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Articleid 50029952

Compile data set for download or QSAR
Found 19 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


(Rattus norvegicus)
BDBM50240495
PNG
((R)-1-(4-(pyrrolidine-1-carbonyl)thiazolidin-3-yl)...)
Show SMILES CCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C16H28N2O2S/c1-2-3-4-5-6-9-15(19)18-13-21-12-14(18)16(20)17-10-7-8-11-17/h14H,2-13H2,1H3/t14-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain Prolyl endopeptidase (PEP)


Bioorg Med Chem Lett 7: 1701-1704 (1997)


Article DOI: 10.1016/S0960-894X(97)00295-3
BindingDB Entry DOI: 10.7270/Q2BP02SR
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Rattus norvegicus)
BDBM50289645
PNG
(1-[(R)-4-(Pyrrolidine-1-carbonyl)-thiazolidin-3-yl...)
Show SMILES CCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C15H26N2O2S/c1-2-3-4-5-8-14(18)17-12-20-11-13(17)15(19)16-9-6-7-10-16/h13H,2-12H2,1H3/t13-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain Prolyl endopeptidase (PEP)


Bioorg Med Chem Lett 7: 1701-1704 (1997)


Article DOI: 10.1016/S0960-894X(97)00295-3
BindingDB Entry DOI: 10.7270/Q2BP02SR
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Rattus norvegicus)
BDBM50240498
PNG
((S)-1-(2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl)o...)
Show SMILES CCCCCCCC(=O)N1CCC[C@H]1C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C17H30N2O2/c1-2-3-4-5-6-11-16(20)19-14-9-10-15(19)17(21)18-12-7-8-13-18/h15H,2-14H2,1H3/t15-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain Prolyl endopeptidase (PEP)


Bioorg Med Chem Lett 7: 1701-1704 (1997)


Article DOI: 10.1016/S0960-894X(97)00295-3
BindingDB Entry DOI: 10.7270/Q2BP02SR
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Rattus norvegicus)
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 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain Prolyl endopeptidase (PEP)


Bioorg Med Chem Lett 7: 1701-1704 (1997)


Article DOI: 10.1016/S0960-894X(97)00295-3
BindingDB Entry DOI: 10.7270/Q2BP02SR
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Rattus norvegicus)
BDBM50289634
PNG
((E)-1-[(S)-2-(Pyrrolidine-1-carbonyl)-pyrrolidin-1...)
Show SMILES CCCCC\C=C\C(=O)N1CCC[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C17H28N2O2/c1-2-3-4-5-6-11-16(20)19-14-9-10-15(19)17(21)18-12-7-8-13-18/h6,11,15H,2-5,7-10,12-14H2,1H3/b11-6+/t15-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain Prolyl endopeptidase (PEP)


Bioorg Med Chem Lett 7: 1701-1704 (1997)


Article DOI: 10.1016/S0960-894X(97)00295-3
BindingDB Entry DOI: 10.7270/Q2BP02SR
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Rattus norvegicus)
BDBM50289636
PNG
(1-[(R)-4-(Pyrrolidine-1-carbonyl)-thiazolidin-3-yl...)
Show SMILES CCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C13H22N2O2S/c1-2-3-6-12(16)15-10-18-9-11(15)13(17)14-7-4-5-8-14/h11H,2-10H2,1H3/t11-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain Prolyl endopeptidase (PEP)


Bioorg Med Chem Lett 7: 1701-1704 (1997)


Article DOI: 10.1016/S0960-894X(97)00295-3
BindingDB Entry DOI: 10.7270/Q2BP02SR
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Rattus norvegicus)
BDBM50289643
PNG
(1-[(R)-4-(Pyrrolidine-1-carbonyl)-thiazolidin-3-yl...)
Show SMILES CCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C14H24N2O2S/c1-2-3-4-7-13(17)16-11-19-10-12(16)14(18)15-8-5-6-9-15/h12H,2-11H2,1H3/t12-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain Prolyl endopeptidase (PEP)


Bioorg Med Chem Lett 7: 1701-1704 (1997)


Article DOI: 10.1016/S0960-894X(97)00295-3
BindingDB Entry DOI: 10.7270/Q2BP02SR
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Rattus norvegicus)
BDBM50289642
PNG
(1-[(R)-4-(Pyrrolidine-1-carbonyl)-thiazolidin-3-yl...)
Show SMILES CCCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C17H30N2O2S/c1-2-3-4-5-6-7-10-16(20)19-14-22-13-15(19)17(21)18-11-8-9-12-18/h15H,2-14H2,1H3/t15-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain Prolyl endopeptidase (PEP)


Bioorg Med Chem Lett 7: 1701-1704 (1997)


Article DOI: 10.1016/S0960-894X(97)00295-3
BindingDB Entry DOI: 10.7270/Q2BP02SR
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Rattus norvegicus)
BDBM50289637
PNG
(1-[(R)-4-(Pyrrolidine-1-carbonyl)-thiazolidin-3-yl...)
Show SMILES CCCCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C18H32N2O2S/c1-2-3-4-5-6-7-8-11-17(21)20-15-23-14-16(20)18(22)19-12-9-10-13-19/h16H,2-15H2,1H3/t16-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain Prolyl endopeptidase (PEP)


Bioorg Med Chem Lett 7: 1701-1704 (1997)


Article DOI: 10.1016/S0960-894X(97)00295-3
BindingDB Entry DOI: 10.7270/Q2BP02SR
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Rattus norvegicus)
BDBM50289639
PNG
(1-[(R)-4-(Pyrrolidine-1-carbonyl)-thiazolidin-3-yl...)
Show SMILES CCCCCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C19H34N2O2S/c1-2-3-4-5-6-7-8-9-12-18(22)21-16-24-15-17(21)19(23)20-13-10-11-14-20/h17H,2-16H2,1H3/t17-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain Prolyl endopeptidase (PEP)


Bioorg Med Chem Lett 7: 1701-1704 (1997)


Article DOI: 10.1016/S0960-894X(97)00295-3
BindingDB Entry DOI: 10.7270/Q2BP02SR
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Rattus norvegicus)
BDBM50289638
PNG
(1-[(R)-4-(Pyrrolidine-1-carbonyl)-thiazolidin-3-yl...)
Show SMILES CCCCCCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C20H36N2O2S/c1-2-3-4-5-6-7-8-9-10-13-19(23)22-17-25-16-18(22)20(24)21-14-11-12-15-21/h18H,2-17H2,1H3/t18-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain Prolyl endopeptidase (PEP)


Bioorg Med Chem Lett 7: 1701-1704 (1997)


Article DOI: 10.1016/S0960-894X(97)00295-3
BindingDB Entry DOI: 10.7270/Q2BP02SR
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Rattus norvegicus)
BDBM50289646
PNG
((E)-2-Methyl-1-[(S)-2-(pyrrolidine-1-carbonyl)-pyr...)
Show SMILES CCCCC\C=C(/C)C(=O)N1CCC[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C18H30N2O2/c1-3-4-5-6-10-15(2)17(21)20-14-9-11-16(20)18(22)19-12-7-8-13-19/h10,16H,3-9,11-14H2,1-2H3/b15-10+/t16-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain Prolyl endopeptidase (PEP)


Bioorg Med Chem Lett 7: 1701-1704 (1997)


Article DOI: 10.1016/S0960-894X(97)00295-3
BindingDB Entry DOI: 10.7270/Q2BP02SR
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Rattus norvegicus)
BDBM50289633
PNG
(1-[(R)-4-(Pyrrolidine-1-carbonyl)-thiazolidin-3-yl...)
Show SMILES CCCCCCCCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C22H40N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-15-21(25)24-19-27-18-20(24)22(26)23-16-13-14-17-23/h20H,2-19H2,1H3/t20-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain Prolyl endopeptidase (PEP)


Bioorg Med Chem Lett 7: 1701-1704 (1997)


Article DOI: 10.1016/S0960-894X(97)00295-3
BindingDB Entry DOI: 10.7270/Q2BP02SR
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Rattus norvegicus)
BDBM50289644
PNG
((E)-1-[(R)-4-(Pyrrolidine-1-carbonyl)-thiazolidin-...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C26H46N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25(29)28-23-31-22-24(28)26(30)27-20-17-18-21-27/h9-10,24H,2-8,11-23H2,1H3/b10-9-/t24-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain Prolyl endopeptidase (PEP)


Bioorg Med Chem Lett 7: 1701-1704 (1997)


Article DOI: 10.1016/S0960-894X(97)00295-3
BindingDB Entry DOI: 10.7270/Q2BP02SR
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Rattus norvegicus)
BDBM50289640
PNG
(1-[(R)-4-(Pyrrolidine-1-carbonyl)-thiazolidin-3-yl...)
Show SMILES CCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C12H20N2O2S/c1-2-5-11(15)14-9-17-8-10(14)12(16)13-6-3-4-7-13/h10H,2-9H2,1H3/t10-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain Prolyl endopeptidase (PEP)


Bioorg Med Chem Lett 7: 1701-1704 (1997)


Article DOI: 10.1016/S0960-894X(97)00295-3
BindingDB Entry DOI: 10.7270/Q2BP02SR
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Rattus norvegicus)
BDBM50289635
PNG
((2E,4E)-2-Methyl-1-[(S)-2-(pyrrolidine-1-carbonyl)...)
Show SMILES CCC\C=C\C=C(/C)C(=O)N1CCC[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C18H28N2O2/c1-3-4-5-6-10-15(2)17(21)20-14-9-11-16(20)18(22)19-12-7-8-13-19/h5-6,10,16H,3-4,7-9,11-14H2,1-2H3/b6-5+,15-10+/t16-/m0/s1
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n/an/a 207n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain Prolyl endopeptidase (PEP)


Bioorg Med Chem Lett 7: 1701-1704 (1997)


Article DOI: 10.1016/S0960-894X(97)00295-3
BindingDB Entry DOI: 10.7270/Q2BP02SR
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Rattus norvegicus)
BDBM50289632
PNG
(1-[(R)-4-(Pyrrolidine-1-carbonyl)-thiazolidin-3-yl...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C24H44N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23(27)26-21-29-20-22(26)24(28)25-18-15-16-19-25/h22H,2-21H2,1H3/t22-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain Prolyl endopeptidase (PEP)


Bioorg Med Chem Lett 7: 1701-1704 (1997)


Article DOI: 10.1016/S0960-894X(97)00295-3
BindingDB Entry DOI: 10.7270/Q2BP02SR
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Rattus norvegicus)
BDBM50289641
PNG
(1-[(R)-4-(Pyrrolidine-1-carbonyl)-thiazolidin-3-yl...)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C26H48N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25(29)28-23-31-22-24(28)26(30)27-20-17-18-21-27/h24H,2-23H2,1H3/t24-/m0/s1
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n/an/a 904n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain Prolyl endopeptidase (PEP)


Bioorg Med Chem Lett 7: 1701-1704 (1997)


Article DOI: 10.1016/S0960-894X(97)00295-3
BindingDB Entry DOI: 10.7270/Q2BP02SR
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Rattus norvegicus)
BDBM50289631
PNG
(1-[(R)-4-(Pyrrolidine-1-carbonyl)-thiazolidin-3-yl...)
Show SMILES CCCCCCCCCCCCCCCCCCCC(=O)N1CSC[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C28H52N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27(31)30-25-33-24-26(30)28(32)29-22-19-20-23-29/h26H,2-25H2,1H3/t26-/m0/s1
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n/an/a 1.16E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rat brain Prolyl endopeptidase (PEP)


Bioorg Med Chem Lett 7: 1701-1704 (1997)


Article DOI: 10.1016/S0960-894X(97)00295-3
BindingDB Entry DOI: 10.7270/Q2BP02SR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%