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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 411.4
BDBM50134172

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prolyl endopeptidase


(Sus scrofa)
BDBM50134172
PNG
(1-((R)-1-{3-[(S)-2-(Pyrrolidine-1-carbonyl)-pyrrol...)
Show SMILES CC(=O)[C@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C23H29N3O4/c1-16(27)19-9-5-13-25(19)21(28)17-7-4-8-18(15-17)22(29)26-14-6-10-20(26)23(30)24-11-2-3-12-24/h4,7-8,15,19-20H,2-3,5-6,9-14H2,1H3/t19-,20+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 65n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
In vitro inhibition of prolyl oligopeptidase (POP) from pig brain


J Med Chem 46: 4543-51 (2003)


Article DOI: 10.1021/jm030811o
BindingDB Entry DOI: 10.7270/Q2H70F6R
More data for this
Ligand-Target Pair