Reaction Details Report a problem with these data
Target
Prolyl endopeptidase
Ligand
BDBM50250726
Substrate
n/a
Meas. Tech.
ChEMBL_504462 (CHEMBL982337)
IC50
16900±n/a nM
Citation
 Ahmad, VU; Hussain, H; Jassbi, AR; Hussain, J; Bukhari, IA; Yasin, A; Aziz, N; Choudhary, MI New bioactive diterpene polyesters from Euphorbia decipiens. J Nat Prod 66:1221-4 (2003) [PubMed]  Article 
Target
Name:
Prolyl endopeptidase
Synonyms:
PPCE_ELIME | f1pep1
Type:
PROTEIN
Mol. Mass.:
78717.03
Organism:
Flavobacterium meningosepticum
Description:
ChEMBL_632273
Residue:
705
Sequence:
MKYNKLSVAVAAFAFAAVSAQNSNVLKYPETKKVSHTDTYFGTQVSDPYRWLEDDRAEDTKAWVQQEVKFTQDYLAQIPFRDQLKKQLMDIWNYEKISAPFKKGKYTYFSKNDGLQAQSVLYRKDAAGKTEVFLDPNKFSEKGTTSLASVSFNKKGTLVAYSISEGGSDWNKIIILDAETKKQLDETLLDVKFSGISWLGDEGFFYSSYDKPKEGSVLSGMTDKHKVYFHKLGTKQSQDELIIGGDKFPRRYIGAYVTDDQRYLVVSAANATNGNELYIKDLKNKTDFIPIITGFDSNVNVADTDGDTLYLFTDKDAPNKRLVKTTIQNPKAETWKDVIAETSEPLEINTGGGYFFATYMKDAIDQVKQYDKNGKLVRAIKLPGSGNASGFGGEKTEKDLYYSFTNYITPPTIFKYNVTTGNSEVYQKPKVKFNPENYVSEQVFYTSSDGTKIPMMISYKKGLKKDGKNPTILYSYGGFNISLQPAFSVVNAIWMENGGIYAVPNIRGGGEYGKKWHDAGTKMQKKNVFNDFIAAGEYLQKNGYTSKEYMALSGRSNGGLLVGATMTMRPDLAKVAFPGVGVLDMLRYNKFTAGAGWAYDYGTAEDSKEMFEYLKSYSPVHNVKAGTCYPSTMVITSDHDDRVVPAHSFKFGSELQAKQSCKNPILIRIETNAGHGAGRSTEQVVAENADLLSFALYEMGIKSLK
  
Inhibitor
Name:
BDBM50250726
Synonyms:
3,5,17-O-Triacetyl-7-O-benzoyl-15-hydroxycheiradone | CHEMBL507031
Type:
Small organic molecule
Emp. Form.:
C33H40O11
Mol. Mass.:
612.6641
SMILES:
C[C@H]1C[C@@]2(O)[C@H]([C@H]1OC(C)=O)[C@@H](OC(C)=O)[C@@]1(COC(C)=O)[C@H]3[C@H](C=C[C@H]1OC(=O)c1ccccc1)C(C)(C)O[C@]3(C)C2=O |r,c:25|
Structure:
Search PDB for entries with ligand similarity: