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PubMed code 26619267

Compile data set for download or QSAR
Found 29 hits of Enzyme Inhibition Constant Data   
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


(Rattus norvegicus)		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



McGill University

Curated by ChEMBL


Assay Description
Inhibition of POP in Han/Wistar rat brain using Suc-Gly-Pro-AMC substrate incubated for 60 mins

J Med Chem 59: 4221-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prolyl endopeptidase


(Sus scrofa)		BDBM50051495
PNG
((S)-2-[(S)-2-(2-Hydroxy-acetyl)-pyrrolidine-1-carb...)
Show SMILES OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H25N3O4/c23-13-17(24)15-8-4-10-21(15)18(25)16-9-5-11-22(16)19(26)20-12-14-6-2-1-3-7-14/h1-3,6-7,15-16,23H,4-5,8-13H2,(H,20,26)/t15-,16-/m0/s1
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 0.0600n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of poricne brain POP in expressed in Escherichia coli TOP10 competent cells pre-incubated for 2 hrs before Z-Gly-Pro-AMC substrate additio...

J Med Chem 59: 4221-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB
More data for this
Ligand-Target Pair
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 |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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 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

J Med Chem 59: 4221-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50180679
PNG
(CHEMBL3817958)
Show SMILES [H][C@]12CN(Cc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:19|
Show InChI InChI=1S/C21H23N3O2/c22-12-17-9-5-11-24(17)20(25)18-10-4-8-16-14-23(21(26)19(16)18)13-15-6-2-1-3-7-15/h1-4,6-8,16-19H,5,9-11,13-14H2/t16-,17-,18+,19-/m0/s1
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 0.75n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human POP by tight binding based Morrison equation analysis

J Med Chem 59: 4221-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		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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 0.920n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human POP by tight binding based Morrison equation analysis

J Med Chem 59: 4221-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prolyl endopeptidase


(Homo sapiens (Human))		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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 0.950n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human POP expressed in Escherichia coli BL21 pre-incubated for 30 mins before ZGP-pNA substrate addition

J Med Chem 59: 4221-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50180679
PNG
(CHEMBL3817958)
Show SMILES [H][C@]12CN(Cc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:19|
Show InChI InChI=1S/C21H23N3O2/c22-12-17-9-5-11-24(17)20(25)18-10-4-8-16-14-23(21(26)19(16)18)13-15-6-2-1-3-7-15/h1-4,6-8,16-19H,5,9-11,13-14H2/t16-,17-,18+,19-/m0/s1
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 1n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human POP expressed in Escherichia coli BL21 pre-incubated for 30 mins before ZGP-pNA substrate addition

J Med Chem 59: 4221-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB
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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 1.5n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human POP using Z-Gly-Pro-7-AMC substrate

J Med Chem 59: 4221-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50180664
PNG
(CHEMBL3818013)
Show SMILES [H][C@]12CN(OCc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:20|
Show InChI InChI=1S/C21H23N3O3/c22-12-17-9-5-11-23(17)20(25)18-10-4-8-16-13-24(21(26)19(16)18)27-14-15-6-2-1-3-7-15/h1-4,6-8,16-19H,5,9-11,13-14H2/t16-,17-,18+,19-/m0/s1
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 10n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human POP expressed in Escherichia coli BL21 pre-incubated for 30 mins before ZGP-pNA substrate addition

J Med Chem 59: 4221-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50393843
PNG
(CHEMBL2159748)
Show SMILES O=C(N1CCC[C@H]1C#N)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
Show InChI InChI=1S/C21H19N3O2/c22-12-17-9-5-11-24(17)20(25)18-10-4-8-16-14-23(21(26)19(16)18)13-15-6-2-1-3-7-15/h1-4,6-8,10,17H,5,9,11,13-14H2/t17-/m0/s1
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 23n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human POP expressed in Escherichia coli BL21 pre-incubated for 30 mins before ZGP-pNA substrate addition

J Med Chem 59: 4221-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50180669
PNG
(CHEMBL3818020)
Show SMILES [H][C@]12CN(Cc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCCC1 |r,c:19|
Show InChI InChI=1S/C20H24N2O2/c23-19(21-11-4-5-12-21)17-10-6-9-16-14-22(20(24)18(16)17)13-15-7-2-1-3-8-15/h1-3,6-9,16-18H,4-5,10-14H2/t16-,17+,18-/m0/s1
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 33n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human POP expressed in Escherichia coli BL21 pre-incubated for 30 mins before ZGP-pNA substrate addition

J Med Chem 59: 4221-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50180678
PNG
(CHEMBL3819136)
Show SMILES [H][C@]12CN(Cc3ccccc3)C(=O)[C@]1([H])[C@@H]([C@@H](C)C=C2)C(=O)N1CCC[C@H]1C#N |r,c:20|
Show InChI InChI=1S/C22H25N3O2/c1-15-9-10-17-14-24(13-16-6-3-2-4-7-16)21(26)20(17)19(15)22(27)25-11-5-8-18(25)12-23/h2-4,6-7,9-10,15,17-20H,5,8,11,13-14H2,1H3/t15-,17-,18-,19+,20-/m0/s1
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 46n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human POP expressed in Escherichia coli BL21 pre-incubated for 30 mins before ZGP-pNA substrate addition

J Med Chem 59: 4221-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50180668
PNG
(CHEMBL3819096)
Show SMILES [H][C@]12CN(Cc3ccccc3)C(=O)[C@]1([H])[C@@H]([C@@H](C)C=C2)C(=O)N1CCCC1 |r,c:20|
Show InChI InChI=1S/C21H26N2O2/c1-15-9-10-17-14-23(13-16-7-3-2-4-8-16)21(25)19(17)18(15)20(24)22-11-5-6-12-22/h2-4,7-10,15,17-19H,5-6,11-14H2,1H3/t15-,17-,18+,19-/m0/s1
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 1.00E+3n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human POP expressed in Escherichia coli BL21 pre-incubated for 30 mins before ZGP-pNA substrate addition

J Med Chem 59: 4221-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50180667
PNG
(CHEMBL3818815)
Show SMILES [H][C@]12CN(NC(=O)OCc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:23|
Show InChI InChI=1S/C22H24N4O4/c23-12-17-9-5-11-25(17)20(27)18-10-4-8-16-13-26(21(28)19(16)18)24-22(29)30-14-15-6-2-1-3-7-15/h1-4,6-8,16-19H,5,9-11,13-14H2,(H,24,29)/t16-,17-,18+,19-/m0/s1
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 1.50E+3n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human POP expressed in Escherichia coli BL21 pre-incubated for 30 mins before ZGP-pNA substrate addition

J Med Chem 59: 4221-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50180681
PNG
(CHEMBL3818902)
Show SMILES [H][C@@]12CN(Cc3ccccc3)C(=O)[C@@]1([H])[C@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:19|
Show InChI InChI=1S/C21H23N3O2/c22-12-17-9-5-11-24(17)20(25)18-10-4-8-16-14-23(21(26)19(16)18)13-15-6-2-1-3-7-15/h1-4,6-8,16-19H,5,9-11,13-14H2/t16-,17+,18+,19-/m1/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 human POP expressed in Escherichia coli BL21 pre-incubated for 30 mins before ZGP-pNA substrate addition

J Med Chem 59: 4221-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50180665
PNG
(CHEMBL3819346)
Show SMILES [H][C@]12CN(NC(=O)Cc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:22|
Show InChI InChI=1S/C22H24N4O3/c23-13-17-9-5-11-25(17)21(28)18-10-4-8-16-14-26(22(29)20(16)18)24-19(27)12-15-6-2-1-3-7-15/h1-4,6-8,16-18,20H,5,9-12,14H2,(H,24,27)/t16-,17-,18+,20-/m0/s1
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 4.00E+3n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human POP expressed in Escherichia coli BL21 pre-incubated for 30 mins before ZGP-pNA substrate addition

J Med Chem 59: 4221-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50180670
PNG
(CHEMBL3819362)
Show SMILES [H][C@]12CN(OCc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCCC1 |r,c:20|
Show InChI InChI=1S/C20H24N2O3/c23-19(21-11-4-5-12-21)17-10-6-9-16-13-22(20(24)18(16)17)25-14-15-7-2-1-3-8-15/h1-3,6-9,16-18H,4-5,10-14H2/t16-,17+,18-/m0/s1
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 7.50E+3n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human POP expressed in Escherichia coli BL21 pre-incubated for 30 mins before ZGP-pNA substrate addition

J Med Chem 59: 4221-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50180673
PNG
(CHEMBL3819408)
Show SMILES [H][C@]12CN(NC(=O)OCc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCCC1 |r,c:23|
Show InChI InChI=1S/C21H25N3O4/c25-19(23-11-4-5-12-23)17-10-6-9-16-13-24(20(26)18(16)17)22-21(27)28-14-15-7-2-1-3-8-15/h1-3,6-9,16-18H,4-5,10-14H2,(H,22,27)/t16-,17+,18-/m0/s1
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 1.20E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human POP expressed in Escherichia coli BL21 pre-incubated for 30 mins before ZGP-pNA substrate addition

J Med Chem 59: 4221-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50180680
PNG
(CHEMBL3818446)
Show SMILES [H][C@@]12CN(Cc3ccccc3)C(=O)[C@@]1([H])[C@H]([C@H](C)C=C2)C(=O)N1CCC[C@H]1C#N |r,c:20|
Show InChI InChI=1S/C22H25N3O2/c1-15-9-10-17-14-24(13-16-6-3-2-4-7-16)21(26)20(17)19(15)22(27)25-11-5-8-18(25)12-23/h2-4,6-7,9-10,15,17-20H,5,8,11,13-14H2,1H3/t15-,17-,18+,19+,20-/m1/s1
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 6.20E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human POP expressed in Escherichia coli BL21 pre-incubated for 30 mins before ZGP-pNA substrate addition

J Med Chem 59: 4221-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50180666
PNG
(CHEMBL3818472)
Show SMILES [H][C@]12CN(NC(=O)OCc3ccccc3)C(=O)[C@]1([H])[C@@H]([C@@H](C)C=C2)C(=O)N1CCC[C@H]1C#N |r,c:24|
Show InChI InChI=1S/C23H26N4O4/c1-15-9-10-17-13-27(25-23(30)31-14-16-6-3-2-4-7-16)22(29)20(17)19(15)21(28)26-11-5-8-18(26)12-24/h2-4,6-7,9-10,15,17-20H,5,8,11,13-14H2,1H3,(H,25,30)/t15-,17-,18-,19+,20-/m0/s1
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 6.25E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human POP expressed in Escherichia coli BL21 pre-incubated for 30 mins before ZGP-pNA substrate addition

J Med Chem 59: 4221-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50180671
PNG
(CHEMBL3819072)
Show SMILES [H][C@]12CN(NC(=O)Cc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C(=O)N1CCCC1 |r,c:22|
Show InChI InChI=1S/C21H25N3O3/c25-18(13-15-7-2-1-3-8-15)22-24-14-16-9-6-10-17(19(16)21(24)27)20(26)23-11-4-5-12-23/h1-3,6-9,16-17,19H,4-5,10-14H2,(H,22,25)/t16-,17+,19-/m0/s1
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 6.50E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human POP expressed in Escherichia coli BL21 pre-incubated for 30 mins before ZGP-pNA substrate addition

J Med Chem 59: 4221-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50180672
PNG
(CHEMBL3818541)
Show SMILES [H][C@]12CN(NC(=O)OCc3ccccc3)C(=O)[C@]1([H])[C@@H]([C@@H](C)C=C2)C(=O)N1CCCC1 |r,c:24|
Show InChI InChI=1S/C22H27N3O4/c1-15-9-10-17-13-25(23-22(28)29-14-16-7-3-2-4-8-16)21(27)19(17)18(15)20(26)24-11-5-6-12-24/h2-4,7-10,15,17-19H,5-6,11-14H2,1H3,(H,23,28)/t15-,17-,18+,19-/m0/s1
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 6.70E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human POP expressed in Escherichia coli BL21 pre-incubated for 30 mins before ZGP-pNA substrate addition

J Med Chem 59: 4221-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50180677
PNG
(CHEMBL3818999)
Show SMILES [H][C@@]12CN(NC(=O)OCc3ccccc3)C(=O)[C@@]1([H])[C@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:23|
Show InChI InChI=1S/C22H24N4O4/c23-12-17-9-5-11-25(17)20(27)18-10-4-8-16-13-26(21(28)19(16)18)24-22(29)30-14-15-6-2-1-3-7-15/h1-4,6-8,16-19H,5,9-11,13-14H2,(H,24,29)/t16-,17+,18+,19-/m1/s1
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 8.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human POP expressed in Escherichia coli BL21 pre-incubated for 30 mins before ZGP-pNA substrate addition

J Med Chem 59: 4221-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50180682
PNG
(CHEMBL3819233)
Show SMILES [H][C@@]12CN(OCc3ccccc3)C(=O)[C@@]1([H])[C@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:20|
Show InChI InChI=1S/C21H23N3O3/c22-12-17-9-5-11-23(17)20(25)18-10-4-8-16-13-24(21(26)19(16)18)27-14-15-6-2-1-3-7-15/h1-4,6-8,16-19H,5,9-11,13-14H2/t16-,17+,18+,19-/m1/s1
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>1.50E+5n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human POP expressed in Escherichia coli BL21 pre-incubated for 30 mins before ZGP-pNA substrate addition

J Med Chem 59: 4221-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50180676
PNG
(CHEMBL3818703)
Show SMILES [H][C@@]12CN(NC(=O)OCc3ccccc3)C(=O)[C@@]1([H])[C@H]([C@H](C)C=C2)C(=O)N1CCC[C@H]1C#N |r,c:24|
Show InChI InChI=1S/C23H26N4O4/c1-15-9-10-17-13-27(25-23(30)31-14-16-6-3-2-4-7-16)22(29)20(17)19(15)21(28)26-11-5-8-18(26)12-24/h2-4,6-7,9-10,15,17-20H,5,8,11,13-14H2,1H3,(H,25,30)/t15-,17-,18+,19+,20-/m1/s1
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>1.50E+5n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human POP expressed in Escherichia coli BL21 pre-incubated for 30 mins before ZGP-pNA substrate addition

J Med Chem 59: 4221-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50180675
PNG
(CHEMBL3819297)
Show SMILES [H][C@@]12CN(NC(=O)Cc3ccccc3)C(=O)[C@@]1([H])[C@H](CC=C2)C(=O)N1CCC[C@H]1C#N |r,c:22|
Show InChI InChI=1S/C22H24N4O3/c23-13-17-9-5-11-25(17)21(28)18-10-4-8-16-14-26(22(29)20(16)18)24-19(27)12-15-6-2-1-3-7-15/h1-4,6-8,16-18,20H,5,9-12,14H2,(H,24,27)/t16-,17+,18+,20-/m1/s1
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>1.50E+5n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human POP expressed in Escherichia coli BL21 pre-incubated for 30 mins before ZGP-pNA substrate addition

J Med Chem 59: 4221-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50180674
PNG
(CHEMBL3818697)
Show SMILES [H][C@]12CN(NC(=O)OCc3ccccc3)C(=O)[C@]1([H])[C@@H](CC=C2)C#N |r,c:23|
Show InChI InChI=1S/C17H17N3O3/c18-9-13-7-4-8-14-10-20(16(21)15(13)14)19-17(22)23-11-12-5-2-1-3-6-12/h1-6,8,13-15H,7,10-11H2,(H,19,22)/t13-,14-,15+/m0/s1
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>1.50E+5n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of human POP expressed in Escherichia coli BL21 pre-incubated for 30 mins before ZGP-pNA substrate addition

J Med Chem 59: 4221-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)		BDBM50312223
PNG
((2R,5S,7R)-1-Aza-7-benzyloxycarbonylamino-8-oxo-4-...)
Show SMILES O=C(N[C@@H]1C[C@@H]2SC[C@@H](C#N)N2C1=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C15H15N3O3S/c16-7-11-9-22-13-6-12(14(19)18(11)13)17-15(20)21-8-10-4-2-1-3-5-10/h1-5,11-13H,6,8-9H2,(H,17,20)/t11-,12-,13+/m1/s1
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n/an/a 200n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of poricne POP in cell lysates incubated for 60 mins using Z-Gly-Pro-AMC as a substrate by fluorescence assay

J Med Chem 59: 4221-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50312223
PNG
((2R,5S,7R)-1-Aza-7-benzyloxycarbonylamino-8-oxo-4-...)
Show SMILES O=C(N[C@@H]1C[C@@H]2SC[C@@H](C#N)N2C1=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C15H15N3O3S/c16-7-11-9-22-13-6-12(14(19)18(11)13)17-15(20)21-8-10-4-2-1-3-5-10/h1-5,11-13H,6,8-9H2,(H,17,20)/t11-,12-,13+/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of POP (unknown origin) in living cells

J Med Chem 59: 4221-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%