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Compile Data Set for Download or QSAR

Found 47 hits of Enz. Inhib. data with enzyme = 'Dipeptidyl peptidase 2 (DPP II)' and Substrate = 'BDBM11526'   
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
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11704
PNG
((2S)-1-[2-({3-[4-(1,3-benzothiazol-2-yl)piperazin-...)
Show SMILES O=C(CNCCC(=O)N1CCN(CC1)c1nc2ccccc2s1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C21H26N6O2S/c22-14-16-4-3-9-27(16)20(29)15-23-8-7-19(28)25-10-12-26(13-11-25)21-24-17-5-1-2-6-18(17)30-21/h1-2,5-6,16,23H,3-4,7-13,15H2/t16-/m0/s1
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n/an/a 6.45E+3n/an/an/an/an/an/a



National Health Research Institutes



Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11702
PNG
((2S)-Cyanopyrrolidine analogue 18f | 1-[3-[2-[2-Cy...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CCNCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C22H30N6O5S/c1-17(29)25-18-4-6-20(7-5-18)34(32,33)27-13-11-26(12-14-27)21(30)8-9-24-16-22(31)28-10-2-3-19(28)15-23/h4-7,19,24H,2-3,8-14,16H2,1H3,(H,25,29)/t19-/m0/s1
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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11705
PNG
((2S)-Cyanopyrrolidine analogue 18i | CHEMBL382907 ...)
Show SMILES O=C(CCNCC(=O)N1CCC[C@H]1C#N)NCc1ccccc1
Show InChI InChI=1S/C17H22N4O2/c18-11-15-7-4-10-21(15)17(23)13-19-9-8-16(22)20-12-14-5-2-1-3-6-14/h1-3,5-6,15,19H,4,7-10,12-13H2,(H,20,22)/t15-/m0/s1
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n/an/a 1.74E+4n/an/an/an/an/an/a



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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11703
PNG
((2S)-Cyanopyrrolidine analogue 18g | 1-{4-[3-({2-[...)
Show SMILES O=C(CNCCC(=O)N1CCN(CC1)N1CC=CC(=C1)C#N)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H27N7O2/c21-13-17-3-1-7-26(16-17)25-11-9-24(10-12-25)19(28)5-6-23-15-20(29)27-8-2-4-18(27)14-22/h1,3,16,18,23H,2,4-12,15H2/t18-/m0/s1
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n/an/a 1.81E+4n/an/an/an/an/an/a



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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11714
PNG
((2S)-1-(2-{[(2S)-4-oxo-4-(1,2,3,4-tetrahydroisoqui...)
Show SMILES C[C@@H](CC(=O)N1CCc2ccccc2C1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H26N4O2/c1-15(22-13-20(26)24-9-4-7-18(24)12-21)11-19(25)23-10-8-16-5-2-3-6-17(16)14-23/h2-3,5-6,15,18,22H,4,7-11,13-14H2,1H3/t15-,18-/m0/s1
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n/an/a 1.89E+4n/an/an/an/an/an/a



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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12177
PNG
(2-{[(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carbon...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)C(=O)N1Cc2ccccc2C1
Show InChI InChI=1S/C18H21F2N3O2/c19-18(20)5-6-22(11-18)17(25)15-7-14(8-21-15)16(24)23-9-12-3-1-2-4-13(12)10-23/h1-4,14-15,21H,5-11H2/t14-,15-/m0/s1
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n/an/a 1.93E+4n/an/an/an/an/an/a



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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 16: 3268-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.037
BindingDB Entry DOI: 10.7270/Q22805V8
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12174
PNG
(3-{[(2S,4S)-4-(2,3-dihydro-1H-isoindol-2-ylcarbony...)
Show SMILES O=C([C@@H]1CN[C@@H](C1)C(=O)N1CCSC1)N1Cc2ccccc2C1
Show InChI InChI=1S/C17H21N3O2S/c21-16(20-9-12-3-1-2-4-13(12)10-20)14-7-15(18-8-14)17(22)19-5-6-23-11-19/h1-4,14-15,18H,5-11H2/t14-,15-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 16: 3268-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.037
BindingDB Entry DOI: 10.7270/Q22805V8
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12175
PNG
(2-{[(3S,5S)-5-{[(3S)-3-fluoropyrrolidin-1-yl]carbo...)
Show SMILES F[C@H]1CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)C(=O)N1Cc2ccccc2C1
Show InChI InChI=1S/C18H22FN3O2/c19-15-5-6-21(11-15)18(24)16-7-14(8-20-16)17(23)22-9-12-3-1-2-4-13(12)10-22/h1-4,14-16,20H,5-11H2/t14-,15-,16-/m0/s1
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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 16: 3268-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.037
BindingDB Entry DOI: 10.7270/Q22805V8
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11162
PNG
((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 16: 3268-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.037
BindingDB Entry DOI: 10.7270/Q22805V8
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12172
PNG
((3S,5S)-N-benzyl-5-(pyrrolidin-1-ylcarbonyl)pyrrol...)
Show SMILES O=C(NCc1ccccc1)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1
Show InChI InChI=1S/C17H23N3O2/c21-16(19-11-13-6-2-1-3-7-13)14-10-15(18-12-14)17(22)20-8-4-5-9-20/h1-3,6-7,14-15,18H,4-5,8-12H2,(H,19,21)/t14-,15-/m0/s1
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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 16: 3268-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.037
BindingDB Entry DOI: 10.7270/Q22805V8
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12171
PNG
((3S,5S)-N-phenyl-5-(pyrrolidin-1-ylcarbonyl)pyrrol...)
Show SMILES O=C(Nc1ccccc1)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1
Show InChI InChI=1S/C16H21N3O2/c20-15(18-13-6-2-1-3-7-13)12-10-14(17-11-12)16(21)19-8-4-5-9-19/h1-3,6-7,12,14,17H,4-5,8-11H2,(H,18,20)/t12-,14-/m0/s1
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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 16: 3268-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.037
BindingDB Entry DOI: 10.7270/Q22805V8
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12170
PNG
(5,6-dichloro-2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbony...)
Show SMILES Clc1cc2CN(Cc2cc1Cl)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1
Show InChI InChI=1S/C18H21Cl2N3O2/c19-14-5-12-9-23(10-13(12)6-15(14)20)17(24)11-7-16(21-8-11)18(25)22-3-1-2-4-22/h5-6,11,16,21H,1-4,7-10H2/t11-,16-/m0/s1
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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 16: 3268-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.037
BindingDB Entry DOI: 10.7270/Q22805V8
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12169
PNG
(5-methyl-2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbonyl)py...)
Show SMILES Cc1ccc2CN(Cc2c1)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1
Show InChI InChI=1S/C19H25N3O2/c1-13-4-5-14-11-22(12-16(14)8-13)18(23)15-9-17(20-10-15)19(24)21-6-2-3-7-21/h4-5,8,15,17,20H,2-3,6-7,9-12H2,1H3/t15-,17-/m0/s1
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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 16: 3268-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.037
BindingDB Entry DOI: 10.7270/Q22805V8
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12168
PNG
(2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbonyl)pyrrolidin-...)
Show SMILES FC(F)(F)c1ccc2CN(Cc2c1)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1
Show InChI InChI=1S/C19H22F3N3O2/c20-19(21,22)15-4-3-12-10-25(11-14(12)7-15)17(26)13-8-16(23-9-13)18(27)24-5-1-2-6-24/h3-4,7,13,16,23H,1-2,5-6,8-11H2/t13-,16-/m0/s1
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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 16: 3268-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.037
BindingDB Entry DOI: 10.7270/Q22805V8
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12167
PNG
(5-chloro-2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbonyl)py...)
Show SMILES Clc1ccc2CN(Cc2c1)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1
Show InChI InChI=1S/C18H22ClN3O2/c19-15-4-3-12-10-22(11-14(12)7-15)17(23)13-8-16(20-9-13)18(24)21-5-1-2-6-21/h3-4,7,13,16,20H,1-2,5-6,8-11H2/t13-,16-/m0/s1
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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 16: 3268-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.037
BindingDB Entry DOI: 10.7270/Q22805V8
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12166
PNG
(5-fluoro-2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbonyl)py...)
Show SMILES Fc1ccc2CN(Cc2c1)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1
Show InChI InChI=1S/C18H22FN3O2/c19-15-4-3-12-10-22(11-14(12)7-15)17(23)13-8-16(20-9-13)18(24)21-5-1-2-6-21/h3-4,7,13,16,20H,1-2,5-6,8-11H2/t13-,16-/m0/s1
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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 16: 3268-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.037
BindingDB Entry DOI: 10.7270/Q22805V8
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12165
PNG
(2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbonyl)pyrrolidin-...)
Show SMILES O=C([C@@H]1CN[C@@H](C1)C(=O)N1CCCC1)N1Cc2ccccc2C1
Show InChI InChI=1S/C18H23N3O2/c22-17(21-11-13-5-1-2-6-14(13)12-21)15-9-16(19-10-15)18(23)20-7-3-4-8-20/h1-2,5-6,15-16,19H,3-4,7-12H2/t15-,16-/m0/s1
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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 16: 3268-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.037
BindingDB Entry DOI: 10.7270/Q22805V8
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11695
PNG
((2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}p...)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1
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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 16: 3268-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.037
BindingDB Entry DOI: 10.7270/Q22805V8
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11719
PNG
((2S)-1-(2-{[4-(2,3-dihydro-1H-isoindol-2-yl)-2-met...)
Show SMILES CC(C)(CC(=O)N1Cc2ccccc2C1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H26N4O2/c1-20(2,22-12-19(26)24-9-5-8-17(24)11-21)10-18(25)23-13-15-6-3-4-7-16(15)14-23/h3-4,6-7,17,22H,5,8-10,12-14H2,1-2H3/t17-/m0/s1
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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 16: 3268-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.037
BindingDB Entry DOI: 10.7270/Q22805V8
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12179
PNG
((2S)-1-{[(2S,4S)-4-(2,3-dihydro-1H-isoindol-2-ylca...)
Show SMILES CC1(C)N[C@@H](C[C@@H]1C(=O)N1Cc2ccccc2C1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C21H26N4O2/c1-21(2)17(19(26)24-12-14-6-3-4-7-15(14)13-24)10-18(23-21)20(27)25-9-5-8-16(25)11-22/h3-4,6-7,16-18,23H,5,8-10,12-13H2,1-2H3/t16-,17+,18-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 16: 3268-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.037
BindingDB Entry DOI: 10.7270/Q22805V8
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12173
PNG
((3S,5S)-N-(2-phenylethyl)-5-(pyrrolidin-1-ylcarbon...)
Show SMILES O=C(NCCc1ccccc1)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1
Show InChI InChI=1S/C18H25N3O2/c22-17(19-9-8-14-6-2-1-3-7-14)15-12-16(20-13-15)18(23)21-10-4-5-11-21/h1-3,6-7,15-16,20H,4-5,8-13H2,(H,19,22)/t15-,16-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 16: 3268-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.037
BindingDB Entry DOI: 10.7270/Q22805V8
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12176
PNG
(2-{[(3S,5S)-5-{[(3R)-3-fluoropyrrolidin-1-yl]carbo...)
Show SMILES F[C@@H]1CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)C(=O)N1Cc2ccccc2C1
Show InChI InChI=1S/C18H22FN3O2/c19-15-5-6-21(11-15)18(24)16-7-14(8-20-16)17(23)22-9-12-3-1-2-4-13(12)10-22/h1-4,14-16,20H,5-11H2/t14-,15+,16-/m0/s1
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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 16: 3268-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.037
BindingDB Entry DOI: 10.7270/Q22805V8
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12178
PNG
((2S)-1-{[(2S,4S)-4-(2,3-dihydro-1H-isoindol-2-ylca...)
Show SMILES O=C([C@@H]1CN[C@@H](C1)C(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1
Show InChI InChI=1S/C19H22N4O2/c20-9-16-6-3-7-23(16)19(25)17-8-15(10-21-17)18(24)22-11-13-4-1-2-5-14(13)12-22/h1-2,4-5,15-17,21H,3,6-8,10-12H2/t15-,16-,17-/m0/s1
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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 16: 3268-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.037
BindingDB Entry DOI: 10.7270/Q22805V8
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11711
PNG
((2S)-Cyanopyrrolidine analogue 18o | 3-({2-[(2S)-2...)
Show SMILES O=C(CCNCC(=O)N1CCC[C@H]1C#N)NCCc1ccccc1
Show InChI InChI=1S/C18H24N4O2/c19-13-16-7-4-12-22(16)18(24)14-20-10-9-17(23)21-11-8-15-5-2-1-3-6-15/h1-3,5-6,16,20H,4,7-12,14H2,(H,21,23)/t16-/m0/s1
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n/an/a 2.07E+4n/an/an/an/an/an/a



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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11113
PNG
(6-{[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl...)
Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1CCC[C@H]1C#N
Show InChI InChI=1S/C15H18N6O/c16-8-12-3-4-14(20-10-12)19-6-5-18-11-15(22)21-7-1-2-13(21)9-17/h3-4,10,13,18H,1-2,5-7,11H2,(H,19,20)/t13-/m0/s1
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n/an/a 2.65E+4n/an/an/an/an/an/a



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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11709
PNG
((2S)-Cyanopyrrolidine analogue 18m | 3-({2-[(2S)-2...)
Show SMILES CC(C)C(NC(=O)CCNCC(=O)N1CCC[C@H]1C#N)c1ccccc1
Show InChI InChI=1S/C20H28N4O2/c1-15(2)20(16-7-4-3-5-8-16)23-18(25)10-11-22-14-19(26)24-12-6-9-17(24)13-21/h3-5,7-8,15,17,20,22H,6,9-12,14H2,1-2H3,(H,23,25)/t17-,20?/m0/s1
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n/an/a 2.93E+4n/an/an/an/an/an/a



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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11718
PNG
((2S)-1-(2-{[4-(6,8-difluoro-1,2,3,4-tetrahydroisoq...)
Show SMILES CC(C)(CC(=O)N1CCc2cc(F)cc(F)c2C1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C21H26F2N4O2/c1-21(2,25-12-20(29)27-6-3-4-16(27)11-24)10-19(28)26-7-5-14-8-15(22)9-18(23)17(14)13-26/h8-9,16,25H,3-7,10,12-13H2,1-2H3/t16-/m0/s1
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n/an/a 3.12E+4n/an/an/an/an/an/a



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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11713
PNG
((2S)-1-(2-{[4-oxo-4-(1,2,3,4-tetrahydroisoquinolin...)
Show SMILES O=C(CNCCCC(=O)N1CCc2ccccc2C1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H26N4O2/c21-13-18-7-4-11-24(18)20(26)14-22-10-3-8-19(25)23-12-9-16-5-1-2-6-17(16)15-23/h1-2,5-6,18,22H,3-4,7-12,14-15H2/t18-/m0/s1
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n/an/a 3.12E+4n/an/an/an/an/an/a



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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11716
PNG
((2S)-1-(2-{[2-methyl-4-oxo-4-(1,2,3,4-tetrahydrois...)
Show SMILES CC(C)(CC(=O)N1CCc2ccccc2C1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C21H28N4O2/c1-21(2,23-14-20(27)25-10-5-8-18(25)13-22)12-19(26)24-11-9-16-6-3-4-7-17(16)15-24/h3-4,6-7,18,23H,5,8-12,14-15H2,1-2H3/t18-/m0/s1
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n/an/a 3.42E+4n/an/an/an/an/an/a



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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11708
PNG
((2S)-Cyanopyrrolidine analogue 18l | 3-({2-[(2S)-2...)
Show SMILES Fc1cc(F)cc(CNC(=O)CCNCC(=O)N2CCC[C@H]2C#N)c1
Show InChI InChI=1S/C17H20F2N4O2/c18-13-6-12(7-14(19)8-13)10-22-16(24)3-4-21-11-17(25)23-5-1-2-15(23)9-20/h6-8,15,21H,1-5,10-11H2,(H,22,24)/t15-/m0/s1
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n/an/a 3.44E+4n/an/an/an/an/an/a



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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11706
PNG
((2S)-Cyanopyrrolidine analogue 18j | 3-({2-[(2S)-2...)
Show SMILES [O-][N+](=O)c1ccc(CNC(=O)CCNCC(=O)N2CCC[C@H]2C#N)cc1
Show InChI InChI=1S/C17H21N5O4/c18-10-15-2-1-9-21(15)17(24)12-19-8-7-16(23)20-11-13-3-5-14(6-4-13)22(25)26/h3-6,15,19H,1-2,7-9,11-12H2,(H,20,23)/t15-/m0/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11694
PNG
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/m0/s1
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n/an/a 3.99E+4n/an/an/an/an/an/a



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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11717
PNG
((2S)-1-(2-{[4-(6-fluoro-1,2,3,4-tetrahydroisoquino...)
Show SMILES CC(C)(CC(=O)N1CCc2cc(F)ccc2C1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C21H27FN4O2/c1-21(2,24-13-20(28)26-8-3-4-18(26)12-23)11-19(27)25-9-7-15-10-17(22)6-5-16(15)14-25/h5-6,10,18,24H,3-4,7-9,11,13-14H2,1-2H3/t18-/m0/s1
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n/an/a 5.01E+4n/an/an/an/an/an/a



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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11712
PNG
((2S)-Cyanopyrrolidine analogue 18p | 3-({2-[(2S)-2...)
Show SMILES O=C(CCNCC(=O)N1CCC[C@H]1C#N)Nc1ccccc1
Show InChI InChI=1S/C16H20N4O2/c17-11-14-7-4-10-20(14)16(22)12-18-9-8-15(21)19-13-5-2-1-3-6-13/h1-3,5-6,14,18H,4,7-10,12H2,(H,19,21)/t14-/m0/s1
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n/an/a 5.72E+4n/an/an/an/an/an/a



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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11464
PNG
((2S,3S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)p...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N1CCSC1
Show InChI InChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7-,8-/m0/s1
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n/an/a 6.90E+4n/an/an/an/an/an/a



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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11719
PNG
((2S)-1-(2-{[4-(2,3-dihydro-1H-isoindol-2-yl)-2-met...)
Show SMILES CC(C)(CC(=O)N1Cc2ccccc2C1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H26N4O2/c1-20(2,22-12-19(26)24-9-5-8-17(24)11-21)10-18(25)23-13-15-6-3-4-7-16(15)14-23/h3-4,6-7,17,22H,5,8-10,12-14H2,1-2H3/t17-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11715
PNG
((2S)-1-(2-{[(3R)-4-methyl-1-oxo-1-(1,2,3,4-tetrahy...)
Show SMILES CC(C)[C@@H](CC(=O)N1CCc2ccccc2C1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C22H30N4O2/c1-16(2)20(24-14-22(28)26-10-5-8-19(26)13-23)12-21(27)25-11-9-17-6-3-4-7-18(17)15-25/h3-4,6-7,16,19-20,24H,5,8-12,14-15H2,1-2H3/t19-,20+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11710
PNG
((2S)-Cyanopyrrolidine analogue 18n | 3-({2-[(2S)-2...)
Show SMILES CC(C)(NC(=O)CCNCC(=O)N1CCC[C@H]1C#N)c1ccccc1
Show InChI InChI=1S/C19H26N4O2/c1-19(2,15-7-4-3-5-8-15)22-17(24)10-11-21-14-18(25)23-12-6-9-16(23)13-20/h3-5,7-8,16,21H,6,9-12,14H2,1-2H3,(H,22,24)/t16-/m0/s1
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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11707
PNG
((2S)-Cyanopyrrolidine analogue 18k | 3-({2-[(2S)-2...)
Show SMILES CCC(NC(=O)CCNCC(=O)N1CCC[C@H]1C#N)c1ccccc1
Show InChI InChI=1S/C19H26N4O2/c1-2-17(15-7-4-3-5-8-15)22-18(24)10-11-21-14-19(25)23-12-6-9-16(23)13-20/h3-5,7-8,16-17,21H,2,6,9-12,14H2,1H3,(H,22,24)/t16-,17?/m0/s1
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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11701
PNG
((2S)-1-{2-[(3-{4-[(3,5-difluorophenyl)carbonyl]pip...)
Show SMILES Fc1cc(F)cc(c1)C(=O)N1CCN(CC1)C(=O)CCNCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C21H25F2N5O3/c22-16-10-15(11-17(23)12-16)21(31)27-8-6-26(7-9-27)19(29)3-4-25-14-20(30)28-5-1-2-18(28)13-24/h10-12,18,25H,1-9,14H2/t18-/m0/s1
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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11700
PNG
((2S)-1-(2-{[3-(2,3-dihydro-1H-isoindol-2-yl)-3-oxo...)
Show SMILES O=C(CCNCC(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1
Show InChI InChI=1S/C18H22N4O2/c19-10-16-6-3-9-22(16)18(24)11-20-8-7-17(23)21-12-14-4-1-2-5-15(14)13-21/h1-2,4-5,16,20H,3,6-9,11-13H2/t16-/m0/s1
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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11699
PNG
((2S)-1-(2-{[3-(6-fluoro-1,2,3,4-tetrahydroisoquino...)
Show SMILES Fc1ccc2CN(CCc2c1)C(=O)CCNCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H23FN4O2/c20-16-4-3-15-13-23(9-6-14(15)10-16)18(25)5-7-22-12-19(26)24-8-1-2-17(24)11-21/h3-4,10,17,22H,1-2,5-9,12-13H2/t17-/m0/s1
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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11698
PNG
((2S)-1-(2-{[3-(6,7-dimethoxy-1,2,3,4-tetrahydroiso...)
Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)CCNCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C21H28N4O4/c1-28-18-10-15-6-9-24(14-16(15)11-19(18)29-2)20(26)5-7-23-13-21(27)25-8-3-4-17(25)12-22/h10-11,17,23H,3-9,13-14H2,1-2H3/t17-/m0/s1
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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11720
PNG
((2S)-Cyanopyrrolidine analogue 21e | 3-({2-[(2S)-2...)
Show SMILES CC(C)(CC(=O)NC(C)(C)c1ccccc1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C21H30N4O2/c1-20(2,23-15-19(27)25-12-8-11-17(25)14-22)13-18(26)24-21(3,4)16-9-6-5-7-10-16/h5-7,9-10,17,23H,8,11-13,15H2,1-4H3,(H,24,26)/t17-/m0/s1
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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11696
PNG
((2S)-1-(2-{[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin...)
Show SMILES O=C(CNCC(=O)N1CCc2ccccc2C1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C18H22N4O2/c19-10-16-6-3-8-22(16)18(24)12-20-11-17(23)21-9-7-14-4-1-2-5-15(14)13-21/h1-2,4-5,16,20H,3,6-9,11-13H2/t16-/m0/s1
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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11695
PNG
((2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}p...)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1
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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM11697
PNG
((2S)-1-(2-{[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin...)
Show SMILES O=C(CNCCC(=O)N1CCc2ccccc2C1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H24N4O2/c20-12-17-6-3-10-23(17)19(25)13-21-9-7-18(24)22-11-8-15-4-1-2-5-16(15)14-22/h1-2,4-5,17,21H,3,6-11,13-14H2/t17-/m0/s1
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Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair