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Target
Caspase-3
Ligand
BDBM93644
Substrate
n/a
IC50
32000±1590 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:
BDBM93644
Synonyms:
2-{[5-(3-methoxyphenyl)isoxazol-3-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline | 3,4-dihydro-1H-isoquinolin-2-yl-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone | 3,4-dihydro-1H-isoquinolin-2-yl-[5-(3-methoxyphenyl)-3-isoxazolyl]methanone | 3,4-dihydro-1H-isoquinolin-2-yl-[5-(3-methoxyphenyl)isoxazol-3-yl]methanone | MLS000087070 | SMR000023293 | cid_3240702
Type:
Small organic molecule
Emp. Form.:
C20H18N2O3
Mol. Mass.:
334.3685
SMILES:
COc1cccc(c1)-c1cc(no1)C(=O)N1CCc2ccccc2C1
Structure:
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