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Target
Caspase-3
Ligand
BDBM93547
Substrate
n/a
IC50
8350±378 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:
BDBM93547
Synonyms:
MLS002471463 | SMR001395129 | [3-[[[1-isopropyl-6-[(1R)-1-methylolpropoxy]benzimidazol-4-yl]amino]methyl]phenyl]ammonium | [3-[[[6-[(2R)-1-hydroxybutan-2-yl]oxy-1-propan-2-yl-4-benzimidazolyl]amino]methyl]phenyl]ammonium | [3-[[[6-[(2R)-1-hydroxybutan-2-yl]oxy-1-propan-2-ylbenzimidazol-4-yl]amino]methyl]phenyl]azanium | [3-[[[6-[(2R)-1-oxidanylbutan-2-yl]oxy-1-propan-2-yl-benzimidazol-4-yl]amino]methyl]phenyl]azanium | cid_53299363
Type:
Small organic molecule
Emp. Form.:
C21H29N4O2
Mol. Mass.:
369.48
SMILES:
CC[C@H](CO)Oc1cc(NCc2cccc([NH3+])c2)c2ncn(C(C)C)c2c1
Structure:
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