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There are 7 purchasable compounds for target: PE

Wt: 330.3
BDBM50038879
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Wt: 440.3
BDBM50005872
Purchase
Wt: 268.3
BDBM50051547
Purchase
Wt: 272.3
BDBM50118914
Purchase
Wt: 339.4
BDBM50155838
Purchase
Wt: 302.3
BDBM50316820
Purchase
Wt: 300.4
BDBM50316838
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50038879,50005872,50051547,50118914,50155838,50316820,50316838   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prolyl endopeptidase


(Sus scrofa)
BDBM50155838
PNG
((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...)
Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1
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0.0200n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory activity against prolyl oligopeptidase of porcine brain homogenate


J Med Chem 47: 5605-7 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prolyl endopeptidase


(Sus scrofa)
BDBM50155838
PNG
((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...)
Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1
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0.0230n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of pig POP


J Med Chem 53: 3423-38 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prolyl endopeptidase


(Sus scrofa)
BDBM50155838
PNG
((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...)
Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of porcine prolyl oligopeptidase using Z-Gly-Pro-AMC as substrate after 60 mins by double-reciprocal plot analysis


Eur J Med Chem 79: 436-45 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prolyl endopeptidase


(Bos taurus)
BDBM50038879
PNG
((S)-2-(2-Formyl-pyrrolidine-1-carbonyl)-pyrrolidin...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1
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0.210n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain POP


J Med Chem 53: 3423-38 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prolyl endopeptidase


(Mus musculus)
BDBM50038879
PNG
((S)-2-(2-Formyl-pyrrolidine-1-carbonyl)-pyrrolidin...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1
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0.350n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of mouse brain POP


J Med Chem 53: 3423-38 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prolyl endopeptidase


(Bos taurus)
BDBM50038879
PNG
((S)-2-(2-Formyl-pyrrolidine-1-carbonyl)-pyrrolidin...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1
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0.350n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of POP in bovine serum using Z-Gly-Pro-NH-Mec fluorimetric substrate


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prolyl endopeptidase


(Sus scrofa)
BDBM50005872
PNG
(CHEMBL3236272)
Show SMILES Ic1ccc(CCCC(=O)N2CCC[C@H]2C(=O)N2CCCC2)cc1
Show InChI InChI=1S/C19H25IN2O2/c20-16-10-8-15(9-11-16)5-3-7-18(23)22-14-4-6-17(22)19(24)21-12-1-2-13-21/h8-11,17H,1-7,12-14H2/t17-/m0/s1
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22n/an/an/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of porcine prolyl oligopeptidase using Z-Gly-Pro-AMC as substrate after 60 mins by double-reciprocal plot analysis


Eur J Med Chem 79: 436-45 (2014)

More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Bos taurus)
BDBM50316820
PNG
((S)-benzyl 2-(pyrrolidine-1-carbonyl)pyrrolidine-1...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C17H22N2O3/c20-16(18-10-4-5-11-18)15-9-6-12-19(15)17(21)22-13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2/t15-/m0/s1
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2.10E+3n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain POP


J Med Chem 53: 3423-38 (2010)

More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50051547
PNG
((S)-2-(Pyrrolidine-1-carbonyl)-pyrrolidine-1-carbo...)
Show SMILES CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)16-10-6-7-11(16)12(17)15-8-4-5-9-15/h11H,4-10H2,1-3H3/t11-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of pig brain POP


J Med Chem 53: 3423-38 (2010)

More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50155838
PNG
((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...)
Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prolyl endopeptidase


(Bos taurus)
BDBM50316838
PNG
((S)-4-phenyl-1-(2-(pyrrolidin-1-ylmethyl)pyrrolidi...)
Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1CN1CCCC1
Show InChI InChI=1S/C19H28N2O/c22-19(12-6-10-17-8-2-1-3-9-17)21-15-7-11-18(21)16-20-13-4-5-14-20/h1-3,8-9,18H,4-7,10-16H2/t18-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain POP


J Med Chem 53: 3423-38 (2010)

More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50118914
PNG
(CHEMBL343739 | Phenyl-[(S)-2-(pyrrolidine-1-carbon...)
Show SMILES O=C([C@@H]1CCCN1C(=O)c1ccccc1)N1CCCC1
Show InChI InChI=1S/C16H20N2O2/c19-15(13-7-2-1-3-8-13)18-12-6-9-14(18)16(20)17-10-4-5-11-17/h1-3,7-8,14H,4-6,9-12H2/t14-/m0/s1
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n/an/a 66n/an/an/an/a7.0n/a



University of Kuopio

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine prolyl oligopeptidase by using 4 mM Suc-Gly-Pro-7-amido-4-methylcoumarin as substrate (pH 7.0) at 30 deg...


J Med Chem 48: 4772-82 (2005)

More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50316820
PNG
((S)-benzyl 2-(pyrrolidine-1-carbonyl)pyrrolidine-1...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C17H22N2O3/c20-16(18-10-4-5-11-18)15-9-6-12-19(15)17(21)22-13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2/t15-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)

More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50038879
PNG
((S)-2-(2-Formyl-pyrrolidine-1-carbonyl)-pyrrolidin...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1
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n/an/a 0.330n/an/an/an/a7.0n/a



University of Kuopio

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine prolyl oligopeptidase by using 4 mM Suc-Gly-Pro-7-amido-4-methylcoumarin as substrate (pH 7.0) at 30 deg...


J Med Chem 48: 4772-82 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prolyl endopeptidase


(Sus scrofa)
BDBM50155838
PNG
((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...)
Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1
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n/an/a 0.220n/an/an/an/a7.0n/a



University of Kuopio

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine prolyl oligopeptidase by using 4 mM Suc-Gly-Pro-7-amido-4-methylcoumarin as substrate (pH 7.0) at 30 deg...


J Med Chem 48: 4772-82 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prolyl endopeptidase


(Sus scrofa)
BDBM50155838
PNG
((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...)
Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory activity against prolyl oligopeptidase of porcine brain homogenate


J Med Chem 47: 5605-7 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prolyl endopeptidase


(Sus scrofa)
BDBM50038879
PNG
((S)-2-(2-Formyl-pyrrolidine-1-carbonyl)-pyrrolidin...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1
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n/an/a 0.330n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prolyl oligopeptidase (POP) from pigbrain expressed


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prolyl endopeptidase


(Sus scrofa)
BDBM50118914
PNG
(CHEMBL343739 | Phenyl-[(S)-2-(pyrrolidine-1-carbon...)
Show SMILES O=C([C@@H]1CCCN1C(=O)c1ccccc1)N1CCCC1
Show InChI InChI=1S/C16H20N2O2/c19-15(13-7-2-1-3-8-13)18-12-6-9-14(18)16(20)17-10-4-5-11-17/h1-3,7-8,14H,4-6,9-12H2/t14-/m0/s1
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n/an/a 66n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prolyl oligopeptidase (POP) from pig brain ;value ranges from (38-110)


Citation and Details
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50051547
PNG
((S)-2-(Pyrrolidine-1-carbonyl)-pyrrolidine-1-carbo...)
Show SMILES CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)16-10-6-7-11(16)12(17)15-8-4-5-9-15/h11H,4-10H2,1-3H3/t11-/m0/s1
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n/an/a 29n/an/an/an/a7.0n/a



University of Kuopio

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine prolyl oligopeptidase by using 4 mM Suc-Gly-Pro-7-amido-4-methylcoumarin as substrate (pH 7.0) at 30 deg...


J Med Chem 48: 4772-82 (2005)

More data for this
Ligand-Target Pair