Reaction Details Report a problem with these data
Target
Prolyl endopeptidase
Ligand
BDBM50051491
Substrate
n/a
Meas. Tech.
ChEMBL_158381 (CHEMBL769582)
IC50
11±n/a nM
Citation
 Portevin, B; Benoist, A; Rémond, G; Hervé, Y; Vincent, M; Lepagnol, J; De Nanteuil, G New prolyl endopeptidase inhibitors: in vitro and in vivo activities of azabicyclo[2.2.2]octane, azabicyclo[2.2.1]heptane, and perhydroindole derivatives. J Med Chem 39:2379-91 (1996) [PubMed]  Article 
Target
Name:
Prolyl endopeptidase
Synonyms:
PPCE_RAT | Prep
Type:
PROTEIN
Mol. Mass.:
80731.99
Organism:
Rattus norvegicus
Description:
ChEMBL_1336163
Residue:
710
Sequence:
MLSFQYPDVYRDETSVQDYHGHKICDPYAWLEDPDSEQTKAFVEAQNKITVPFLEQCPIRGLYKERMTELYDYPKYSCHFKKGKRYFYFYNTGLQNQRVLYVQDSLEGEARVFLDPNTLSDDGTVALRGYAFSEDGEYFAYGLSASGSDWVTIKFMKVDGAKELPDVLERVKFTCMAWTHDGKGMFYNSYPQQDGKSDGTETSTNLHQKLCYHVLGTDQSEDVLCAEFPDEPKWMGGAELSDDGRYVLLSIWEGCDPVNRLWYCDLQQGSNGINGILKWVKLIDNFEGEYDYITNEGTVFTFKTNRNSPNYRLINIDFTDPDESKWKVLVPEHEKDVLEWVACVRSNFLVLCYLRNVKNILQLHDLTTGALLKTFPLDVGSVVGYSGRKKDSEIFYQFTSFLSPGVIYHCDLTREELEPRVFREVTVKGIDASDYQTIQVFYPSKDGTKIPMFIVHKKGIKLDGSHPAFLYGYGGFNISITPNYSVSRLIFVRHMGGVLAVANIRGGGEYGETWHKGGILANKQNCFDDFQCAAEYLIKEGYTTSKRLTINGGSNGGLLVAACANQRPDLFGCVIAQVGVMDMLKFHKFTIGHAWTTDYGCSDSKQHFEWLLKYSPLHNVKLPEADDIQYPSMLLLTADHDDRVVPLHSLKFIATLQYIVGRSRKQSNPLLIHVDTKAGHGPGKPTAKVIEEVSDMFAFIARCLNIEWIQ
  
Inhibitor
Name:
BDBM50051491
Synonyms:
CHEMBL77149 | [(2S,3aS,7aS)-2-(3-Hydroxy-pyrrolidine-1-carbonyl)-octahydro-indol-1-yl]-((1R,2S)-2-phenyl-cyclopropyl)-methanone
Type:
Small organic molecule
Emp. Form.:
C23H30N2O3
Mol. Mass.:
382.4959
SMILES:
OC1CCN(C1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1c1ccccc1
Structure:
Search PDB for entries with ligand similarity: