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Target
Caspase-3
Ligand
BDBM50257480
Substrate
n/a
Meas. Tech.
ChEMBL_562695 (CHEMBL1012730)
IC50
6080±n/a nM
Citation
 Podichetty, AK; Faust, A; Kopka, K; Wagner, S; Schober, O; Schäfers, M; Haufe, G Fluorinated isatin derivatives. Part 1: synthesis of new N-substituted (S)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatins as potent caspase-3 and -7 inhibitors. Bioorg Med Chem 17:2680-8 (2009) [PubMed]  Article 
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:
Human
Description:
n/a
Residue:
277
Sequence:
MENTENSVDSKSIKNLEPKIIHGSESMDSGISLDNSYKMDYPEMGLCIIINNKNFHKSTGMTSRSGTDVDAANLRETFRNLKYEVRNKNDLTREEIVELMRDVSKEDHSKRSSFVCVLLSHGEEGIIFGTNGPVDLKKITNFFRGDRCRSLTGKPKLFIIQACRGTELDCGIETDSGVDDDMACHKIPVEADFLYAYSTAPGYYSWRNSKDGSWFIQSLCAMLKQYADKLEFMHILTRVNRKVATEFESFSFDATFHAKKQIPCIVSMLTKELYFYH
  
Inhibitor
Name:
BDBM50257480
Synonyms:
(S)-3,3-Difluoro-1-(3-fluoropropyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]indolin-2-one | CHEMBL494539
Type:
Small organic molecule
Emp. Form.:
C17H23F3N2O3S
Mol. Mass.:
392.436
SMILES:
COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N(CCCF)CC(F)(F)c2c1 |r|
Structure:
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