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Compile Data Set for Download or QSAR

Found 123 hits with Last Name = 'mittermaier' and Initial = 'a'   
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))		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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 0.400n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human POP assessed as affinity constant of second step of inhibition pre-incubated for 2 hrs before addition of ZGP-pNA sub...

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



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human POP pre-incubated for 30 mins before addition of ZGP-pNA substrate by absorbance assay

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		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))		BDBM50508977
PNG
(CHEMBL4451993)
Show SMILES O=C[C@@H]1CCCN1C(=O)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
Show InChI InChI=1S/C21H20N2O3/c24-14-17-9-5-11-23(17)20(25)18-10-4-8-16-13-22(21(26)19(16)18)12-15-6-2-1-3-7-15/h1-4,6-8,10,14,17H,5,9,11-13H2/t17-/m0/s1
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 3.5n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human POP assessed as affinity constant of second step of inhibition pre-incubated for 2 hrs before addition of ZGP-pNA sub...

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))		BDBM50508977
PNG
(CHEMBL4451993)
Show SMILES O=C[C@@H]1CCCN1C(=O)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
Show InChI InChI=1S/C21H20N2O3/c24-14-17-9-5-11-23(17)20(25)18-10-4-8-16-13-22(21(26)19(16)18)12-15-6-2-1-3-7-15/h1-4,6-8,10,14,17H,5,9,11-13H2/t17-/m0/s1
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 4n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human POP pre-incubated for 30 mins before addition of ZGP-pNA substrate by absorbance assay

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))		BDBM50504804
PNG
(CHEMBL4559324)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1ccc(NC(C)=O)cc1OC |r|
Show InChI InChI=1S/C24H33BN2O5/c1-14(28)26-16-8-9-17(18(13-16)30-5)22(29)27-10-6-7-21(27)25-31-20-12-15-11-19(23(15,2)3)24(20,4)32-25/h8-9,13,15,19-21H,6-7,10-12H2,1-5H3,(H,26,28)/t15-,19-,20+,21-,24-/m0/s1
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 6n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged POP (2 to 710 residues) expressed in SF21 cells using Z-Gly-Pro-AMC as substrate incubated for ...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111783
BindingDB Entry DOI: 10.7270/Q2CV4N01
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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 8n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human POP assessed as affinity constant of first step of the binding event pre-incubated for 2 hrs before addition of ZGP-p...

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		3D
3D Structure (crystal)
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50504801
PNG
(CHEMBL4576969)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1ccccc1SC |r|
Show InChI InChI=1S/C22H30BNO3S/c1-21(2)14-12-17(21)22(3)18(13-14)26-23(27-22)19-10-7-11-24(19)20(25)15-8-5-6-9-16(15)28-4/h5-6,8-9,14,17-19H,7,10-13H2,1-4H3/t14-,17-,18+,19-,22-/m0/s1
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 9n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged POP (2 to 710 residues) expressed in SF21 cells using Z-Gly-Pro-AMC as substrate incubated for ...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111783
BindingDB Entry DOI: 10.7270/Q2CV4N01
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 FAP


(Homo sapiens (Human))		BDBM50200721
PNG
((R)-1-(2-(cyclohexanecarboxamido)acetyl)pyrrolidin...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC(=O)C1CCCCC1
Show InChI InChI=1S/C13H23BN2O4/c17-12(16-8-4-7-11(16)14(19)20)9-15-13(18)10-5-2-1-3-6-10/h10-11,19-20H,1-9H2,(H,15,18)/t11-/m0/s1
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 14n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114543
BindingDB Entry DOI: 10.7270/Q21R6VM6
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50508977
PNG
(CHEMBL4451993)
Show SMILES O=C[C@@H]1CCCN1C(=O)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
Show InChI InChI=1S/C21H20N2O3/c24-14-17-9-5-11-23(17)20(25)18-10-4-8-16-13-22(21(26)19(16)18)12-15-6-2-1-3-7-15/h1-4,6-8,10,14,17H,5,9,11-13H2/t17-/m0/s1
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 20n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human POP assessed as affinity constant of first step of the binding event pre-incubated for 2 hrs before addition of ZGP-p...

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))		BDBM50508979
PNG
(CHEMBL4558566)
Show SMILES [H][C@]12C[C@]([H])(C1(C)C)[C@@]1(C)OB(O[C@@]1([H])C2)[C@@H]1CCCN1C(=O)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
Show InChI InChI=1S/C30H35BN2O4/c1-29(2)21-15-23(29)30(3)24(16-21)36-31(37-30)25-13-8-14-33(25)27(34)22-12-7-11-20-18-32(28(35)26(20)22)17-19-9-5-4-6-10-19/h4-7,9-12,21,23-25H,8,13-18H2,1-3H3/t21-,23-,24+,25+,30-/m1/s1
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 22n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human POP pre-incubated for 2 hrs before addition of ZGP-pNA substrate by absorbance assay

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))		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))		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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 25n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human POP assessed as affinity constant of second step of inhibition pre-incubated for 2 hrs before addition of ZGP-pNA sub...

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))		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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 25n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human POP pre-incubated for 30 mins before addition of ZGP-pNA substrate by absorbance assay

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))		BDBM50508979
PNG
(CHEMBL4558566)
Show SMILES [H][C@]12C[C@]([H])(C1(C)C)[C@@]1(C)OB(O[C@@]1([H])C2)[C@@H]1CCCN1C(=O)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
Show InChI InChI=1S/C30H35BN2O4/c1-29(2)21-15-23(29)30(3)24(16-21)36-31(37-30)25-13-8-14-33(25)27(34)22-12-7-11-20-18-32(28(35)26(20)22)17-19-9-5-4-6-10-19/h4-7,9-12,21,23-25H,8,13-18H2,1-3H3/t21-,23-,24+,25+,30-/m1/s1
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 29n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human POP assessed as affinity constant of second step of inhibition pre-incubated for 2 hrs before addition of ZGP-pNA sub...

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))		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))		BDBM50504800
PNG
(CHEMBL4579992)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1ccccc1OC |r|
Show InChI InChI=1S/C22H30BNO4/c1-21(2)14-12-17(21)22(3)18(13-14)27-23(28-22)19-10-7-11-24(19)20(25)15-8-5-6-9-16(15)26-4/h5-6,8-9,14,17-19H,7,10-13H2,1-4H3/t14-,17-,18+,19-,22-/m0/s1
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 44n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged POP (2 to 710 residues) expressed in SF21 cells using Z-Gly-Pro-AMC as substrate incubated for ...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111783
BindingDB Entry DOI: 10.7270/Q2CV4N01
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))		BDBM50504809
PNG
(CHEMBL4474217)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1c(F)cccc1OC |r|
Show InChI InChI=1S/C22H29BFNO4/c1-21(2)13-11-16(21)22(3)17(12-13)28-23(29-22)18-9-6-10-25(18)20(26)19-14(24)7-5-8-15(19)27-4/h5,7-8,13,16-18H,6,9-12H2,1-4H3/t13-,16-,17+,18-,22-/m0/s1
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 49n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged POP (2 to 710 residues) expressed in SF21 cells using Z-Gly-Pro-AMC as substrate incubated for ...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111783
BindingDB Entry DOI: 10.7270/Q2CV4N01
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50508979
PNG
(CHEMBL4558566)
Show SMILES [H][C@]12C[C@]([H])(C1(C)C)[C@@]1(C)OB(O[C@@]1([H])C2)[C@@H]1CCCN1C(=O)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
Show InChI InChI=1S/C30H35BN2O4/c1-29(2)21-15-23(29)30(3)24(16-21)36-31(37-30)25-13-8-14-33(25)27(34)22-12-7-11-20-18-32(28(35)26(20)22)17-19-9-5-4-6-10-19/h4-7,9-12,21,23-25H,8,13-18H2,1-3H3/t21-,23-,24+,25+,30-/m1/s1
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 60n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human POP assessed as affinity constant of first step of the binding event pre-incubated for 2 hrs before addition of ZGP-p...

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 FAP


(Homo sapiens (Human))		BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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 66n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114543
BindingDB Entry DOI: 10.7270/Q21R6VM6
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50504797
PNG
(CHEMBL4529691)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1ccc(NC(C)=O)cc1F |r|
Show InChI InChI=1S/C23H30BFN2O4/c1-13(28)26-15-7-8-16(17(25)12-15)21(29)27-9-5-6-20(27)24-30-19-11-14-10-18(22(14,2)3)23(19,4)31-24/h7-8,12,14,18-20H,5-6,9-11H2,1-4H3,(H,26,28)/t14-,18-,19+,20-,23-/m0/s1
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 80n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged POP (2 to 710 residues) expressed in SF21 cells using Z-Gly-Pro-AMC as substrate incubated for ...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111783
BindingDB Entry DOI: 10.7270/Q2CV4N01
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50508979
PNG
(CHEMBL4558566)
Show SMILES [H][C@]12C[C@]([H])(C1(C)C)[C@@]1(C)OB(O[C@@]1([H])C2)[C@@H]1CCCN1C(=O)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
Show InChI InChI=1S/C30H35BN2O4/c1-29(2)21-15-23(29)30(3)24(16-21)36-31(37-30)25-13-8-14-33(25)27(34)22-12-7-11-20-18-32(28(35)26(20)22)17-19-9-5-4-6-10-19/h4-7,9-12,21,23-25H,8,13-18H2,1-3H3/t21-,23-,24+,25+,30-/m1/s1
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 110n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human POP pre-incubated for 30 mins before addition of ZGP-pNA substrate by absorbance assay

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 FAP


(Homo sapiens (Human))		BDBM50382283
PNG
(CHEMBL2022530 | US9346814, Ref. Cmpd No 1 (Example...)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C18H15F2N3O2/c19-18(20)8-13(9-21)23(11-18)16(24)10-22-17(25)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13H,8,10-11H2,(H,22,25)/t13-/m0/s1
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 110n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114543
BindingDB Entry DOI: 10.7270/Q21R6VM6
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50393842
PNG
(CHEMBL2159749)
Show SMILES O=C(N1CCCC1)c1cccc2CN(Cc3ccccc3)C(=O)c12
Show InChI InChI=1S/C20H20N2O2/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/h1-3,6-10H,4-5,11-14H2
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 160n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human POP pre-incubated for 30 mins before addition of ZGP-pNA substrate by absorbance assay

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))		BDBM50508978
PNG
(CHEMBL4462021)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
Show InChI InChI=1S/C21H18FN3O2/c22-16-9-17(10-23)25(13-16)20(26)18-8-4-7-15-12-24(21(27)19(15)18)11-14-5-2-1-3-6-14/h1-8,16-17H,9,11-13H2/t16-,17-/m0/s1
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 170n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human POP pre-incubated for 30 mins before addition of ZGP-pNA substrate by absorbance assay

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 FAP


(Homo sapiens (Human))		BDBM50601877
PNG
(CHEMBL5171879)
Show SMILES [H][C@]12CC[C@@H](B(O)O)N1C(=O)[C@@H](N)CO2 |r|
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 200n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114543
BindingDB Entry DOI: 10.7270/Q21R6VM6
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50504791
PNG
(CHEMBL4434935)
Show SMILES CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2B(O)O)c(F)c1 |r|
Show InChI InChI=1S/C13H16BFN2O4/c1-8(18)16-9-4-5-10(11(15)7-9)13(19)17-6-2-3-12(17)14(20)21/h4-5,7,12,20-21H,2-3,6H2,1H3,(H,16,18)/t12-/m0/s1
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 210n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged POP (2 to 710 residues) expressed in SF21 cells using Z-Gly-Pro-AMC as substrate incubated for ...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111783
BindingDB Entry DOI: 10.7270/Q2CV4N01
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50504794
PNG
(CHEMBL4451076)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1ccc(NC(C)=O)cc1 |r|
Show InChI InChI=1S/C23H31BN2O4/c1-14(27)25-17-9-7-15(8-10-17)21(28)26-11-5-6-20(26)24-29-19-13-16-12-18(22(16,2)3)23(19,4)30-24/h7-10,16,18-20H,5-6,11-13H2,1-4H3,(H,25,27)/t16-,18-,19+,20-,23-/m0/s1
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 270n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged POP (2 to 710 residues) expressed in SF21 cells using Z-Gly-Pro-AMC as substrate incubated for ...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111783
BindingDB Entry DOI: 10.7270/Q2CV4N01
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50508981
PNG
(CHEMBL4437462)
Show SMILES F[C@H]1CCN(C1)C(=O)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
Show InChI InChI=1S/C20H19FN2O2/c21-16-9-10-22(13-16)19(24)17-8-4-7-15-12-23(20(25)18(15)17)11-14-5-2-1-3-6-14/h1-8,16H,9-13H2/t16-/m0/s1
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 290n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human POP pre-incubated for 30 mins before addition of ZGP-pNA substrate by absorbance assay

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))		BDBM50504805
PNG
(CHEMBL4438065)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1c(F)cccc1F |r|
Show InChI InChI=1S/C21H26BF2NO3/c1-20(2)12-10-15(20)21(3)16(11-12)27-22(28-21)17-8-5-9-25(17)19(26)18-13(23)6-4-7-14(18)24/h4,6-7,12,15-17H,5,8-11H2,1-3H3/t12-,15-,16+,17-,21-/m0/s1
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 355n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged POP (2 to 710 residues) expressed in SF21 cells using Z-Gly-Pro-AMC as substrate incubated for ...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111783
BindingDB Entry DOI: 10.7270/Q2CV4N01
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50508980
PNG
(CHEMBL4584206)
Show SMILES F[C@@H]1CCN(C1)C(=O)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
Show InChI InChI=1S/C20H19FN2O2/c21-16-9-10-22(13-16)19(24)17-8-4-7-15-12-23(20(25)18(15)17)11-14-5-2-1-3-6-14/h1-8,16H,9-13H2/t16-/m1/s1
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 620n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human POP pre-incubated for 30 mins before addition of ZGP-pNA substrate by absorbance assay

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 FAP


(Homo sapiens (Human))		BDBM50601879
PNG
(CHEMBL5199424)
Show SMILES [H][C@]12CC[C@@H](B(O)O)N1C(=O)[C@@H](N)[C@@H](C)O2 |r|
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 720n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114543
BindingDB Entry DOI: 10.7270/Q21R6VM6
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50504799
PNG
(CHEMBL4452429)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H28BNO3/c1-20(2)15-12-16(20)21(3)17(13-15)25-22(26-21)18-10-7-11-23(18)19(24)14-8-5-4-6-9-14/h4-6,8-9,15-18H,7,10-13H2,1-3H3/t15-,16-,17+,18-,21-/m0/s1
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 767n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged POP (2 to 710 residues) expressed in SF21 cells using Z-Gly-Pro-AMC as substrate incubated for ...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111783
BindingDB Entry DOI: 10.7270/Q2CV4N01
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50504803
PNG
(CHEMBL4531021)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H]1B(O)O |r|
Show InChI InChI=1S/C13H17BN2O4/c1-9(17)15-11-6-4-10(5-7-11)13(18)16-8-2-3-12(16)14(19)20/h4-7,12,19-20H,2-3,8H2,1H3,(H,15,17)/t12-/m0/s1
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 950n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged POP (2 to 710 residues) expressed in SF21 cells using Z-Gly-Pro-AMC as substrate incubated for ...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111783
BindingDB Entry DOI: 10.7270/Q2CV4N01
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))		BDBM50504807
PNG
(CHEMBL4452999)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1ccccc1F |r|
Show InChI InChI=1S/C21H27BFNO3/c1-20(2)13-11-16(20)21(3)17(12-13)26-22(27-21)18-9-6-10-24(18)19(25)14-7-4-5-8-15(14)23/h4-5,7-8,13,16-18H,6,9-12H2,1-3H3/t13-,16-,17+,18-,21-/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 recombinant human N-terminal His-tagged POP (2 to 710 residues) expressed in SF21 cells using Z-Gly-Pro-AMC as substrate incubated for ...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111783
BindingDB Entry DOI: 10.7270/Q2CV4N01
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50504798
PNG
(CHEMBL4451490)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1c(N)cccc1F |r|
Show InChI InChI=1S/C21H28BFN2O3/c1-20(2)12-10-15(20)21(3)16(11-12)27-22(28-21)17-8-5-9-25(17)19(26)18-13(23)6-4-7-14(18)24/h4,6-7,12,15-17H,5,8-11,24H2,1-3H3/t12-,15-,16+,17-,21-/m0/s1
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 1.10E+3n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged POP (2 to 710 residues) expressed in SF21 cells using Z-Gly-Pro-AMC as substrate incubated for ...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111783
BindingDB Entry DOI: 10.7270/Q2CV4N01
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Homo sapiens (Human))		BDBM50601876
PNG
(CHEMBL5195493)
Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CC[C@]2([H])OC[C@H](NC(C)=O)C(=O)N12 |r|
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 1.30E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114543
BindingDB Entry DOI: 10.7270/Q21R6VM6
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))		BDBM50504802
PNG
(CHEMBL4588524)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C14H15N3O2/c1-10(18)16-12-6-4-11(5-7-12)14(19)17-8-2-3-13(17)9-15/h4-7,13H,2-3,8H2,1H3,(H,16,18)/t13-/m0/s1
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 2.20E+3n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged POP (2 to 710 residues) expressed in SF21 cells using Z-Gly-Pro-AMC as substrate incubated for ...

Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111783
BindingDB Entry DOI: 10.7270/Q2CV4N01
More data for this
Ligand-Target Pair
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