Reaction Details Report a problem with these data
Target
Caspase-7
Ligand
BDBM10653
Substrate
Caspase Fluorogenic Substrate
Meas. Tech.
Caspase Inhibition Assay
IC50
24±n/a nM
Citation
 Han, Y; Giroux, A; Grimm, EL; Aspiotis, R; Francoeur, S; Bayly, CI; Mckay, DJ; Roy, S; Xanthoudakis, S; Vaillancourt, JP; Rasper, DM; Tam, J; Tawa, P; Thornberry, NA; Paterson, EP; Garcia-Calvo, M; Becker, JW; Rotonda, J; Nicholson, DW; Zamboni, RJ Discovery of novel aspartyl ketone dipeptides as potent and selective caspase-3 inhibitors. Bioorg Med Chem Lett 14:805-8 (2004) [PubMed]  Article 
Target
Name:
Caspase-7
Synonyms:
Apoptotic protease Mch-3 | CASP-7 | CASP7 | CASP7_HUMAN | CMH-1 | Caspase | MCH3 | caspase 7, apoptosis-related cysteine peptidase
Type:
Enzyme
Mol. Mass.:
34273.91
Organism:
Homo sapiens (Human)
Description:
P55210
Residue:
303
Sequence:
MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ
  
Inhibitor
Name:
BDBM10653
Synonyms:
(3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-3-{[N-({2-ETHOXY-5-[(1E)-3-METHOXY-3-OXOPROP-1-ENYL]PHENYL}ACETYL)-D-VALYL]AMINO}-4-OXOPENTANOIC ACID | (3S)-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-[(2S)-2-(1-{2-ethoxy-5-[(1E)-3-methoxy-3-oxoprop-1-en-1-yl]phenyl}acetamido)-3-methylbutanamido]-4-oxopentanoic acid | CINNAMIC ACID METHYL ESTER INHIBITOR | Compound 3 | valine aspartyl ketone analog 14
Type:
Small organic molecule
Emp. Form.:
C31H36ClFN2O8S
Mol. Mass.:
651.143
SMILES:
CCOc1ccc(\C=C\C(=O)OC)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Caspase Fluorogenic Substrate
Synonyms:
Ac-DEVD-AMC | Caspase Fluorogenic Substrate
Type:
Peptide
Mol. Mass.:
1461.77
Organism:
n/a
Description:
AMC=7-Amino-4-methylcoumarin
Residue:
16
Sequence:
ACASPGLVALASPAMC