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Target
Caspase-3
Ligand
BDBM50189370
Substrate
n/a
Meas. Tech.
ChEMBL_388621 (CHEMBL865481)
IC50
>10000±n/a nM
Citation
 Soper, DL; Sheville, J; O'Neil, SV; Wang, Y; Laufersweiler, MC; Oppong, KA; Wos, JA; Ellis, CD; Fancher, AN; Lu, W; Suchanek, MK; Wang, RL; De, B; Demuth, TP Synthesis and evaluation of novel 1-(2-acylhydrazinocarbonyl)-cycloalkyl carboxamides as interleukin-1beta converting enzyme (ICE) inhibitors. Bioorg Med Chem Lett 16:4233-6 (2006) [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:
BDBM50189370
Synonyms:
CHEMBL212870 | N'-(2-(((3S)-2-hydroxy-5-oxo-tetrahydrofuran-3-yl)carbamoyl)-2,3-dihydro-1H-indene-2-carbonyl)-1-naphthohydrazide
Type:
Small organic molecule
Emp. Form.:
C26H23N3O6
Mol. Mass.:
473.4773
SMILES:
OC1OC(=O)C[C@@H]1NC(=O)C1(Cc2ccccc2C1)C(=O)NNC(=O)c1cccc2ccccc12
Structure:
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