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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 394.4
BDBM50479034

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


(Homo sapiens (Human))
BDBM50479034
PNG
(CHEMBL515482)
Show SMILES CC(=O)c1cc(OCCc2ccccc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C23H26N2O4/c1-16(26)18-15-21(29-14-11-17-7-3-2-4-8-17)23(28)25-19(18)9-10-20(25)22(27)24-12-5-6-13-24/h2-4,7-8,15,20H,5-6,9-14H2,1H3/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant POP expressed in sEscherichia coli


Bioorg Med Chem Lett 18: 4360-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.067
BindingDB Entry DOI: 10.7270/Q20K2CCQ
More data for this
Ligand-Target Pair