Reaction Details Report a problem with these data
Target
Caspase-3
Ligand
BDBM50102103
Substrate
n/a
Meas. Tech.
ChEMBL_1447268 (CHEMBL3378611)
EC50
250±n/a nM
Citation
 Ma, J; Chen, D; Lu, K; Wang, L; Han, X; Zhao, Y; Gong, P Design, synthesis, and structure-activity relationships of novel benzothiazole derivatives bearing the ortho-hydroxy N-carbamoylhydrazone moiety as potent antitumor agents. Eur J Med Chem 86:257-69 (2014) [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:
BDBM50102103
Synonyms:
CHEMBL3330161
Type:
Small organic molecule
Emp. Form.:
C32H32N6O5S2
Mol. Mass.:
644.764
SMILES:
CCN(CC)Cc1ccc2nc(NC(=O)N\N=C\c3ccc(OCc4csc(Cc5ccc6OCOc6c5)n4)cc3O)sc2c1
Structure:
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