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9 similar compounds to monomer 11714

Compile data set for download or QSAR
Wt: 326.3
BDBM11696
Wt: 340.4
BDBM11697
Wt: 358.4
BDBM11699
Wt: 354.4
BDBM11713
Wt: 382.4
BDBM11715
Wt: 368.4
BDBM11716
Wt: 386.4
BDBM11717
Wt: 326.3
BDBM12182
Wt: 269.3
BDBM50265118

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 11696,11697,11699,11713,11715,11716,11717,12182,50265118   
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 VIII


(Homo sapiens (Human))
BDBM12182
PNG
((2S)-1-[(2S)-2-amino-4-oxo-4-(1,2,3,4-tetrahydrois...)
Show SMILES N[C@@H](CC(=O)N1CCc2ccccc2C1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C18H22N4O2/c19-11-15-6-3-8-22(15)18(24)16(20)10-17(23)21-9-7-13-4-1-2-5-14(13)12-21/h1-2,4-5,15-16H,3,6-10,12,20H2/t15-,16-/m0/s1
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n/an/a 19n/an/an/an/a8.037



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...


Bioorg Med Chem Lett 15: 687-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.023
BindingDB Entry DOI: 10.7270/Q2XG9PDW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(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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n/an/a 3.30E+3n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of human DPP4 expressed in baculovirus system


Eur J Med Chem 43: 1603-11 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.014
BindingDB Entry DOI: 10.7270/Q2V69JCD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12182
PNG
((2S)-1-[(2S)-2-amino-4-oxo-4-(1,2,3,4-tetrahydrois...)
Show SMILES N[C@@H](CC(=O)N1CCc2ccccc2C1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C18H22N4O2/c19-11-15-6-3-8-22(15)18(24)16(20)10-17(23)21-9-7-13-4-1-2-5-14(13)12-21/h1-2,4-5,15-16H,3,6-10,12,20H2/t15-,16-/m0/s1
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n/an/a 3.13E+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 15: 687-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.023
BindingDB Entry DOI: 10.7270/Q2XG9PDW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(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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n/an/a 3.24E+3n/an/an/an/a8.037



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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 4


(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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n/an/a 116n/an/an/an/a8.037



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 4


(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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n/an/a 83n/an/an/an/a8.037



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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 4


(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 428n/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 4


(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 811n/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 4


(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 49n/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 4


(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 30n/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 VIII


(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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n/an/a 4.17E+3n/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 VIII


(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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n/an/a 3.58E+3n/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 VIII


(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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n/an/a 1.70E+3n/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 VIII


(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 1.41E+3n/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 VIII


(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 4.19E+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 VIII


(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>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 VIII


(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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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))
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
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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n/an/a>1.00E+5n/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))
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



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))
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



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))
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



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))
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



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 4


(Homo sapiens (Human))
BDBM12182
PNG
((2S)-1-[(2S)-2-amino-4-oxo-4-(1,2,3,4-tetrahydrois...)
Show SMILES N[C@@H](CC(=O)N1CCc2ccccc2C1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C18H22N4O2/c19-11-15-6-3-8-22(15)18(24)16(20)10-17(23)21-9-7-13-4-1-2-5-14(13)12-21/h1-2,4-5,15-16H,3,6-10,12,20H2/t15-,16-/m0/s1
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n/an/a 99n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dipeptidyl-peptidase IV [DPP-IV]


Bioorg Med Chem Lett 15: 3271-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.051
BindingDB Entry DOI: 10.7270/Q2RF5TJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM12182
PNG
((2S)-1-[(2S)-2-amino-4-oxo-4-(1,2,3,4-tetrahydrois...)
Show SMILES N[C@@H](CC(=O)N1CCc2ccccc2C1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C18H22N4O2/c19-11-15-6-3-8-22(15)18(24)16(20)10-17(23)21-9-7-13-4-1-2-5-14(13)12-21/h1-2,4-5,15-16H,3,6-10,12,20H2/t15-,16-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dipeptidyl-peptidase 8


Bioorg Med Chem Lett 15: 3271-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.051
BindingDB Entry DOI: 10.7270/Q2RF5TJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50265118
PNG
((S)-1-(2-(3,4-dihydroisoquinolin-2(1H)-yl)acetyl)p...)
Show SMILES O=C(CN1CCc2ccccc2C1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C16H19N3O/c17-10-15-6-3-8-19(15)16(20)12-18-9-7-13-4-1-2-5-14(13)11-18/h1-2,4-5,15H,3,6-9,11-12H2/t15-/m0/s1
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n/an/a 3.90E+5n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibition of human DPP4 expressed in baculovirus system


Eur J Med Chem 43: 1603-11 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.014
BindingDB Entry DOI: 10.7270/Q2V69JCD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM12182
PNG
((2S)-1-[(2S)-2-amino-4-oxo-4-(1,2,3,4-tetrahydrois...)
Show SMILES N[C@@H](CC(=O)N1CCc2ccccc2C1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C18H22N4O2/c19-11-15-6-3-8-22(15)18(24)16(20)10-17(23)21-9-7-13-4-1-2-5-14(13)12-21/h1-2,4-5,15-16H,3,6-10,12,20H2/t15-,16-/m0/s1
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n/an/a 63n/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 15: 687-91 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.023
BindingDB Entry DOI: 10.7270/Q2XG9PDW
More data for this
Ligand-Target Pair