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Compile Data Set for Download or QSAR

Found 67 hits of Enz. Inhib. data with enzyme = 'Dipeptidyl peptidase 2 (DPP II)' and Substrate = 'BDBM12196'   
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))
BDBM12437
PNG
(1-Benzyl-N-(2-cyclohexylidene-2-fluoroethyl)-4-pip...)
Show SMILES FC(CNC1CCN(Cc2ccccc2)CC1)=C1CCCCC1
Show InChI InChI=1S/C20H29FN2/c21-20(18-9-5-2-6-10-18)15-22-19-11-13-23(14-12-19)16-17-7-3-1-4-8-17/h1,3-4,7-8,19,22H,2,5-6,9-16H2
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n/an/a 1.04E+3n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12425
PNG
(1-Benzyl-N-(2-cyclopentylidene-2-fluoroethyl)-4-pi...)
Show SMILES FC(CNC1CCN(Cc2ccccc2)CC1)=C1CCCC1
Show InChI InChI=1S/C19H27FN2/c20-19(17-8-4-5-9-17)14-21-18-10-12-22(13-11-18)15-16-6-2-1-3-7-16/h1-3,6-7,18,21H,4-5,8-15H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12455
PNG
(1-Benzyl-N-[2-oxo-2-(1-piperidinyl)ethyl]-4-piperi...)
Show SMILES O=C(CNC1CCN(Cc2ccccc2)CC1)N1CCCCC1
Show InChI InChI=1S/C19H29N3O/c23-19(22-11-5-2-6-12-22)15-20-18-9-13-21(14-10-18)16-17-7-3-1-4-8-17/h1,3-4,7-8,18,20H,2,5-6,9-16H2
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12436
PNG
(9.8j | Fluoro-Olefin Analogue 18 | N-(2-Cyclohexyl...)
Show SMILES FC(CNC1CCNCC1)=C1CCCCC1
Show InChI InChI=1S/C13H23FN2/c14-13(11-4-2-1-3-5-11)10-16-12-6-8-15-9-7-12/h12,15-16H,1-10H2
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12442
PNG
((2H-1,3-benzodioxol-5-ylmethyl)(2-cyclopentylidene...)
Show SMILES C(NCc1ccc2OCOc2c1)C=C1CCCC1
Show InChI InChI=1S/C15H19NO2/c1-2-4-12(3-1)7-8-16-10-13-5-6-14-15(9-13)18-11-17-14/h5-7,9,16H,1-4,8,10-11H2
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n/an/a 7.50E+3n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12434
PNG
((2-cyclohexylidene-2-fluoroethyl)({[3-(trifluorome...)
Show SMILES FC(CNCc1cccc(c1)C(F)(F)F)=C1CCCCC1
Show InChI InChI=1S/C16H19F4N/c17-15(13-6-2-1-3-7-13)11-21-10-12-5-4-8-14(9-12)16(18,19)20/h4-5,8-9,21H,1-3,6-7,10-11H2
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n/an/a 9.60E+3n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12422
PNG
((2-cyclopentylidene-2-fluoroethyl)[(4-fluorophenyl...)
Show SMILES FC(CNCc1ccc(F)cc1)=C1CCCC1
Show InChI InChI=1S/C14H17F2N/c15-13-7-5-11(6-8-13)9-17-10-14(16)12-3-1-2-4-12/h5-8,17H,1-4,9-10H2
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n/an/a 1.08E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12435
PNG
((2-cyclohexylidene-2-fluoroethyl)(2-phenylethyl)am...)
Show SMILES FC(CNCCc1ccccc1)=C1CCCCC1
Show InChI InChI=1S/C16H22FN/c17-16(15-9-5-2-6-10-15)13-18-12-11-14-7-3-1-4-8-14/h1,3-4,7-8,18H,2,5-6,9-13H2
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12438
PNG
(9.8l | Benzyl 4-[(2-cyclohexylidene-2-fluoroethyl)...)
Show SMILES FC(CNC1CCN(CC1)C(=O)OCc1ccccc1)=C1CCCCC1
Show InChI InChI=1S/C21H29FN2O2/c22-20(18-9-5-2-6-10-18)15-23-19-11-13-24(14-12-19)21(25)26-16-17-7-3-1-4-8-17/h1,3-4,7-8,19,23H,2,5-6,9-16H2
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n/an/a 1.28E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12432
PNG
((2H-1,3-benzodioxol-5-ylmethyl)(2-cyclohexylidene-...)
Show SMILES FC(CNCc1ccc2OCOc2c1)=C1CCCCC1
Show InChI InChI=1S/C16H20FNO2/c17-14(13-4-2-1-3-5-13)10-18-9-12-6-7-15-16(8-12)20-11-19-15/h6-8,18H,1-5,9-11H2
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n/an/a 1.29E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12431
PNG
((2-cyclohexylidene-2-fluoroethyl)[(4-methoxyphenyl...)
Show SMILES COc1ccc(CNCC(F)=C2CCCCC2)cc1
Show InChI InChI=1S/C16H22FNO/c1-19-15-9-7-13(8-10-15)11-18-12-16(17)14-5-3-2-4-6-14/h7-10,18H,2-6,11-12H2,1H3
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n/an/a 1.34E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12451
PNG
((2H-1,3-benzodioxol-5-ylmethyl)(2-cyclohexylidenee...)
Show SMILES C(NCc1ccc2OCOc2c1)C=C1CCCCC1
Show InChI InChI=1S/C16H21NO2/c1-2-4-13(5-3-1)8-9-17-11-14-6-7-15-16(10-14)19-12-18-15/h6-8,10,17H,1-5,9,11-12H2
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n/an/a 1.44E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12421
PNG
((2-cyclopentylidene-2-fluoroethyl)[(4-methoxypheny...)
Show SMILES COc1ccc(CNCC(F)=C2CCCC2)cc1
Show InChI InChI=1S/C15H20FNO/c1-18-14-8-6-12(7-9-14)10-17-11-15(16)13-4-2-3-5-13/h6-9,17H,2-5,10-11H2,1H3
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n/an/a 1.55E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12423
PNG
((2-cyclopentylidene-2-fluoroethyl)[2-(pyridin-2-yl...)
Show SMILES FC(CNCCc1ccccn1)=C1CCCC1
Show InChI InChI=1S/C14H19FN2/c15-14(12-5-1-2-6-12)11-16-10-8-13-7-3-4-9-17-13/h3-4,7,9,16H,1-2,5-6,8,10-11H2
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n/an/a 1.57E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12465
PNG
((2S)-1-{2-[(2-phenylethyl)amino]acetyl}pyrrolidine...)
Show SMILES O=C(CNCCc1ccccc1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C15H19N3O/c16-11-14-7-4-10-18(14)15(19)12-17-9-8-13-5-2-1-3-6-13/h1-3,5-6,14,17H,4,7-10,12H2/t14-/m0/s1
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n/an/a 1.63E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12192
PNG
((2S)-2-amino-2-cyclohexyl-1-(2,3-dihydro-1H-isoind...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1Cc2ccccc2C1
Show InChI InChI=1S/C16H22N2O/c17-15(12-6-2-1-3-7-12)16(19)18-10-13-8-4-5-9-14(13)11-18/h4-5,8-9,12,15H,1-3,6-7,10-11,17H2/t15-/m0/s1
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n/an/a 1.65E+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...


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 2 (DPP II)


(Homo sapiens (Human))
BDBM12193
PNG
(2-amino-1-(2,3-dihydro-1H-isoindol-2-yl)-4-(1,2,3,...)
Show SMILES NC(CC(=O)N1CCc2ccccc2C1)C(=O)N1Cc2ccccc2C1
Show InChI InChI=1S/C21H23N3O2/c22-19(21(26)24-13-17-7-3-4-8-18(17)14-24)11-20(25)23-10-9-15-5-1-2-6-16(15)12-23/h1-8,19H,9-14,22H2
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n/an/a 2.09E+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...


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 2 (DPP II)


(Homo sapiens (Human))
BDBM12433
PNG
((2-cyclohexylidene-2-fluoroethyl)[(4-fluorophenyl)...)
Show SMILES FC(CNCc1ccc(F)cc1)=C1CCCCC1
Show InChI InChI=1S/C15H19F2N/c16-14-8-6-12(7-9-14)10-18-11-15(17)13-4-2-1-3-5-13/h6-9,18H,1-5,10-11H2
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n/an/a 2.19E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12467
PNG
((2S)-1-(2-{[(4-fluorophenyl)methyl]amino}acetyl)py...)
Show SMILES Fc1ccc(CNCC(=O)N2CCC[C@H]2C#N)cc1
Show InChI InChI=1S/C14H16FN3O/c15-12-5-3-11(4-6-12)9-17-10-14(19)18-7-1-2-13(18)8-16/h3-6,13,17H,1-2,7,9-10H2/t13-/m0/s1
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n/an/a 2.55E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12441
PNG
(10.7b | Olefin Analogue 23 | benzyl(2-cyclopentyli...)
Show SMILES C(NCc1ccccc1)C=C1CCCC1
Show InChI InChI=1S/C14H19N/c1-2-8-14(9-3-1)12-15-11-10-13-6-4-5-7-13/h1-3,8-10,15H,4-7,11-12H2
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n/an/a 2.60E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
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



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 2 (DPP II)


(Homo sapiens (Human))
BDBM12424
PNG
((2-cyclopentylidene-2-fluoroethyl)(2-phenylethyl)a...)
Show SMILES FC(CNCCc1ccccc1)=C1CCCC1
Show InChI InChI=1S/C15H20FN/c16-15(14-8-4-5-9-14)12-17-11-10-13-6-2-1-3-7-13/h1-3,6-7,17H,4-5,8-12H2
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n/an/a 2.72E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12190
PNG
((2S)-2-amino-2-cyclohexyl-1-(piperidin-1-yl)ethan-...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCCCC1
Show InChI InChI=1S/C13H24N2O/c14-12(11-7-3-1-4-8-11)13(16)15-9-5-2-6-10-15/h11-12H,1-10,14H2/t12-/m0/s1
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n/an/a 2.74E+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...


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 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



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 2 (DPP II)


(Homo sapiens (Human))
BDBM12459
PNG
((1R,S)-(2Z)-2-{1-Fluoro-2-[(2-phenylethyl)amino]et...)
Show SMILES F\C(CNCCc1ccccc1)=C1\CCCC1C#N
Show InChI InChI=1S/C16H19FN2/c17-16(15-8-4-7-14(15)11-18)12-19-10-9-13-5-2-1-3-6-13/h1-3,5-6,14,19H,4,7-10,12H2/b16-15-
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n/an/a 3.29E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12430
PNG
(9.8d | Fluoro-Olefin Analogue 12 | N-Benzyl-2-cycl...)
Show SMILES FC(CNCc1ccccc1)=C1CCCCC1
Show InChI InChI=1S/C15H20FN/c16-15(14-9-5-2-6-10-14)12-17-11-13-7-3-1-4-8-13/h1,3-4,7-8,17H,2,5-6,9-12H2
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n/an/a 3.40E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12462
PNG
((1R,S)-(2E)-2-{1-Fluoro-2-[(2-phenylethyl)amino]et...)
Show SMILES F\C(CNCCc1ccccc1)=C1/CCCC1C#N
Show InChI InChI=1S/C16H19FN2/c17-16(15-8-4-7-14(15)11-18)12-19-10-9-13-5-2-1-3-6-13/h1-3,5-6,14,19H,4,7-10,12H2/b16-15+
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n/an/a 3.61E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12420
PNG
(9.7b | Fluoro-Olefin Analogue 2 | N-Benzyl-2-cyclo...)
Show SMILES FC(CNCc1ccccc1)=C1CCCC1
Show InChI InChI=1S/C14H18FN/c15-14(13-8-4-5-9-13)11-16-10-12-6-2-1-3-7-12/h1-3,6-7,16H,4-5,8-11H2
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n/an/a 3.78E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12195
PNG
(2-amino-4-{4-[bis(4-fluorophenyl)methyl]piperazin-...)
Show SMILES NC(CC(=O)N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1Cc2ccccc2C1
Show InChI InChI=1S/C29H30F2N4O2/c30-24-9-5-20(6-10-24)28(21-7-11-25(31)12-8-21)34-15-13-33(14-16-34)27(36)17-26(32)29(37)35-18-22-3-1-2-4-23(22)19-35/h1-12,26,28H,13-19,32H2
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n/an/a 3.84E+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...


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 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



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 2 (DPP II)


(Homo sapiens (Human))
BDBM12464
PNG
((1R,S)-(2E)-2-{1-Fluoro-2-[(4-fluorobenzyl)amino]e...)
Show SMILES F\C(CNCc1ccc(F)cc1)=C1/CCCC1C#N
Show InChI InChI=1S/C15H16F2N2/c16-13-6-4-11(5-7-13)9-19-10-15(17)14-3-1-2-12(14)8-18/h4-7,12,19H,1-3,9-10H2/b15-14+
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n/an/a 4.04E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12458
PNG
((2H-1,3-benzodioxol-5-ylmethyl)[2-(piperidin-1-yl)...)
Show SMILES S=C(CNCc1ccc2OCOc2c1)N1CCCCC1
Show InChI InChI=1S/C15H20N2O2S/c20-15(17-6-2-1-3-7-17)10-16-9-12-4-5-13-14(8-12)19-11-18-13/h4-5,8,16H,1-3,6-7,9-11H2
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n/an/a 4.20E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12457
PNG
(16.2b | N-Benzyl-2-thioxo-2-(1-piperidinyl)ethanea...)
Show SMILES S=C(CNCc1ccccc1)N1CCCCC1
Show InChI InChI=1S/C14H20N2S/c17-14(16-9-5-2-6-10-16)12-15-11-13-7-3-1-4-8-13/h1,3-4,7-8,15H,2,5-6,9-12H2
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n/an/a 4.84E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12454
PNG
(15.2c | 2-[(2H-1,3-benzodioxol-5-ylmethyl)amino]-1...)
Show SMILES O=C(CNCc1ccc2OCOc2c1)N1CCCCC1
Show InChI InChI=1S/C15H20N2O3/c18-15(17-6-2-1-3-7-17)10-16-9-12-4-5-13-14(8-12)20-11-19-13/h4-5,8,16H,1-3,6-7,9-11H2
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n/an/a 5.20E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12426
PNG
((2-cyclopentylidene-2-fluoroethyl)[3-(dimethylamin...)
Show SMILES CN(C)CCCNCC(F)=C1CCCC1
Show InChI InChI=1S/C12H23FN2/c1-15(2)9-5-8-14-10-12(13)11-6-3-4-7-11/h14H,3-10H2,1-2H3
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n/an/a 5.37E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12439
PNG
((2-cyclohexylidene-2-fluoroethyl)[3-(dimethylamino...)
Show SMILES CN(C)CCCNCC(F)=C1CCCCC1
Show InChI InChI=1S/C13H25FN2/c1-16(2)10-6-9-15-11-13(14)12-7-4-3-5-8-12/h15H,3-11H2,1-2H3
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n/an/a 5.46E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12450
PNG
(10.8b | Olefin Analogue 32 | benzyl(2-cyclohexylid...)
Show SMILES C(NCc1ccccc1)C=C1CCCCC1
Show InChI InChI=1S/C15H21N/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h2,5-6,9-11,16H,1,3-4,7-8,12-13H2
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n/an/a 5.53E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12440
PNG
(10.7a | N-(2-cyclopentylideneethyl)cyclohexanamine...)
Show SMILES C(NC1CCCCC1)C=C1CCCC1
Show InChI InChI=1S/C13H23N/c1-2-8-13(9-3-1)14-11-10-12-6-4-5-7-12/h10,13-14H,1-9,11H2
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n/an/a 6.20E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12445
PNG
(15.1c | 2-[(2H-1,3-benzodioxol-5-ylmethyl)amino]-1...)
Show SMILES O=C(CNCc1ccc2OCOc2c1)N1CCCC1
Show InChI InChI=1S/C14H18N2O3/c17-14(16-5-1-2-6-16)9-15-8-11-3-4-12-13(7-11)19-10-18-12/h3-4,7,15H,1-2,5-6,8-10H2
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n/an/a 6.30E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12448
PNG
((2H-1,3-benzodioxol-5-ylmethyl)[2-(pyrrolidin-1-yl...)
Show SMILES S=C(CNCc1ccc2OCOc2c1)N1CCCC1
Show InChI InChI=1S/C14H18N2O2S/c19-14(16-5-1-2-6-16)9-15-8-11-3-4-12-13(7-11)18-10-17-12/h3-4,7,15H,1-2,5-6,8-10H2
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n/an/a 6.70E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
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



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 2 (DPP II)


(Homo sapiens (Human))
BDBM12456
PNG
(16.2a | N-Cyclohexyl-2-thioxo-2-(1-piperidinyl)eth...)
Show SMILES S=C(CNC1CCCCC1)N1CCCCC1
Show InChI InChI=1S/C13H24N2S/c16-13(15-9-5-2-6-10-15)11-14-12-7-3-1-4-8-12/h12,14H,1-11H2
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n/an/a 6.90E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12461
PNG
((1R,S)-(2Z)-2-{1-Fluoro-2-[(4-fluorobenzyl)amino]e...)
Show SMILES F\C(CNCc1ccc(F)cc1)=C1\CCCC1C#N
Show InChI InChI=1S/C15H16F2N2/c16-13-6-4-11(5-7-13)9-19-10-15(17)14-3-1-2-12(14)8-18/h4-7,12,19H,1-3,9-10H2/b15-14-
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n/an/a 8.73E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12419
PNG
(9.7a | Fluoro-Olefin Analogue 1 | N-(2-Cyclopentyl...)
Show SMILES FC(CNC1CCCCC1)=C1CCCC1
Show InChI InChI=1S/C13H22FN/c14-13(11-6-4-5-7-11)10-15-12-8-2-1-3-9-12/h12,15H,1-10H2
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n/an/a 9.00E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12428
PNG
(9.8b | Fluoro-Olefin Analogue 10 | N-(2-Cyclohexyl...)
Show SMILES FC(CNC12CC3CC(CC(C3)C1)C2)=C1CCCCC1
Show InChI InChI=1S/C18H28FN/c19-17(16-4-2-1-3-5-16)12-20-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-15,20H,1-12H2
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PubMed
n/an/a 9.13E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12446
PNG
(16.1a | N-Cyclohexyl-2-thioxo-2-(1-pyrrolidinyl)et...)
Show SMILES S=C(CNC1CCCCC1)N1CCCC1
Show InChI InChI=1S/C12H22N2S/c15-12(14-8-4-5-9-14)10-13-11-6-2-1-3-7-11/h11,13H,1-10H2
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PubMed
n/an/a 9.20E+4n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12429
PNG
(9.8c | Fluoro-Olefin Analogue 11 | N-(2-Cyclohexyl...)
Show SMILES FC(CNc1ccccc1)=C1CCCCC1
Show InChI InChI=1S/C14H18FN/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13/h2,5-6,9-10,16H,1,3-4,7-8,11H2
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Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



University of Antwerp



Assay Description
The DPP inhibition was measured by monitoring the cleavage of chromogenic substrate in the presence of each inhibitor compound. IC50 value was determ...


J Med Chem 48: 1768-80 (2005)


Article DOI: 10.1021/jm0495982
BindingDB Entry DOI: 10.7270/Q2N014RD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM12194
PNG
(2-amino-1-(2,3-dihydro-1H-isoindol-2-yl)-4-(6,7-di...)
Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)CC(N)C(=O)N1Cc2ccccc2C1
Show InChI InChI=1S/C23H27N3O4/c1-29-20-9-15-7-8-25(14-18(15)10-21(20)30-2)22(27)11-19(24)23(28)26-12-16-5-3-4-6-17(16)13-26/h3-6,9-10,19H,7-8,11-14,24H2,1-2H3
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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...


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 2 (DPP II)


(Homo sapiens (Human))
BDBM12191
PNG
((2S)-2-amino-2-cyclohexyl-1-(pyrrolidin-1-yl)ethan...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCCC1
Show InChI InChI=1S/C12H22N2O/c13-11(10-6-2-1-3-7-10)12(15)14-8-4-5-9-14/h10-11H,1-9,13H2/t11-/m0/s1
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PubMed
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...


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 2 (DPP II)


(Homo sapiens (Human))
BDBM12183
PNG
((2S)-1-[(2S)-2-amino-4-{4-[bis(4-fluorophenyl)meth...)
Show SMILES N[C@@H](CC(=O)N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C26H29F2N5O2/c27-20-7-3-18(4-8-20)25(19-5-9-21(28)10-6-19)32-14-12-31(13-15-32)24(34)16-23(30)26(35)33-11-1-2-22(33)17-29/h3-10,22-23,25H,1-2,11-16,30H2/t22-,23-/m0/s1
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PubMed
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...


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
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