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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prolyl endopeptidase' and Ligand = 'BDBM50038878'   
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))
BDBM50038878
PNG
(1-[(R)-4-(Pyrrolidine-1-carbonyl)-thiazolidin-3-yl...)
Show SMILES O=C(CC1CCCc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C21H28N2O2S/c24-20(13-16-6-5-9-17-7-1-2-8-18(17)12-16)23-15-26-14-19(23)21(25)22-10-3-4-11-22/h1-2,7-8,16,19H,3-6,9-15H2/t16?,19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 150n/an/an/an/an/an/a



Zeria Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.


J Med Chem 37: 2071-8 (1994)


BindingDB Entry DOI: 10.7270/Q270822J
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50038878
PNG
(1-[(R)-4-(Pyrrolidine-1-carbonyl)-thiazolidin-3-yl...)
Show SMILES O=C(CC1CCCc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C21H28N2O2S/c24-20(13-16-6-5-9-17-7-1-2-8-18(17)12-16)23-15-26-14-19(23)21(25)22-10-3-4-11-22/h1-2,7-8,16,19H,3-6,9-15H2/t16?,19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 150n/an/an/an/an/an/a



Zeria Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.


J Med Chem 37: 2071-8 (1994)


BindingDB Entry DOI: 10.7270/Q270822J
More data for this
Ligand-Target Pair