Reaction Details Report a problem with these data
Target
Prolyl endopeptidase
Ligand
BDBM50170714
Substrate
n/a
Meas. Tech.
ChEMBL_306908 (CHEMBL828351)
pH
7±n/a
IC50
23±n/a nM
Comments
extracted
Citation
 Jarho, EM; Wallén, EA; Christiaans, JA; Forsberg, MM; Venäläinen, JI; Männistö, PT; Gynther, J; Poso, A Dicarboxylic acid azacycle l-prolyl-pyrrolidine amides as prolyl oligopeptidase inhibitors and three-dimensional quantitative structure-activity relationship of the enzyme-inhibitor interactions. J Med Chem 48:4772-82 (2005) [PubMed]  Article 
Target
Name:
Prolyl endopeptidase
Synonyms:
3.4.21.26 | PE | PPCE_PIG | PREP | Post-proline cleaving enzyme
Type:
n/a
Mol. Mass.:
80758.04
Organism:
Sus scrofa
Description:
n/a
Residue:
710
Sequence:
MLSFQYPDVYRDETAIQDYHGHKVCDPYAWLEDPDSEQTKAFVEAQNKITVPFLEQCPIRGLYKERMTELYDYPKYSCHFKKGKRYFYFYNTGLQNQRVLYVQDSLEGEARVFLDPNILSDDGTVALRGYAFSEDGEYFAYGLSASGSDWVTIKFMKVDGAKELPDVLERVKFSCMAWTHDGKGMFYNAYPQQDGKSDGTETSTNLHQKLYYHVLGTDQSEDILCAEFPDEPKWMGGAELSDDGRYVLLSIREGCDPVNRLWYCDLQQESNGITGILKWVKLIDNFEGEYDYVTNEGTVFTFKTNRHSPNYRLINIDFTDPEESKWKVLVPEHEKDVLEWVACVRSNFLVLCYLHDVKNTLQLHDLATGALLKIFPLEVGSVVGYSGQKKDTEIFYQFTSFLSPGIIYHCDLTKEELEPRVFREVTVKGIDASDYQTVQIFYPSKDGTKIPMFIVHKKGIKLDGSHPAFLYGYGGFNISITPNYSVSRLIFVRHMGGVLAVANIRGGGEYGETWHKGGILANKQNCFDDFQCAAEYLIKEGYTSPKRLTINGGSNGGLLVATCANQRPDLFGCVIAQVGVMDMLKFHKYTIGHAWTTDYGCSDSKQHFEWLIKYSPLHNVKLPEADDIQYPSMLLLTADHDDRVVPLHSLKFIATLQYIVGRSRKQNNPLLIHVDTKAGHGAGKPTAKVIEEVSDMFAFIARCLNIDWIP
  
Inhibitor
Name:
BDBM50170714
Synonyms:
CHEMBL188259 | [(S)-2-(Azepane-1-carbonyl)-pyrrolidin-1-yl]-{3-[(S)-2-(pyrrolidine-1-carbonyl)-pyrrolidine-1-carbonyl]-phenyl}-methanone
Type:
Small organic molecule
Emp. Form.:
C28H38N4O4
Mol. Mass.:
494.6257
SMILES:
O=C([C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCCCC1)N1CCCC1
Structure:
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