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Target
Caspase-3
Ligand
BDBM50171134
Substrate
n/a
Meas. Tech.
ChEMBL_321470 (CHEMBL880411)
IC50
>10000±n/a nM
Citation
 Oppong, KA; Ellis, CD; Laufersweiler, MC; O'Neil, SV; Wang, Y; Soper, DL; Baize, MW; Wos, JA; De, B; Bosch, GK; Fancher, AN; Lu, W; Suchanek, MK; Wang, RL; Demuth, TP Discovery of novel conformationally restricted diazocan peptidomimetics as inhibitors of interleukin-1beta synthesis. Bioorg Med Chem Lett 15:4291-4 (2005) [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:
Homo sapiens (Human)
Description:
n/a
Residue:
277
Sequence:
MENTENSVDSKSIKNLEPKIIHGSESMDSGISLDNSYKMDYPEMGLCIIINNKNFHKSTGMTSRSGTDVDAANLRETFRNLKYEVRNKNDLTREEIVELMRDVSKEDHSKRSSFVCVLLSHGEEGIIFGTNGPVDLKKITNFFRGDRCRSLTGKPKLFIIQACRGTELDCGIETDSGVDDDMACHKIPVEADFLYAYSTAPGYYSWRNSKDGSWFIQSLCAMLKQYADKLEFMHILTRVNRKVATEFESFSFDATFHAKKQIPCIVSMLTKELYFYH
  
Inhibitor
Name:
BDBM50171134
Synonyms:
CHEMBL370347 | Isoquinoline-1-carboxylic acid {(S)-5-benzoyl-1-[((S)-2-hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-methyl]-2-oxo-[1,5]diazocan-3-yl}-amide
Type:
Small organic molecule
Emp. Form.:
C29H29N5O7
Mol. Mass.:
559.5699
SMILES:
OC1OC(=O)C[C@@H]1NC(=O)CN1CCCN(C[C@H](NC(=O)c2nccc3ccccc23)C1=O)C(=O)c1ccccc1
Structure:
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