Reaction Details Report a problem with these data
Target
Caspase-9
Ligand
BDBM13167
Substrate
n/a
Meas. Tech.
ChEMBL_1850530 (CHEMBL4351154)
EC50
290±n/a nM
Citation
 Cong, H; Xu, L; Wu, Y; Qu, Z; Bian, T; Zhang, W; Xing, C; Zhuang, C Inhibitor of Apoptosis Protein (IAP) Antagonists in Anticancer Agent Discovery: Current Status and Perspectives. J Med Chem 62:5750-5772 (2019) [PubMed]  Article 
Target
Name:
Caspase-9
Synonyms:
Apoptotic protease-activating factor 1/Caspase-3/Caspase-9/Cytochrome c | Apoptotic protease-activating factor 3 | CASP-9 | CASP9 | CASP9_HUMAN | Caspase 9 | ICE-like apoptotic protease 6 | MCH6 | caspase-9 isoform alpha preproprotein
Type:
Enzyme
Mol. Mass.:
46277.29
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
416
Sequence:
MDEADRRLLRRCRLRLVEELQVDQLWDALLSRELFRPHMIEDIQRAGSGSRRDQARQLIIDLETRGSQALPLFISCLEDTGQDMLASFLRTNRQAAKLSKPTLENLTPVVLRPEIRKPEVLRPETPRPVDIGSGGFGDVGALESLRGNADLAYILSMEPCGHCLIINNVNFCRESGLRTRTGSNIDCEKLRRRFSSLHFMVEVKGDLTAKKMVLALLELAQQDHGALDCCVVVILSHGCQASHLQFPGAVYGTDGCPVSVEKIVNIFNGTSCPSLGGKPKLFFIQACGGEQKDHGFEVASTSPEDESPGSNPEPDATPFQEGLRTFDQLDAISSLPTPSDIFVSYSTFPGFVSWRDPKSGSWYVETLDDIFEQWAHSEDLQSLLLRVANAVSVKGIYKQMPGCFNFLRKKLFFKTS
  
Inhibitor
Name:
BDBM13167
Synonyms:
(2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide | Capped Tripeptide Analog 3 | H-N-Me-Ala-Tle-Pro-(S)-tetrahydronaphth-1-yl Amide
Type:
Small organic molecule
Emp. Form.:
C25H38N4O3
Mol. Mass.:
442.5942
SMILES:
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCc2ccccc12)C(C)(C)C |r|
Structure:
Search PDB for entries with ligand similarity: