
Synonyms:
Apopain | CASP-3 | CASP3 | CASP3_HUMAN | CPP-32 | CPP32 | Caspase 3 | Caspase-3 subunit p12 | Caspase-3 subunit p17 | Cysteine protease CPP32 | SCA-1 | SREBP cleavage activity 1 | Yama protein | caspase-3 preproprotein
Type:
Hydrolase; heterotetramer of two heterodimers
Mol. Mass.:
31607.55
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
277
Sequence:
MENTENSVDSKSIKNLEPKIIHGSESMDSGISLDNSYKMDYPEMGLCIIINNKNFHKSTGMTSRSGTDVDAANLRETFRNLKYEVRNKNDLTREEIVELMRDVSKEDHSKRSSFVCVLLSHGEEGIIFGTNGPVDLKKITNFFRGDRCRSLTGKPKLFIIQACRGTELDCGIETDSGVDDDMACHKIPVEADFLYAYSTAPGYYSWRNSKDGSWFIQSLCAMLKQYADKLEFMHILTRVNRKVATEFESFSFDATFHAKKQIPCIVSMLTKELYFYH
  
Inhibitor
Name:
BDBM93699
Synonyms:
5-nitro-2-thiophenecarboxylic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester | 5-nitrothiophene-2-carboxylic acid [2-keto-2-(1-phenylethylamino)ethyl] ester | MLS000392188 | SMR000261166 | [2-oxidanylidene-2-(1-phenylethylamino)ethyl] 5-nitrothiophene-2-carboxylate | [2-oxo-2-(1-phenylethylamino)ethyl] 5-nitrothiophene-2-carboxylate | cid_3303189
Type:
Small organic molecule
Emp. Form.:
C15H14N2O5S
Mol. Mass.:
334.347
SMILES:
CC(NC(=O)COC(=O)c1ccc(s1)[N+]([O-])=O)c1ccccc1
Structure:
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