Reaction Details Report a problem with these data
Target
Caspase-7
Ligand
BDBM50340542
Substrate
n/a
Meas. Tech.
ChEMBL_741341 (CHEMBL1764810)
IC50
6.1±n/a nM
Citation
 Chu, W; Rothfuss, J; Zhou, D; Mach, RH Synthesis and evaluation of isatin analogs as caspase-3 inhibitors: introduction of a hydrophilic group increases potency in a whole cell assay. Bioorg Med Chem Lett 21:2192-7 (2011) [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:
BDBM50340542
Synonyms:
(S)-1-((1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl)methyl)-5-(2-((pyridin-3-yloxy)methyl)azetidin-1-ylsulfonyl)indoline-2,3-dione | CHEMBL1762362
Type:
Small organic molecule
Emp. Form.:
C22H21FN6O5S
Mol. Mass.:
500.503
SMILES:
FCCn1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2cccnc2)nn1 |r|
Structure:
Search PDB for entries with ligand similarity: