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Compile Data Set for Download or QSAR

Found 27 hits of ki data for polymerid = 50000071,50001094,50001095   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prolyl endopeptidase


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



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory activity against prolyl oligopeptidase of porcine brain homogenate


J Med Chem 47: 5605-7 (2004)


Article DOI: 10.1021/jm049503w
BindingDB Entry DOI: 10.7270/Q25D8R9G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prolyl endopeptidase


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



McGill University

Curated by ChEMBL


Assay Description
Inhibition of pig POP


J Med Chem 53: 3423-38 (2010)


Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prolyl endopeptidase


(Sus scrofa)
BDBM50155839
PNG
((S)-1-[(R)-2-(4-Phenyl-butyryl)-cyclopent-2-enecar...)
Show SMILES O=C(CCCc1ccccc1)C1=CCC[C@H]1C(=O)N1CCC[C@H]1C#N |t:12|
Show InChI InChI=1S/C21H24N2O2/c22-15-17-10-6-14-23(17)21(25)19-12-5-11-18(19)20(24)13-4-9-16-7-2-1-3-8-16/h1-3,7-8,11,17,19H,4-6,9-10,12-14H2/t17-,19+/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory activity against prolyl oligopeptidase of porcine brain homogenate


J Med Chem 47: 5605-7 (2004)


Article DOI: 10.1021/jm049503w
BindingDB Entry DOI: 10.7270/Q25D8R9G
More data for this
Ligand-Target Pair
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


(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



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory activity against prolyl oligopeptidase of porcine brain homogenate


J Med Chem 47: 5605-7 (2004)


Article DOI: 10.1021/jm049503w
BindingDB Entry DOI: 10.7270/Q25D8R9G
More data for this
Ligand-Target Pair
Prolyl endopeptidase


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



University of Helsinki

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2014.04.014
BindingDB Entry DOI: 10.7270/Q2G162BW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prolyl endopeptidase


(Sus scrofa)
BDBM50155836
PNG
((R)-5-[(S)-2-(2-Hydroxy-acetyl)-pyrrolidine-1-carb...)
Show SMILES OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC=C1C(=O)NCc1ccccc1 |c:15|
Show InChI InChI=1S/C20H24N2O4/c23-13-18(24)17-10-5-11-22(17)20(26)16-9-4-8-15(16)19(25)21-12-14-6-2-1-3-7-14/h1-3,6-8,16-17,23H,4-5,9-13H2,(H,21,25)/t16-,17+/m1/s1
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0.150n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibitory activity against prolyl oligopeptidase of porcine brain homogenate


J Med Chem 47: 5605-7 (2004)


Article DOI: 10.1021/jm049503w
BindingDB Entry DOI: 10.7270/Q25D8R9G
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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0.210n/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 |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


(Mus musculus)
BDBM50038879
PNG
((S)-2-(2-Formyl-pyrrolidine-1-carbonyl)-pyrrolidin...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |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 mouse 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


(Sus scrofa)
BDBM50170682
PNG
((S)-1-((S)-1-(3-((S)-2-(cyclopentanecarbonyl)pyrro...)
Show SMILES O=C(C1CCCC1)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C28H34N4O4/c29-18-22-11-4-14-30(22)28(36)24-13-6-16-32(24)27(35)21-10-3-9-20(17-21)26(34)31-15-5-12-23(31)25(33)19-7-1-2-8-19/h3,9-10,17,19,22-24H,1-2,4-8,11-16H2/t22-,23-,24-/m0/s1
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0.360n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of pig brain POP


J Med Chem 53: 3423-38 (2010)


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


(Mus musculus)
BDBM50279827
PNG
(2-((S)-2-Formyl-pyrrolidine-1-carbonyl)-2,3-dihydr...)
Show SMILES O=C[C@@H]1CCCN1C(=O)C1Cc2ccccc2N1C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H22N2O4/c25-14-18-10-6-12-23(18)21(26)20-13-17-9-4-5-11-19(17)24(20)22(27)28-15-16-7-2-1-3-8-16/h1-5,7-9,11,14,18,20H,6,10,12-13,15H2/t18-,20?/m0/s1
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2.40n/an/an/an/a 0.000300 1.40E+5n/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the enzyme kinetic data (kon) for binding inhibition against Prolyl Endopeptidase (PEP)


Bioorg Med Chem Lett 1: 585-590 (1991)


Article DOI: 10.1016/S0960-894X(01)81156-2
BindingDB Entry DOI: 10.7270/Q2SQ909F
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50316840
PNG
((R)-benzyl 2-((S)-2-formylpyrrolidine-1-carbonyl)i...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@H]1Cc2ccccc2N1C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C22H22N2O4/c25-14-18-10-6-12-23(18)21(26)20-13-17-9-4-5-11-19(17)24(20)22(27)28-15-16-7-2-1-3-8-16/h1-5,7-9,11,14,18,20H,6,10,12-13,15H2/t18-,20+/m0/s1
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2.40n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of mouse brain POP


J Med Chem 53: 3423-38 (2010)


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


(Mus musculus)
BDBM50279825
PNG
((1R,2S)-2-((S)-2-Formyl-pyrrolidine-1-carbonyl)-cy...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)OCc1ccccc1
Show InChI InChI=1S/C20H25NO4/c22-13-16-9-6-12-21(16)19(23)17-10-4-5-11-18(17)20(24)25-14-15-7-2-1-3-8-15/h1-3,7-8,13,16-18H,4-6,9-12,14H2/t16-,17-,18+/m0/s1
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding inhibition against Prolyl Endopeptidase (PEP).


Bioorg Med Chem Lett 1: 585-590 (1991)


Article DOI: 10.1016/S0960-894X(01)81156-2
BindingDB Entry DOI: 10.7270/Q2SQ909F
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50279825
PNG
((1R,2S)-2-((S)-2-Formyl-pyrrolidine-1-carbonyl)-cy...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)OCc1ccccc1
Show InChI InChI=1S/C20H25NO4/c22-13-16-9-6-12-21(16)19(23)17-10-4-5-11-18(17)20(24)25-14-15-7-2-1-3-8-15/h1-3,7-8,13,16-18H,4-6,9-12,14H2/t16-,17-,18+/m0/s1
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3n/an/an/an/a 0.00200 7.00E+5n/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the enzyme kinetic data (kon) for binding inhibition against Prolyl Endopeptidase (PEP)


Bioorg Med Chem Lett 1: 585-590 (1991)


Article DOI: 10.1016/S0960-894X(01)81156-2
BindingDB Entry DOI: 10.7270/Q2SQ909F
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50279826
PNG
((1S,2S)-2-((S)-2-Formyl-pyrrolidine-1-carbonyl)-cy...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@H]1CCCC[C@@H]1C(=O)OCc1ccccc1
Show InChI InChI=1S/C20H25NO4/c22-13-16-9-6-12-21(16)19(23)17-10-4-5-11-18(17)20(24)25-14-15-7-2-1-3-8-15/h1-3,7-8,13,16-18H,4-6,9-12,14H2/t16-,17-,18-/m0/s1
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3n/an/an/an/a 0.000700 2.30E+5n/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the enzyme kinetic data (kon) for binding inhibition against Prolyl Endopeptidase (PEP)


Bioorg Med Chem Lett 1: 585-590 (1991)


Article DOI: 10.1016/S0960-894X(01)81156-2
BindingDB Entry DOI: 10.7270/Q2SQ909F
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50279826
PNG
((1S,2S)-2-((S)-2-Formyl-pyrrolidine-1-carbonyl)-cy...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@H]1CCCC[C@@H]1C(=O)OCc1ccccc1
Show InChI InChI=1S/C20H25NO4/c22-13-16-9-6-12-21(16)19(23)17-10-4-5-11-18(17)20(24)25-14-15-7-2-1-3-8-15/h1-3,7-8,13,16-18H,4-6,9-12,14H2/t16-,17-,18-/m0/s1
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3n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of mouse brain POP


J Med Chem 53: 3423-38 (2010)


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


(Sus scrofa)
BDBM50005880
PNG
(CHEMBL3236273)
Show SMILES Ic1ccc(CCCC(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C#N)cc1 |r|
Show InChI InChI=1S/C20H24IN3O2/c21-16-10-8-15(9-11-16)4-1-7-19(25)24-13-3-6-18(24)20(26)23-12-2-5-17(23)14-22/h8-11,17-18H,1-7,12-13H2/t17-,18-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2014.04.014
BindingDB Entry DOI: 10.7270/Q2G162BW
More data for this
Ligand-Target Pair
Prolyl endopeptidase


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



University of Helsinki

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2014.04.014
BindingDB Entry DOI: 10.7270/Q2G162BW
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50316836
PNG
((9H-fluoren-9-yl)methyl(S)-1-((S)-2-cyanopyrrolidi...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-[#6]-1-c2ccccc2-c2ccccc-12)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1C#N |r|
Show InChI InChI=1S/C26H30N6O3/c27-15-17-7-6-14-32(17)24(33)23(12-5-13-30-25(28)29)31-26(34)35-16-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-4,8-11,17,22-23H,5-7,12-14,16H2,(H,31,34)(H4,28,29,30)/t17-,23-/m0/s1
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33n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of mouse brain POP


J Med Chem 53: 3423-38 (2010)


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 |r|
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 |r|
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 |r|
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 |r|
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


(Sus scrofa)
BDBM50316825
PNG
(2-(2,3-dihydro-1H-inden-2-yl)-1-((R)-4-((R)-4-(dim...)
Show SMILES COC(OC)[C@@H]1CSCN1C(=O)[C@@H]1CSCN1C(=O)CC1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C21H28N2O4S2/c1-26-21(27-2)18-11-29-13-23(18)20(25)17-10-28-12-22(17)19(24)9-14-7-15-5-3-4-6-16(15)8-14/h3-6,14,17-18,21H,7-13H2,1-2H3/t17-,18-/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 pig 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 |r|
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