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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 378.8
BDBM50479032

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))
BDBM50479032
PNG
(CHEMBL478232)
Show SMILES Clc1cc(OCC2CCCCC2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C20H27ClN2O3/c21-15-12-18(26-13-14-6-2-1-3-7-14)20(25)23-16(15)8-9-17(23)19(24)22-10-4-5-11-22/h12,14,17H,1-11,13H2/t17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 70n/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