Reaction Details Report a problem with these data
Target
Caspase-3
Ligand
BDBM93582
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:
BDBM93582
Synonyms:
5-(4-morpholinyl)-2-(4-nitrophenyl)-4H-pyrazol-3-one | 5-Morpholin-4-yl-2-(4-nitro-phenyl)-2,4-dihydro-pyrazol-3-one | 5-morpholin-4-yl-2-(4-nitrophenyl)-4H-pyrazol-3-one | 5-morpholino-2-(4-nitrophenyl)-2-pyrazolin-3-one | MLS001047248 | SMR000427083 | cid_574330
Type:
Small organic molecule
Emp. Form.:
C13H14N4O4
Mol. Mass.:
290.2747
SMILES:
Oc1cc([n-]n1-c1ccc(cc1)[N+]([O-])=O)=[N+]1CCOCC1 |(9.9,.76,;8.44,1.24,;7.96,2.7,;6.42,2.7,;5.95,1.24,;7.19,.33,;7.19,-1.21,;5.86,-1.98,;5.86,-3.52,;7.19,-4.29,;8.53,-3.52,;8.53,-1.98,;7.19,-5.83,;5.86,-6.6,;8.53,-6.6,;5.52,3.95,;3.99,3.79,;3.08,5.03,;3.71,6.44,;5.24,6.6,;6.14,5.35,)|
Structure:
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