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PubMed code 14611847

Compile data set for download or QSAR
Found 20 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


(Homo sapiens (Human))		BDBM50135635
PNG
(2-[2-(Isothiazole-3-carbonyl)-pyrrolidine-1-carbon...)
Show SMILES O=C(OCc1ccccc1)N1CCCC1C(=O)N1CCCC1C(=O)c1ccsn1
Show InChI InChI=1S/C21H23N3O4S/c25-19(16-10-13-29-22-16)17-8-4-11-23(17)20(26)18-9-5-12-24(18)21(27)28-14-15-6-2-1-3-7-15/h1-3,6-7,10,13,17-18H,4-5,8-9,11-12,14H2
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 0.260n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135633
PNG
((S)-2-[(S)-2-(5-Benzyloxymethyl-isoxazole-3-carbon...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1
Show InChI InChI=1S/C29H31N3O6/c33-27(24-17-23(38-30-24)20-36-18-21-9-3-1-4-10-21)25-13-7-15-31(25)28(34)26-14-8-16-32(26)29(35)37-19-22-11-5-2-6-12-22/h1-6,9-12,17,25-26H,7-8,13-16,18-20H2/t25-,26-/m0/s1
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 0.280n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135637
PNG
(1-{(S)-2-[(S)-2-(5-Benzyloxymethyl-isoxazole-3-car...)
Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1
Show InChI InChI=1S/C31H35N3O5/c35-29(17-7-14-23-10-3-1-4-11-23)33-18-9-16-28(33)31(37)34-19-8-15-27(34)30(36)26-20-25(39-32-26)22-38-21-24-12-5-2-6-13-24/h1-6,10-13,20,27-28H,7-9,14-19,21-22H2/t27-,28-/m0/s1
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 0.340n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135634
PNG
((S)-2-[(S)-2-(5-Trimethylsilanyl-isoxazole-3-carbo...)
Show SMILES C[Si](C)(C)c1cc(no1)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H31N3O5Si/c1-33(2,3)21-15-18(25-32-21)22(28)19-11-7-13-26(19)23(29)20-12-8-14-27(20)24(30)31-16-17-9-5-4-6-10-17/h4-6,9-10,15,19-20H,7-8,11-14,16H2,1-3H3/t19-,20-/m0/s1
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 0.450n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135630
PNG
((S)-2-[(S)-2-(5-Phenyl-isoxazole-3-carbonyl)-pyrro...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C27H27N3O5/c31-25(21-17-24(35-28-21)20-11-5-2-6-12-20)22-13-7-15-29(22)26(32)23-14-8-16-30(23)27(33)34-18-19-9-3-1-4-10-19/h1-6,9-12,17,22-23H,7-8,13-16,18H2/t22-,23-/m0/s1
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 1.87n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135630
PNG
((S)-2-[(S)-2-(5-Phenyl-isoxazole-3-carbonyl)-pyrro...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C27H27N3O5/c31-25(21-17-24(35-28-21)20-11-5-2-6-12-20)22-13-7-15-29(22)26(32)23-14-8-16-30(23)27(33)34-18-19-9-3-1-4-10-19/h1-6,9-12,17,22-23H,7-8,13-16,18H2/t22-,23-/m0/s1
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 1.90n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135633
PNG
((S)-2-[(S)-2-(5-Benzyloxymethyl-isoxazole-3-carbon...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1
Show InChI InChI=1S/C29H31N3O6/c33-27(24-17-23(38-30-24)20-36-18-21-9-3-1-4-10-21)25-13-7-15-31(25)28(34)26-14-8-16-32(26)29(35)37-19-22-11-5-2-6-12-22/h1-6,9-12,17,25-26H,7-8,13-16,18-20H2/t25-,26-/m0/s1
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 3.30n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135633
PNG
((S)-2-[(S)-2-(5-Benzyloxymethyl-isoxazole-3-carbon...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1
Show InChI InChI=1S/C29H31N3O6/c33-27(24-17-23(38-30-24)20-36-18-21-9-3-1-4-10-21)25-13-7-15-31(25)28(34)26-14-8-16-32(26)29(35)37-19-22-11-5-2-6-12-22/h1-6,9-12,17,25-26H,7-8,13-16,18-20H2/t25-,26-/m0/s1
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 3.30n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of PKD2 ( assessed as residual activity at 1 uM ) by TR-FRET assay

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135633
PNG
((S)-2-[(S)-2-(5-Benzyloxymethyl-isoxazole-3-carbon...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1
Show InChI InChI=1S/C29H31N3O6/c33-27(24-17-23(38-30-24)20-36-18-21-9-3-1-4-10-21)25-13-7-15-31(25)28(34)26-14-8-16-32(26)29(35)37-19-22-11-5-2-6-12-22/h1-6,9-12,17,25-26H,7-8,13-16,18-20H2/t25-,26-/m0/s1
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 4n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135633
PNG
((S)-2-[(S)-2-(5-Benzyloxymethyl-isoxazole-3-carbon...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1
Show InChI InChI=1S/C29H31N3O6/c33-27(24-17-23(38-30-24)20-36-18-21-9-3-1-4-10-21)25-13-7-15-31(25)28(34)26-14-8-16-32(26)29(35)37-19-22-11-5-2-6-12-22/h1-6,9-12,17,25-26H,7-8,13-16,18-20H2/t25-,26-/m0/s1
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 4n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135636
PNG
((S)-2-[(S)-2-(5-Cyano-isoxazole-3-carbonyl)-pyrrol...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)C#N
Show InChI InChI=1S/C22H22N4O5/c23-13-16-12-17(24-31-16)20(27)18-8-4-10-25(18)21(28)19-9-5-11-26(19)22(29)30-14-15-6-2-1-3-7-15/h1-3,6-7,12,18-19H,4-5,8-11,14H2/t18-,19-/m0/s1
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 7.5n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135630
PNG
((S)-2-[(S)-2-(5-Phenyl-isoxazole-3-carbonyl)-pyrro...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C27H27N3O5/c31-25(21-17-24(35-28-21)20-11-5-2-6-12-20)22-13-7-15-29(22)26(32)23-14-8-16-30(23)27(33)34-18-19-9-3-1-4-10-19/h1-6,9-12,17,22-23H,7-8,13-16,18H2/t22-,23-/m0/s1
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 15n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human; Moderately active

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135630
PNG
((S)-2-[(S)-2-(5-Phenyl-isoxazole-3-carbonyl)-pyrro...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C27H27N3O5/c31-25(21-17-24(35-28-21)20-11-5-2-6-12-20)22-13-7-15-29(22)26(32)23-14-8-16-30(23)27(33)34-18-19-9-3-1-4-10-19/h1-6,9-12,17,22-23H,7-8,13-16,18H2/t22-,23-/m0/s1
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 15n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135635
PNG
(2-[2-(Isothiazole-3-carbonyl)-pyrrolidine-1-carbon...)
Show SMILES O=C(OCc1ccccc1)N1CCCC1C(=O)N1CCCC1C(=O)c1ccsn1
Show InChI InChI=1S/C21H23N3O4S/c25-19(16-10-13-29-22-16)17-8-4-11-23(17)20(26)18-9-5-12-24(18)21(27)28-14-15-6-2-1-3-7-15/h1-3,6-7,10,13,17-18H,4-5,8-9,11-12,14H2
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 16n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135634
PNG
((S)-2-[(S)-2-(5-Trimethylsilanyl-isoxazole-3-carbo...)
Show SMILES C[Si](C)(C)c1cc(no1)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H31N3O5Si/c1-33(2,3)21-15-18(25-32-21)22(28)19-11-7-13-26(19)23(29)20-12-8-14-27(20)24(30)31-16-17-9-5-4-6-10-17/h4-6,9-10,15,19-20H,7-8,11-14,16H2,1-3H3/t19-,20-/m0/s1
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 19n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135632
PNG
((S)-2-[(S)-2-(Isoxazole-3-carbonyl)-pyrrolidine-1-...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1ccon1
Show InChI InChI=1S/C21H23N3O5/c25-19(16-10-13-29-22-16)17-8-4-11-23(17)20(26)18-9-5-12-24(18)21(27)28-14-15-6-2-1-3-7-15/h1-3,6-7,10,13,17-18H,4-5,8-9,11-12,14H2/t17-,18-/m0/s1
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 36n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against prolyl oligopeptidase (PO) in human

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135636
PNG
((S)-2-[(S)-2-(5-Cyano-isoxazole-3-carbonyl)-pyrrol...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)C#N
Show InChI InChI=1S/C22H22N4O5/c23-13-16-12-17(24-31-16)20(27)18-8-4-10-25(18)21(28)19-9-5-11-26(19)22(29)30-14-15-6-2-1-3-7-15/h1-3,6-7,12,18-19H,4-5,8-11,14H2/t18-,19-/m0/s1
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 38n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135632
PNG
((S)-2-[(S)-2-(Isoxazole-3-carbonyl)-pyrrolidine-1-...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1ccon1
Show InChI InChI=1S/C21H23N3O5/c25-19(16-10-13-29-22-16)17-8-4-11-23(17)20(26)18-9-5-12-24(18)21(27)28-14-15-6-2-1-3-7-15/h1-3,6-7,10,13,17-18H,4-5,8-9,11-12,14H2/t17-,18-/m0/s1
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 72n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135631
PNG
(3-[(S)-1-((S)-1-Benzyloxycarbonyl-pyrrolidine-2-ca...)
Show SMILES COC(=O)c1onc(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)c1C(=O)OC
Show InChI InChI=1S/C25H27N3O9/c1-34-23(31)18-19(26-37-21(18)24(32)35-2)20(29)16-10-6-12-27(16)22(30)17-11-7-13-28(17)25(33)36-14-15-8-4-3-5-9-15/h3-5,8-9,16-17H,6-7,10-14H2,1-2H3/t16-,17-/m0/s1
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PC cid
PC sid
UniChem

Similars
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi; Moderately active

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))		BDBM50135631
PNG
(3-[(S)-1-((S)-1-Benzyloxycarbonyl-pyrrolidine-2-ca...)
Show SMILES COC(=O)c1onc(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)c1C(=O)OC
Show InChI InChI=1S/C25H27N3O9/c1-34-23(31)18-19(26-37-21(18)24(32)35-2)20(29)16-10-6-12-27(16)22(30)17-11-7-13-28(17)25(33)36-14-15-8-4-3-5-9-15/h3-5,8-9,16-17H,6-7,10-14H2,1-2H3/t16-,17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi

Bioorg Med Chem Lett 13: 2875-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%