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Target
Caspase-3
Ligand
BDBM93616
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:
BDBM93616
Synonyms:
1-[4-[[1-[2-(4-hydroxyphenyl)-2-keto-ethyl]triazol-4-yl]methoxy]phenyl]propan-1-one | 1-[4-[[1-[2-(4-hydroxyphenyl)-2-oxidanylidene-ethyl]-1,2,3-triazol-4-yl]methoxy]phenyl]propan-1-one | 1-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]-4-triazolyl]methoxy]phenyl]-1-propanone | 1-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]propan-1-one | KUC104108 | MLS002768355 | SMR001788364 | cid_45480030
Type:
Small organic molecule
Emp. Form.:
C20H19N3O4
Mol. Mass.:
365.3826
SMILES:
CCC(=O)c1ccc(OCc2cn(CC(=O)c3ccc(O)cc3)nn2)cc1
Structure:
Search PDB for entries with ligand similarity: