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Compile Data Set for Download or QSAR

Found 796 hits of ic50 for UniProtKB: P48147   
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


(Homo sapiens (Human))		BDBM554513
PNG
((5RS)-2-(4-Methylbenzyl)-3-oxo-5-(pyrrolidin-1-ylc...)
Show SMILES Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C(=O)NCC(F)(F)F)cc1
PDB

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n/an/a 0.160n/an/an/an/an/an/a


TBA

Assay Description
To recombinant full-length human prolyl endopeptidase (PREP, R&D-Systems, 4308-SE; final concentration, for example, 0.4 nM, volume: 25 al) in reacti...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28P63RC
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM554510
PNG
((5RS)-7-(Cyclopropylcarbonyl)-2-(4-methylbenzyl)-5...)
Show SMILES Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C(=O)C2CC2)cc1
PDB

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n/an/a 0.170n/an/an/an/an/an/a


TBA

Assay Description
To recombinant full-length human prolyl endopeptidase (PREP, R&D-Systems, 4308-SE; final concentration, for example, 0.4 nM, volume: 25 al) in reacti...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28P63RC
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM554533
PNG
((5RS)-2-[(5-Chloropyridin-3-yl)methyl]-5-{[(3S)-3-...)
Show SMILES CN1CC(C(=O)N2CC[C@H](F)C2)n2c(C1)nn(Cc1cncc(Cl)c1)c2=O |r|
PDB

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n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
To recombinant full-length human prolyl endopeptidase (PREP, R&D-Systems, 4308-SE; final concentration, for example, 0.4 nM, volume: 25 al) in reacti...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28P63RC
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM554514
PNG
((5RS)-7-Methyl-2-(4-methylbenzyl)-5-(pyrrolidin-1-...)
Show SMILES CN1CC(C(=O)N2CCCC2)n2c(C1)nn(Cc1ccc(C)cc1)c2=O
PDB

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n/an/a 0.220n/an/an/an/an/an/a


TBA

Assay Description
To recombinant full-length human prolyl endopeptidase (PREP, R&D-Systems, 4308-SE; final concentration, for example, 0.4 nM, volume: 25 al) in reacti...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28P63RC
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM554517
PNG
((5RS)—N-Cyclopropyl-2-(4-methylbenzyl)-3-oxo-...)
Show SMILES Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C(=O)NC2CC2)cc1
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n/an/a 0.325n/an/an/an/an/an/a


TBA

Assay Description
To recombinant full-length human prolyl endopeptidase (PREP, R&D-Systems, 4308-SE; final concentration, for example, 0.4 nM, volume: 25 al) in reacti...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28P63RC
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM554517
PNG
((5RS)—N-Cyclopropyl-2-(4-methylbenzyl)-3-oxo-...)
Show SMILES Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C(=O)NC2CC2)cc1
PDB

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n/an/a 0.350n/an/an/an/an/an/a


TBA

Assay Description
To recombinant full-length human prolyl endopeptidase (PREP, R&D-Systems, 4308-SE; final concentration, for example, 0.4 nM, volume: 25 al) in reacti...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28P63RC
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM554514
PNG
((5RS)-7-Methyl-2-(4-methylbenzyl)-5-(pyrrolidin-1-...)
Show SMILES CN1CC(C(=O)N2CCCC2)n2c(C1)nn(Cc1ccc(C)cc1)c2=O
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n/an/a 0.370n/an/an/an/an/an/a


TBA

Assay Description
To recombinant full-length human prolyl endopeptidase (PREP, R&D-Systems, 4308-SE; final concentration, for example, 0.4 nM, volume: 25 al) in reacti...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28P63RC
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50038898
PNG
((S)-1-((S)-1-(2-(2,3-dihydro-1H-inden-2-yl)acetyl)...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC1Cc2ccccc2C1
Show InChI InChI=1S/C21H26N2O3/c24-14-18-7-3-9-22(18)21(26)19-8-4-10-23(19)20(25)13-15-11-16-5-1-2-6-17(16)12-15/h1-2,5-6,14-15,18-19H,3-4,7-13H2/t18-,19-/m0/s1
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n/an/a 0.420n/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))		BDBM50038897
PNG
((S)-1-[(S)-1-((S)-2-1,2,3,4-Tetrahydro-naphthalen-...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)C[C@H]1CCc2ccccc2C1
Show InChI InChI=1S/C22H28N2O3/c25-15-19-7-3-11-23(19)22(27)20-8-4-12-24(20)21(26)14-16-9-10-17-5-1-2-6-18(17)13-16/h1-2,5-6,15-16,19-20H,3-4,7-14H2/t16-,19-,20-/m0/s1
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n/an/a 0.450n/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))		BDBM50038899
PNG
((S)-1-[(R)-3-((S)-2-1,2,3,4-Tetrahydro-naphthalen-...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CSCN1C(=O)C[C@H]1CCc2ccccc2C1
Show InChI InChI=1S/C21H26N2O3S/c24-12-18-6-3-9-22(18)21(26)19-13-27-14-23(19)20(25)11-15-7-8-16-4-1-2-5-17(16)10-15/h1-2,4-5,12,15,18-19H,3,6-11,13-14H2/t15-,18-,19-/m0/s1
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n/an/a 0.460n/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))		BDBM50284618
PNG
(4-(4-Formyl-thiazolidine-3-carbonyl)-thiazolidine-...)
Show SMILES O=CC1CSCN1C(=O)C1CSCN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C16H18N2O4S2/c19-6-13-8-23-10-17(13)15(20)14-9-24-11-18(14)16(21)22-7-12-4-2-1-3-5-12/h1-6,13-14H,7-11H2
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n/an/a 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of prolyl endopeptidase (PEP) purified from human peripheral blood mononuclear cells

Bioorg Med Chem Lett 5: 1265-1270 (1995)


Article DOI: 10.1016/0960-894X(95)00206-9
BindingDB Entry DOI: 10.7270/Q2N016F6
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM554501
PNG
(US11337973, Example 5 | tert-Butyl (5RS)-5-{[(3S)-...)
Show SMILES CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@H](F)C2)n2c(C1)nn(Cc1ccc(F)c(c1)C(F)(F)F)c2=O |r|
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n/an/a 0.510n/an/an/an/an/an/a


TBA

Assay Description
To recombinant full-length human prolyl endopeptidase (PREP, R&D-Systems, 4308-SE; final concentration, for example, 0.4 nM, volume: 25 al) in reacti...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28P63RC
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50038891
PNG
((S)-1-[(S)-1-((S)-2-1,2,3,4-Tetrahydro-naphthalen-...)
Show SMILES O=C(C[C@H]1CCc2ccccc2C1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C22H27N3O2/c23-15-19-7-3-11-24(19)22(27)20-8-4-12-25(20)21(26)14-16-9-10-17-5-1-2-6-18(17)13-16/h1-2,5-6,16,19-20H,3-4,7-14H2/t16-,19-,20-/m0/s1
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n/an/a 0.520n/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))		BDBM50038893
PNG
((S)-1-[(R)-3-((S)-2-1,2,3,4-Tetrahydro-naphthalen-...)
Show SMILES O=C(C[C@H]1CCc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C21H25N3O2S/c22-12-18-6-3-9-23(18)21(26)19-13-27-14-24(19)20(25)11-15-7-8-16-4-1-2-5-17(16)10-15/h1-2,4-5,15,18-19H,3,6-11,13-14H2/t15-,18-,19-/m0/s1
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n/an/a 0.550n/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))		BDBM554520
PNG
((5RS)-2-(4-Methylbenzyl)-3-oxo-5-(pyrrolidin-1-ylc...)
Show SMILES Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C(=O)Nc2ccc(cc2)C(F)(F)F)cc1
PDB

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n/an/a 0.660n/an/an/an/an/an/a


TBA

Assay Description
To recombinant full-length human prolyl endopeptidase (PREP, R&D-Systems, 4308-SE; final concentration, for example, 0.4 nM, volume: 25 al) in reacti...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28P63RC
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM554502
PNG
((5RS)-5-{[(3S)-3-Fluoropyrrolidin-1-yl]carbonyl}-2...)
Show SMILES F[C@H]1CCN(C1)C(=O)C1CNCc2nn(Cc3ccc(F)c(c3)C(F)(F)F)c(=O)n12 |r|
PDB

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n/an/a 0.670n/an/an/an/an/an/a


TBA

Assay Description
To recombinant full-length human prolyl endopeptidase (PREP, R&D-Systems, 4308-SE; final concentration, for example, 0.4 nM, volume: 25 al) in reacti...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28P63RC
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM554521
PNG
((5RS)-2-{[3-Chloro-4-(trifluoromethyl)pyridin-2-yl...)
Show SMILES F[C@H]1CCN(C1)C(=O)C1CN(CC(F)(F)F)Cc2nn(Cc3nccc(c3Cl)C(F)(F)F)c(=O)n12 |r|
PDB

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n/an/a 0.730n/an/an/an/an/an/a


TBA

Assay Description
To recombinant full-length human prolyl endopeptidase (PREP, R&D-Systems, 4308-SE; final concentration, for example, 0.4 nM, volume: 25 al) in reacti...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28P63RC
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50038868
PNG
((R)-3-[(R)-3-((S)-2-1,2,3,4-Tetrahydro-naphthalen-...)
Show SMILES O=C[C@@H]1CSCN1C(=O)[C@@H]1CSCN1C(=O)C[C@H]1CCc2ccccc2C1
Show InChI InChI=1S/C20H24N2O3S2/c23-9-17-10-26-12-21(17)20(25)18-11-27-13-22(18)19(24)8-14-5-6-15-3-1-2-4-16(15)7-14/h1-4,9,14,17-18H,5-8,10-13H2/t14-,17+,18-/m0/s1
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n/an/a 0.850n/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))		BDBM554510
PNG
((5RS)-7-(Cyclopropylcarbonyl)-2-(4-methylbenzyl)-5...)
Show SMILES Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C(=O)C2CC2)cc1
PDB

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n/an/a 0.870n/an/an/an/an/an/a


TBA

Assay Description
To recombinant full-length human prolyl endopeptidase (PREP, R&D-Systems, 4308-SE; final concentration, for example, 0.4 nM, volume: 25 al) in reacti...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28P63RC
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM554522
PNG
((5RS)—N-(3,4-Dichlorophenyl)-2-(4-methylbenzy...)
Show SMILES Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
PDB

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n/an/a 0.870n/an/an/an/an/an/a


TBA

Assay Description
To recombinant full-length human prolyl endopeptidase (PREP, R&D-Systems, 4308-SE; final concentration, for example, 0.4 nM, volume: 25 al) in reacti...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28P63RC
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM554507
PNG
((5RS)-5-{[(3S)-3-Fluoropyrrolidin-1-yl]carbonyl}-7...)
Show SMILES CN1CC(C(=O)N2CC[C@H](F)C2)n2c(C1)nn(Cc1ccc(C)cc1)c2=O |r|
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n/an/a 0.935n/an/an/an/an/an/a


TBA

Assay Description
To recombinant full-length human prolyl endopeptidase (PREP, R&D-Systems, 4308-SE; final concentration, for example, 0.4 nM, volume: 25 al) in reacti...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28P63RC
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM554497
PNG
(US11337973, Example 1 | tert-Butyl (5RS)-2-(4-meth...)
Show SMILES Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C(=O)OC(C)(C)C)cc1
PDB

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n/an/a 0.970n/an/an/an/an/an/a


TBA

Assay Description
To recombinant full-length human prolyl endopeptidase (PREP, R&D-Systems, 4308-SE; final concentration, for example, 0.4 nM, volume: 25 al) in reacti...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28P63RC
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50557433
PNG
(CHEMBL4746891)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(CSc2ccc(Cl)c(Cl)c2)n1 |r|
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PREP (unknown origin) using AMC substrate by fluorometric assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50038876
PNG
((S)-1-[(R)-3-(2-Indan-2-yl-acetyl)-thiazolidine-4-...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CSCN1C(=O)CC1Cc2ccccc2C1
Show InChI InChI=1S/C20H24N2O3S/c23-11-17-6-3-7-21(17)20(25)18-12-26-13-22(18)19(24)10-14-8-15-4-1-2-5-16(15)9-14/h1-2,4-5,11,14,17-18H,3,6-10,12-13H2/t17-,18-/m0/s1
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n/an/a 1n/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))		BDBM50557417
PNG
(CHEMBL4762591)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccc(Cl)cc2Cl)n1 |r|
PDB

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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PREP (unknown origin) using AMC substrate by fluorometric assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50557413
PNG
(CHEMBL4758377)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1csc(Cc2ccccc2I)n1 |r|
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PREP (unknown origin) using AMC substrate by fluorometric assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127846
BindingDB Entry DOI: 10.7270/Q2PN999J
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50038885
PNG
((S)-1-[(R)-3-(2-Indan-2-yl-acetyl)-thiazolidine-4-...)
Show SMILES O=C(CC1Cc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H23N3O2S/c21-11-17-6-3-7-22(17)20(25)18-12-26-13-23(18)19(24)10-14-8-15-4-1-2-5-16(15)9-14/h1-2,4-5,14,17-18H,3,6-10,12-13H2/t17-,18-/m0/s1
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n/an/a 1.10n/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))		BDBM50038879
PNG
((S)-2-(2-Formyl-pyrrolidine-1-carbonyl)-pyrrolidin...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
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 1.10n/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		3D
3D Structure (crystal)
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM554533
PNG
((5RS)-2-[(5-Chloropyridin-3-yl)methyl]-5-{[(3S)-3-...)
Show SMILES CN1CC(C(=O)N2CC[C@H](F)C2)n2c(C1)nn(Cc1cncc(Cl)c1)c2=O |r|
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TBA

Assay Description
To recombinant full-length human prolyl endopeptidase (PREP, R&D-Systems, 4308-SE; final concentration, for example, 0.4 nM, volume: 25 al) in reacti...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28P63RC
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50038889
PNG
((S)-1-((S)-1-(2-(2,3-dihydro-1H-inden-2-yl)acetyl)...)
Show SMILES O=C(CC1Cc2ccccc2C1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C21H25N3O2/c22-14-18-7-3-9-23(18)21(26)19-8-4-10-24(19)20(25)13-15-11-16-5-1-2-6-17(16)12-15/h1-2,5-6,15,18-19H,3-4,7-13H2/t18-,19-/m0/s1
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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))		BDBM554505
PNG
(US11337973, Example 9 | tert-Butyl (5RS)-5-{[(3S)-...)
Show SMILES Cc1ccc(Cn2nc3CN(CC(C(=O)N4CC[C@H](F)C4)n3c2=O)C(=O)OC(C)(C)C)cc1 |r|
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n/an/a 1.27n/an/an/an/an/an/a


TBA

Assay Description
To recombinant full-length human prolyl endopeptidase (PREP, R&D-Systems, 4308-SE; final concentration, for example, 0.4 nM, volume: 25 al) in reacti...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28P63RC
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50508983
PNG
(CHEMBL4464623)
Show SMILES CC(C)[C@H](NC(=O)c1ccncc1)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C15H22BN3O4/c1-10(2)13(18-14(20)11-5-7-17-8-6-11)15(21)19-9-3-4-12(19)16(22)23/h5-8,10,12-13,22-23H,3-4,9H2,1-2H3,(H,18,20)/t12-,13-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of POP (unknown origin)

J Med Chem 62: 7874-7884 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00642
BindingDB Entry DOI: 10.7270/Q2FB5682
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50431227
PNG
(CHEMBL2333024)
Show SMILES CC(C)[C@H](NC(=O)c1cccnc1)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C15H22BN3O4/c1-10(2)13(18-14(20)11-5-3-7-17-9-11)15(21)19-8-4-6-12(19)16(22)23/h3,5,7,9-10,12-13,22-23H,4,6,8H2,1-2H3,(H,18,20)/t12-,13-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human PREP using Z-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay

J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM554507
PNG
((5RS)-5-{[(3S)-3-Fluoropyrrolidin-1-yl]carbonyl}-7...)
Show SMILES CN1CC(C(=O)N2CC[C@H](F)C2)n2c(C1)nn(Cc1ccc(C)cc1)c2=O |r|
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TBA

Assay Description
To recombinant full-length human prolyl endopeptidase (PREP, R&D-Systems, 4308-SE; final concentration, for example, 0.4 nM, volume: 25 al) in reacti...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28P63RC
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM554523
PNG
((5RS)—N-(2,2-Difluoroethyl)-2-(4-methylbenzyl...)
Show SMILES Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C(=O)NCC(F)F)cc1
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n/an/a 1.70n/an/an/an/an/an/a


TBA

Assay Description
To recombinant full-length human prolyl endopeptidase (PREP, R&D-Systems, 4308-SE; final concentration, for example, 0.4 nM, volume: 25 al) in reacti...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28P63RC
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50431228
PNG
(CHEMBL2333023)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccnc1 |r|
Show InChI InChI=1S/C12H16BN3O4/c17-11(16-6-2-4-10(16)13(19)20)8-15-12(18)9-3-1-5-14-7-9/h1,3,5,7,10,19-20H,2,4,6,8H2,(H,15,18)/t10-/m0/s1
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Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human PREP using Z-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay

J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50326373
PNG
((R)-1-(2-(1-naphthamido)acetyl)pyrrolidin-2-ylboro...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C17H19BN2O4/c21-16(20-10-4-9-15(20)18(23)24)11-19-17(22)14-8-3-6-12-5-1-2-7-13(12)14/h1-3,5-8,15,23-24H,4,9-11H2,(H,19,22)/t15-/m0/s1
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Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human PREP using Z-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay

J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
More data for this
Ligand-Target Pair
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
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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
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50316818
PNG
(((2S,3aS,7aS)-1-((1R,2R)-2-phenylcyclopropanecarbo...)
Show SMILES O=C([C@@H]1C[C@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCSC1 |r|
Show InChI InChI=1S/C22H28N2O2S/c25-21(18-13-17(18)15-6-2-1-3-7-15)24-19-9-5-4-8-16(19)12-20(24)22(26)23-10-11-27-14-23/h1-3,6-7,16-20H,4-5,8-14H2/t16-,17-,18+,19-,20-/m0/s1
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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
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM554524
PNG
((5RS)—N-tert-Butyl-2-(4-methylbenzyl)-3-oxo-5...)
Show SMILES Cc1ccc(Cn2nc3CN(CC(C(=O)N4CCCC4)n3c2=O)C(=O)NC(C)(C)C)cc1
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TBA

Assay Description
To recombinant full-length human prolyl endopeptidase (PREP, R&D-Systems, 4308-SE; final concentration, for example, 0.4 nM, volume: 25 al) in reacti...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28P63RC
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50038864
PNG
(2-(S)-1,2,3,4-Tetrahydro-naphthalen-2-yl-1-[(R)-4-...)
Show SMILES O=C(C[C@H]1CCc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCSC1
Show InChI InChI=1S/C19H24N2O2S2/c22-18(10-14-5-6-15-3-1-2-4-16(15)9-14)21-13-25-11-17(21)19(23)20-7-8-24-12-20/h1-4,14,17H,5-13H2/t14-,17-/m0/s1
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n/an/a 2.30n/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))		BDBM554525
PNG
((5RS)-2-{[3-Chloro-4-(trifluoromethyl)pyridin-2-yl...)
Show SMILES CC(C)CN1CC(C(=O)N2CC[C@H](F)C2)n2c(C1)nn(Cc1nccc(c1Cl)C(F)(F)F)c2=O |r|
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n/an/a 2.40n/an/an/an/an/an/a


TBA

Assay Description
To recombinant full-length human prolyl endopeptidase (PREP, R&D-Systems, 4308-SE; final concentration, for example, 0.4 nM, volume: 25 al) in reacti...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28P63RC
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50038879
PNG
((S)-2-(2-Formyl-pyrrolidine-1-carbonyl)-pyrrolidin...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
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 2.80n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibition of POP (unknown origin) using (Z)-Gly-Pro-p-nitroanilide as substrate preincubated for 5 mins followed by substrate addition and measured ...

J Nat Prod 82: 239-248 (2019)


Article DOI: 10.1021/acs.jnatprod.8b00592
BindingDB Entry DOI: 10.7270/Q2NZ8BXF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM554526
PNG
((5RS)-7-Isobutyl-2-(4-methylbenzyl)-5-(pyrrolidin-...)
Show SMILES CC(C)CN1CC(C(=O)N2CCCC2)n2c(C1)nn(Cc1ccc(C)cc1)c2=O
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n/an/a 2.80n/an/an/an/an/an/a


TBA

Assay Description
To recombinant full-length human prolyl endopeptidase (PREP, R&D-Systems, 4308-SE; final concentration, for example, 0.4 nM, volume: 25 al) in reacti...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28P63RC
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50312221
PNG
(CHEMBL1079410 | N-Benzyloxycarbonylamino-L-alanine...)
Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C16H19N3O3/c1-12(15(20)19-9-5-8-14(19)10-17)18-16(21)22-11-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-9,11H2,1H3,(H,18,21)/t12-,14-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of prolyl oligopeptidase in human LN229 cell extracts assessed as blockade of Z-Gly-Pro-AMC substrate hydrolysis by fluorimetric assay

J Med Chem 52: 6672-84 (2009)


Article DOI: 10.1021/jm901013a
BindingDB Entry DOI: 10.7270/Q2571C5R
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50479006
PNG
(CHEMBL476508)
Show SMILES CC(=O)c1cc(OCCc2ccc(F)cc2)c(=O)n2[C@@H](CCc12)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C23H25FN2O4/c1-15(27)18-14-21(30-13-10-16-4-6-17(24)7-5-16)23(29)26-19(18)8-9-20(26)22(28)25-11-2-3-12-25/h4-7,14,20H,2-3,8-13H2,1H3/t20-/m0/s1
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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
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM554506
PNG
((5RS)-5-{[(3S)-3-Fluoropyrrolidin-1-yl]carbonyl}-2...)
Show SMILES Cc1ccc(Cn2nc3CNCC(C(=O)N4CC[C@H](F)C4)n3c2=O)cc1 |r|
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TBA

Assay Description
To recombinant full-length human prolyl endopeptidase (PREP, R&D-Systems, 4308-SE; final concentration, for example, 0.4 nM, volume: 25 al) in reacti...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28P63RC
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM554498
PNG
((5RS)-2-(4-Methylbenzyl)-5-(pyrrolidin-1-ylcarbony...)
Show SMILES Cc1ccc(Cn2nc3CNCC(C(=O)N4CCCC4)n3c2=O)cc1
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n/an/a 3.05n/an/an/an/an/an/a


TBA

Assay Description
To recombinant full-length human prolyl endopeptidase (PREP, R&D-Systems, 4308-SE; final concentration, for example, 0.4 nM, volume: 25 al) in reacti...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28P63RC
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50038887
PNG
(2-(S)-1,2,3,4-Tetrahydro-naphthalen-2-yl-1-[(R)-2-...)
Show SMILES O=C(C[C@H]1CCc2ccccc2C1)N1CCC[C@@H]1C(=O)N1CCSC1
Show InChI InChI=1S/C20H26N2O2S/c23-19(13-15-7-8-16-4-1-2-5-17(16)12-15)22-9-3-6-18(22)20(24)21-10-11-25-14-21/h1-2,4-5,15,18H,3,6-14H2/t15-,18+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3.40n/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))		BDBM554502
PNG
((5RS)-5-{[(3S)-3-Fluoropyrrolidin-1-yl]carbonyl}-2...)
Show SMILES F[C@H]1CCN(C1)C(=O)C1CNCc2nn(Cc3ccc(F)c(c3)C(F)(F)F)c(=O)n12 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.5n/an/an/an/an/an/a


TBA

Assay Description
To recombinant full-length human prolyl endopeptidase (PREP, R&D-Systems, 4308-SE; final concentration, for example, 0.4 nM, volume: 25 al) in reacti...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28P63RC
More data for this
Ligand-Target Pair
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