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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prolyl endopeptidase' and Ligand = 'BDBM50200729'   
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))
BDBM50200729
PNG
((R)-1-(2-(2,5-dichlorobenzamido)acetyl)pyrrolidin-...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C13H15BCl2N2O4/c15-8-3-4-10(16)9(6-8)13(20)17-7-12(19)18-5-1-2-11(18)14(21)22/h3-4,6,11,21-22H,1-2,5,7H2,(H,17,20)/t11-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.20n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant POP


J Med Chem 53: 3423-38 (2010)


Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50200729
PNG
((R)-1-(2-(2,5-dichlorobenzamido)acetyl)pyrrolidin-...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C13H15BCl2N2O4/c15-8-3-4-10(16)9(6-8)13(20)17-7-12(19)18-5-1-2-11(18)14(21)22/h3-4,6,11,21-22H,1-2,5,7H2,(H,17,20)/t11-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitory constant against POP


Bioorg Med Chem Lett 17: 1438-42 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.072
BindingDB Entry DOI: 10.7270/Q2VH5NH1
More data for this
Ligand-Target Pair