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Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with Target = 'Prolyl endopeptidase' AND taxid = 9913   
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


(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)


Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N
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


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


(Bos taurus)
BDBM50316839
PNG
((S)-benzyl 2-((S)-2-formylpyrrolidine-1-carbonyl)-...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1
Show InChI InChI=1S/C18H20N2O5/c21-11-14-7-4-10-19(14)17(23)15-8-9-16(22)20(15)18(24)25-12-13-5-2-1-3-6-13/h1-3,5-6,11,14-15H,4,7-10,12H2/t14-,15-/m0/s1
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3.40n/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)


Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Bos taurus)
BDBM50316835
PNG
((S)-benzyl 2-(thiazolidine-3-carbonyl)pyrrolidine-...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCSC1
Show InChI InChI=1S/C16H20N2O3S/c19-15(17-9-10-22-12-17)14-7-4-8-18(14)16(20)21-11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2/t14-/m0/s1
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39n/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)


Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Bos taurus)
BDBM50316834
PNG
((S)-2-(1-Oxo-1lambda*4*-thiazolidine-3-carbonyl)-p...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCS(=O)C1
Show InChI InChI=1S/C16H20N2O4S/c19-15(17-9-10-23(21)12-17)14-7-4-8-18(14)16(20)22-11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2/t14-,23?/m0/s1
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1.61E+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)


Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N
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)


Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Bos taurus)
BDBM50316833
PNG
((S)-benzyl 2-(oxazolidine-3-carbonyl)pyrrolidine-1...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCOC1
Show InChI InChI=1S/C16H20N2O4/c19-15(17-9-10-21-12-17)14-7-4-8-18(14)16(20)22-11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2/t14-/m0/s1
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2.90E+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)


Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Bos taurus)
BDBM50316827
PNG
((S)-benzyl 2-(2-(2-chloroacetyl)pyrrolidin-1-yl)-2...)
Show SMILES ClCC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1
Show InChI InChI=1S/C16H19ClN2O4/c17-9-14(20)13-7-4-8-19(13)15(21)10-18-16(22)23-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,18,22)/t13-/m0/s1
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7.00E+4n/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)


Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Bos taurus)
BDBM50316842
PNG
((S)-1-((S)-3-methyl-2-(4-phenylbutanamido)butanoyl...)
Show SMILES CC(C)[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C20H28N2O4/c1-14(2)18(19(24)22-13-7-11-16(22)20(25)26)21-17(23)12-6-10-15-8-4-3-5-9-15/h3-5,8-9,14,16,18H,6-7,10-13H2,1-2H3,(H,21,23)(H,25,26)/t16-,18-/m0/s1
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n/an/a 4.20n/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)


Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Bos taurus)
BDBM50051480
PNG
(4-Phenyl-1-[(R)-4-(pyrrolidine-1-carbonyl)-thiazol...)
Show SMILES O=C(CCCc1ccccc1)N1CSC[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C18H24N2O2S/c21-17(10-6-9-15-7-2-1-3-8-15)20-14-23-13-16(20)18(22)19-11-4-5-12-19/h1-3,7-8,16H,4-6,9-14H2/t16-/m0/s1
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n/an/a 67n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against Post-proline cleaving enzyme from bovine brain


J Med Chem 39: 2379-91 (1996)


Article DOI: 10.1021/jm950858c
BindingDB Entry DOI: 10.7270/Q2RF5T4J
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Bos taurus)
BDBM50051480
PNG
(4-Phenyl-1-[(R)-4-(pyrrolidine-1-carbonyl)-thiazol...)
Show SMILES O=C(CCCc1ccccc1)N1CSC[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C18H24N2O2S/c21-17(10-6-9-15-7-2-1-3-8-15)20-14-23-13-16(20)18(22)19-11-4-5-12-19/h1-3,7-8,16H,4-6,9-14H2/t16-/m0/s1
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n/an/a 67n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against Post-proline cleaving enzyme from bovine brain


J Med Chem 39: 2379-91 (1996)


Article DOI: 10.1021/jm950858c
BindingDB Entry DOI: 10.7270/Q2RF5T4J
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Bos taurus)
BDBM50051539
PNG
((S)-4-phenyl-1-(2-(pyrrolidine-1-carbonyl)pyrrolid...)
Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C19H26N2O2/c22-18(12-6-10-16-8-2-1-3-9-16)21-15-7-11-17(21)19(23)20-13-4-5-14-20/h1-3,8-9,17H,4-7,10-15H2/t17-/m0/s1
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n/an/a 2.10E+3n/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)


Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Bos taurus)
BDBM50134186
PNG
(CHEMBL3734964)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2[nH]nc(NC(=O)C3CC3)c2C1
Show InChI InChI=1S/C20H23F2N5O2/c21-11-3-4-15(22)13(5-11)18-16(23)6-12(9-29-18)27-7-14-17(8-27)25-26-19(14)24-20(28)10-1-2-10/h3-5,10,12,16,18H,1-2,6-9,23H2,(H2,24,25,26,28)/t12-,16+,18-/m1/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine serum FAP


Bioorg Med Chem Lett 25: 5767-71 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.070
BindingDB Entry DOI: 10.7270/Q208675S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Bos taurus)
BDBM50134189
PNG
(CHEMBL3735129)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2[nH]nc(NC(=O)c3nccs3)c2C1
Show InChI InChI=1S/C20H20F2N6O2S/c21-10-1-2-14(22)12(5-10)17-15(23)6-11(9-30-17)28-7-13-16(8-28)26-27-18(13)25-19(29)20-24-3-4-31-20/h1-5,11,15,17H,6-9,23H2,(H2,25,26,27,29)/t11-,15+,17-/m1/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine serum FAP


Bioorg Med Chem Lett 25: 5767-71 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.070
BindingDB Entry DOI: 10.7270/Q208675S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Bos taurus)
BDBM50316826
PNG
((S)-benzyl 2-((S)-2-(hydroxymethyl)pyrrolidine-1-c...)
Show SMILES OC[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C18H24N2O4/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/h1-3,6-7,15-16,21H,4-5,8-13H2/t15-,16-/m0/s1
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n/an/a 4.20E+4n/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)


Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Bos taurus)
BDBM50135020
PNG
(CHEMBL3736135)
Show SMILES CCC(=O)Nc1n[nH]c2CN(Cc12)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F
Show InChI InChI=1S/C19H23F2N5O2/c1-2-17(27)23-19-13-7-26(8-16(13)24-25-19)11-6-15(22)18(28-9-11)12-5-10(20)3-4-14(12)21/h3-5,11,15,18H,2,6-9,22H2,1H3,(H2,23,24,25,27)/t11-,15+,18-/m1/s1
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n/an/a 4.70E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine serum FAP


Bioorg Med Chem Lett 25: 5767-71 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.070
BindingDB Entry DOI: 10.7270/Q208675S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Bos taurus)
BDBM50135009
PNG
(CHEMBL3736423)
Show SMILES Cn1cnc(c1)S(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F
Show InChI InChI=1S/C20H22F2N6O3S/c1-26-9-19(24-11-26)32(29,30)28-7-12-6-27(8-18(12)25-28)14-5-17(23)20(31-10-14)15-4-13(21)2-3-16(15)22/h2-4,7,9,11,14,17,20H,5-6,8,10,23H2,1H3/t14-,17+,20-/m1/s1
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n/an/a 9.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine serum FAP


Bioorg Med Chem Lett 25: 5767-71 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.070
BindingDB Entry DOI: 10.7270/Q208675S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Bos taurus)
BDBM50135035
PNG
(CHEMBL3736067)
Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2cn(nc2C1)S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H21F5N4O3S/c24-15-4-5-19(25)18(7-15)22-20(29)8-16(12-35-22)31-9-13-10-32(30-21(13)11-31)36(33,34)17-3-1-2-14(6-17)23(26,27)28/h1-7,10,16,20,22H,8-9,11-12,29H2/t16-,20+,22-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine serum FAP


Bioorg Med Chem Lett 25: 5767-71 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.070
BindingDB Entry DOI: 10.7270/Q208675S
More data for this
Ligand-Target Pair
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)


Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N
More data for this
Ligand-Target Pair