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PubMed code 12238937

Compile data set for download or QSAR
Found 13 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


(Sus scrofa)		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 0.330n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prolyl oligopeptidase (POP) from pigbrain expressed

J Med Chem 45: 4581-4 (2002)


BindingDB Entry DOI: 10.7270/Q22R3R02
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prolyl endopeptidase


(Sus scrofa)		BDBM50118910
PNG
(2-Hydroxy-1-[1-(1-{3-[2-(pyrrolidine-1-carbonyl)-p...)
Show SMILES OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCCC1C(=O)N1CCCC1
Show InChI InChI=1S/C28H36N4O6/c33-18-24(34)21-9-4-14-30(21)28(38)23-11-6-16-32(23)26(36)20-8-3-7-19(17-20)25(35)31-15-5-10-22(31)27(37)29-12-1-2-13-29/h3,7-8,17,21-23,33H,1-2,4-6,9-16,18H2/t21-,22?,23-/m0/s1
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n/an/a 0.390n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prolyl oligopeptidase (POP) from pig brain ;value ranges from (1.1-2.2)

J Med Chem 45: 4581-4 (2002)


BindingDB Entry DOI: 10.7270/Q22R3R02
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)		BDBM50118908
PNG
(1-(1-{3-[2-(Pyrrolidine-1-carbonyl)-pyrrolidine-1-...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCCC1C(=O)N1CCCC1
Show InChI InChI=1S/C27H34N4O5/c32-18-21-9-4-14-29(21)27(36)23-11-6-16-31(23)25(34)20-8-3-7-19(17-20)24(33)30-15-5-10-22(30)26(35)28-12-1-2-13-28/h3,7-8,17-18,21-23H,1-2,4-6,9-16H2/t21-,22?,23-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prolyl oligopeptidase (POP) from pigbrain expressed

J Med Chem 45: 4581-4 (2002)


BindingDB Entry DOI: 10.7270/Q22R3R02
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)		BDBM50118912
PNG
(1-(1-{3-[2-(Pyrrolidine-1-carbonyl)-pyrrolidine-1-...)
Show SMILES O=C(C1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N)N1CCCC1
Show InChI InChI=1S/C27H33N5O4/c28-18-21-9-4-14-30(21)27(36)23-11-6-16-32(23)25(34)20-8-3-7-19(17-20)24(33)31-15-5-10-22(31)26(35)29-12-1-2-13-29/h3,7-8,17,21-23H,1-2,4-6,9-16H2/t21-,22?,23-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prolyl oligopeptidase (POP) from pig brain ;value ranges from (1.1-2.2)

J Med Chem 45: 4581-4 (2002)


BindingDB Entry DOI: 10.7270/Q22R3R02
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)		BDBM50051539
PNG
((S)-4-phenyl-1-(2-(pyrrolidine-1-carbonyl)pyrrolid...)
Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCCC1 |r|
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 2.20n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prolyl oligopeptidase (POP) from pig brain ;value ranges from (1.9-2.5)

J Med Chem 45: 4581-4 (2002)


BindingDB Entry DOI: 10.7270/Q22R3R02
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)		BDBM50118917
PNG
(3,3-Dimethyl-1,5-bis-[2-(pyrrolidine-1-carbonyl)-p...)
Show SMILES CC(C)(CC(=O)N1CCCC1C(=O)N1CCCC1)CC(=O)N1CCC[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C25H40N4O4/c1-25(2,17-21(30)28-15-7-9-19(28)23(32)26-11-3-4-12-26)18-22(31)29-16-8-10-20(29)24(33)27-13-5-6-14-27/h19-20H,3-18H2,1-2H3/t19-,20?/m0/s1
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n/an/a 13n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prolyl oligopeptidase (POP) from pig brain ;value ranges from (12-14)

J Med Chem 45: 4581-4 (2002)


BindingDB Entry DOI: 10.7270/Q22R3R02
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)		BDBM50134166
PNG
(CHEMBL141158 | {3-[(S)-2-(Pyrrolidine-1-carbonyl)-...)
Show SMILES O=C([C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C26H34N4O4/c31-23(29-16-6-10-21(29)25(33)27-12-1-2-13-27)19-8-5-9-20(18-19)24(32)30-17-7-11-22(30)26(34)28-14-3-4-15-28/h5,8-9,18,21-22H,1-4,6-7,10-17H2/t21-,22-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prolyl oligopeptidase (POP) from pig brain ;value ranges from (21-32)

J Med Chem 45: 4581-4 (2002)


BindingDB Entry DOI: 10.7270/Q22R3R02
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)		BDBM50118913
PNG
(1,5-Bis-[2-(pyrrolidine-1-carbonyl)-pyrrolidin-1-y...)
Show SMILES O=C(CCCC(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCCC1C(=O)N1CCCC1
Show InChI InChI=1S/C23H36N4O4/c28-20(26-16-6-8-18(26)22(30)24-12-1-2-13-24)10-5-11-21(29)27-17-7-9-19(27)23(31)25-14-3-4-15-25/h18-19H,1-17H2/t18-,19?/m0/s1
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n/an/a 48n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prolyl oligopeptidase (POP) from pig brain ;value ranges from (38-62)

J Med Chem 45: 4581-4 (2002)


BindingDB Entry DOI: 10.7270/Q22R3R02
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)		BDBM50118914
PNG
(CHEMBL343739 | Phenyl-[(S)-2-(pyrrolidine-1-carbon...)
Show SMILES O=C([C@@H]1CCCN1C(=O)c1ccccc1)N1CCCC1
Show InChI InChI=1S/C16H20N2O2/c19-15(13-7-2-1-3-8-13)18-12-6-9-14(18)16(20)17-10-4-5-11-17/h1-3,7-8,14H,4-6,9-12H2/t14-/m0/s1
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n/an/a 66n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prolyl oligopeptidase (POP) from pig brain ;value ranges from (38-110)

J Med Chem 45: 4581-4 (2002)


BindingDB Entry DOI: 10.7270/Q22R3R02
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)		BDBM50118916
PNG
(1,6-Bis-[2-(pyrrolidine-1-carbonyl)-pyrrolidin-1-y...)
Show SMILES O=C(CCCCC(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCCC1C(=O)N1CCCC1
Show InChI InChI=1S/C24H38N4O4/c29-21(27-17-7-9-19(27)23(31)25-13-3-4-14-25)11-1-2-12-22(30)28-18-8-10-20(28)24(32)26-15-5-6-16-26/h19-20H,1-18H2/t19-,20?/m0/s1
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n/an/a 68n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prolyl oligopeptidase (POP) from pig brain ;value ranges from (44-110)

J Med Chem 45: 4581-4 (2002)


BindingDB Entry DOI: 10.7270/Q22R3R02
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)		BDBM50118915
PNG
(1,4-Bis-[2-(pyrrolidine-1-carbonyl)-pyrrolidin-1-y...)
Show SMILES O=C(CCC(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCCC1C(=O)N1CCCC1
Show InChI InChI=1S/C22H34N4O4/c27-19(25-15-5-7-17(25)21(29)23-11-1-2-12-23)9-10-20(28)26-16-6-8-18(26)22(30)24-13-3-4-14-24/h17-18H,1-16H2/t17-,18?/m0/s1
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n/an/a 77n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prolyl oligopeptidase (POP) from pig brain ;value ranges from (59 - 100)

J Med Chem 45: 4581-4 (2002)


BindingDB Entry DOI: 10.7270/Q22R3R02
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)		BDBM50118909
PNG
(CHEMBL141871 | {4-[2-(Pyrrolidine-1-carbonyl)-pyrr...)
Show SMILES O=C(C1CCCN1C(=O)c1ccc(cc1)C(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C26H34N4O4/c31-23(29-17-5-7-21(29)25(33)27-13-1-2-14-27)19-9-11-20(12-10-19)24(32)30-18-6-8-22(30)26(34)28-15-3-4-16-28/h9-12,21-22H,1-8,13-18H2/t21-,22?/m0/s1
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n/an/a 81n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prolyl oligopeptidase (POP) from pig brain ;value ranges from (72-92)

J Med Chem 45: 4581-4 (2002)


BindingDB Entry DOI: 10.7270/Q22R3R02
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)		BDBM50118918
PNG
(CHEMBL139770 | {2-[2-(Pyrrolidine-1-carbonyl)-pyrr...)
Show SMILES O=C(C1CCCN1C(=O)c1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C26H34N4O4/c31-23(29-17-7-11-21(29)25(33)27-13-3-4-14-27)19-9-1-2-10-20(19)24(32)30-18-8-12-22(30)26(34)28-15-5-6-16-28/h1-2,9-10,21-22H,3-8,11-18H2/t21-,22?/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prolyl oligopeptidase (POP) from pig brain ;value ranges from (7800-54000)

J Med Chem 45: 4581-4 (2002)


BindingDB Entry DOI: 10.7270/Q22R3R02
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%