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Target
Caspase-3
Ligand
BDBM61232
Substrate
n/a
IC50
407±26 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:
BDBM61232
Synonyms:
(2-bromanyl-4,5-dimethoxy-phenyl)-(6,7-dimethoxyisoquinolin-1-yl)methanone | (2-bromo-4,5-dimethoxy-phenyl)-(6,7-dimethoxy-1-isoquinolyl)methanone | (2-bromo-4,5-dimethoxyphenyl)(6,7-dimethoxy-1-isoquinolinyl)methanone | (2-bromo-4,5-dimethoxyphenyl)-(6,7-dimethoxy-1-isoquinolinyl)methanone | (2-bromo-4,5-dimethoxyphenyl)-(6,7-dimethoxyisoquinolin-1-yl)methanone | MLS001001832 | SMR000498332 | cid_2974206
Type:
Small organic molecule
Emp. Form.:
C20H18BrNO5
Mol. Mass.:
432.265
SMILES:
COc1cc(Br)c(cc1OC)C(=O)c1nccc2cc(OC)c(OC)cc12
Structure:
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