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Compile Data Set for Download or QSAR

Found 499 hits with Last Name = 'huang' and Initial = 'yw'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 4


(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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n/an/a 1.70n/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 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 4


(Homo sapiens (Human))
BDBM50257317
PNG
((S)-1-((S)-2-amino-5-(isoindolin-2-yl)-5-oxopentan...)
Show SMILES N[C@@H](CCC(=O)N1Cc2ccccc2C1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C18H22N4O2/c19-10-15-6-3-9-22(15)18(24)16(20)7-8-17(23)21-11-13-4-1-2-5-14(13)12-21/h1-2,4-5,15-16H,3,6-9,11-12,20H2/t15-,16-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50225074
PNG
((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2
Show InChI InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 20: 3596-600 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.124
BindingDB Entry DOI: 10.7270/Q29Z953W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320120
PNG
((2S,4S)-4-fluoro-1-(2-(2-methyl-4-oxo-4-(pyrrolidi...)
Show SMILES CC(C)(CC(=O)N1CCCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C16H25FN4O2/c1-16(2,8-14(22)20-5-3-4-6-20)19-10-15(23)21-11-12(17)7-13(21)9-18/h12-13,19H,3-8,10-11H2,1-2H3/t12-,13-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in presence of 50% human serum


Bioorg Med Chem Lett 20: 3596-600 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.124
BindingDB Entry DOI: 10.7270/Q29Z953W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50257374
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-5-(3,4-dihydroi...)
Show SMILES [NH3+][C@@H](CCC(=O)N1CCc2ccccc2C1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H24N4O2/c20-12-16-6-3-10-23(16)19(25)17(21)7-8-18(24)22-11-9-14-4-1-2-5-15(14)13-22/h1-2,4-5,16-17H,3,6-11,13,21H2/p+1/t16-,17-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50257435
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-1,5-dioxo-5-(3-...)
Show SMILES [NH3+][C@@H](CCC(=O)N1CCn2c(C1)nnc2C(F)(F)F)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C16H20F3N7O2/c17-16(18,19)15-23-22-12-9-24(6-7-26(12)15)13(27)4-3-11(21)14(28)25-5-1-2-10(25)8-20/h10-11H,1-7,9,21H2/p+1/t10-,11-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50256766
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-1,5-dioxo-5-(2-...)
Show SMILES [NH3+][C@@H](CCC(=O)N1CCn2cc(nc2C1)C(F)(F)F)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C17H21F3N6O2/c18-17(19,20)13-9-24-6-7-25(10-14(24)23-13)15(27)4-3-12(22)16(28)26-5-1-2-11(26)8-21/h9,11-12H,1-7,10,22H2/p+1/t11-,12-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50257433
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-5-(4,5-dihydrot...)
Show SMILES [NH3+][C@@H](CCC(=O)N1CCc2ccsc2C1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C17H22N4O2S/c18-10-13-2-1-7-21(13)17(23)14(19)3-4-16(22)20-8-5-12-6-9-24-15(12)11-20/h6,9,13-14H,1-5,7-8,11,19H2/p+1/t13-,14-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50256767
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-1,5-dioxo-5-(py...)
Show SMILES [NH3+][C@@H](CCC(=O)N1CCCC1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C14H22N4O2/c15-10-11-4-3-9-18(11)14(20)12(16)5-6-13(19)17-7-1-2-8-17/h11-12H,1-9,16H2/p+1/t11-,12-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50256830
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-5-((S)-2-(metho...)
Show SMILES COC[C@@H]1CCCN1C(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C16H26N4O3/c1-23-11-13-5-3-8-19(13)15(21)7-6-14(18)16(22)20-9-2-4-12(20)10-17/h12-14H,2-9,11,18H2,1H3/p+1/t12-,13-,14-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50257434
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-5-(5,6-dihydro-...)
Show SMILES [NH3+][C@@H](CCC(=O)N1CCn2cnnc2C1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C15H21N7O2/c16-8-11-2-1-5-22(11)15(24)12(17)3-4-14(23)20-6-7-21-10-18-19-13(21)9-20/h10-12H,1-7,9,17H2/p+1/t11-,12-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50256935
PNG
((2S,3R)-1-((S)-2-cyanopyrrolidin-1-yl)-3-methyl-1,...)
Show SMILES C[C@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)[C@H]([NH3+])C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C17H22F3N7O2/c1-10(14(22)15(29)26-4-2-3-11(26)8-21)7-13(28)25-5-6-27-12(9-25)23-24-16(27)17(18,19)20/h10-11,14H,2-7,9,22H2,1H3/p+1/t10-,11+,14+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50256877
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-1,5-dioxo-5-(4-...)
Show SMILES [NH3+][C@@H](CCC(=O)N1CCN(CC1)C(=O)C(F)(F)F)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C16H22F3N5O3/c17-16(18,19)15(27)23-8-6-22(7-9-23)13(25)4-3-12(21)14(26)24-5-1-2-11(24)10-20/h11-12H,1-9,21H2/p+1/t11-,12-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50256765
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-1,5-dioxo-5-(2-...)
Show SMILES [NH3+][C@@H](CCC(=O)N1CCn2nc(nc2C1)C(F)(F)F)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C16H20F3N7O2/c17-16(18,19)15-22-12-9-24(6-7-26(12)23-15)13(27)4-3-11(21)14(28)25-5-1-2-10(25)8-20/h10-11H,1-7,9,21H2/p+1/t10-,11-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50256768
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-1,5-dioxo-5-(th...)
Show SMILES [NH3+][C@@H](CCC(=O)N1CCSC1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C13H20N4O2S/c14-8-10-2-1-5-17(10)13(19)11(15)3-4-12(18)16-6-7-20-9-16/h10-11H,1-7,9,15H2/p+1/t10-,11-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50257318
PNG
((S)-1-((S)-2-amino-6-(isoindolin-2-yl)-6-oxohexano...)
Show SMILES N[C@@H](CCCC(=O)N1Cc2ccccc2C1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H24N4O2/c20-11-16-7-4-10-23(16)19(25)17(21)8-3-9-18(24)22-12-14-5-1-2-6-15(14)13-22/h1-2,5-6,16-17H,3-4,7-10,12-13,21H2/t16-,17-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320120
PNG
((2S,4S)-4-fluoro-1-(2-(2-methyl-4-oxo-4-(pyrrolidi...)
Show SMILES CC(C)(CC(=O)N1CCCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C16H25FN4O2/c1-16(2,8-14(22)20-5-3-4-6-20)19-10-15(23)21-11-12(17)7-13(21)9-18/h12-13,19H,3-8,10-11H2,1-2H3/t12-,13-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in presence of 50% human serum


Bioorg Med Chem Lett 20: 3596-600 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.124
BindingDB Entry DOI: 10.7270/Q29Z953W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50249053
PNG
(3-({2-[(2S),4-2S-Cyano-4-fluoropyrrolidin-1-yl]-2-...)
Show SMILES Cc1ncsc1[C@H]1C[C@@H]1NC(=O)CC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C19H26FN5O2S/c1-11-18(28-10-22-11)14-5-15(14)24-16(26)6-19(2,3)23-8-17(27)25-9-12(20)4-13(25)7-21/h10,12-15,23H,4-6,8-9H2,1-3H3,(H,24,26)/t12-,13-,14-,15-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 in presence of 50% human serum


Bioorg Med Chem 17: 2388-99 (2009)


Article DOI: 10.1016/j.bmc.2009.02.020
BindingDB Entry DOI: 10.7270/Q2416WZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50256880
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-5-(cyclopentyla...)
Show SMILES [NH3+][C@@H](CCC(=O)NC1CCCC1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C15H24N4O2/c16-10-12-6-3-9-19(12)15(21)13(17)7-8-14(20)18-11-4-1-2-5-11/h11-13H,1-9,17H2,(H,18,20)/p+1/t12-,13-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50256986
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-5-(isoindolin-2...)
Show SMILES CC(C)(CC(=O)N1Cc2ccccc2C1)[C@H]([NH3+])C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H26N4O2/c1-20(2,18(22)19(26)24-9-5-8-16(24)11-21)10-17(25)23-12-14-6-3-4-7-15(14)13-23/h3-4,6-7,16,18H,5,8-10,12-13,22H2,1-2H3/p+1/t16-,18+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50256937
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-3,3-dimethyl-1,...)
Show SMILES CC(C)(CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)[C@H]([NH3+])C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C18H24F3N7O2/c1-17(2,14(23)15(30)27-5-3-4-11(27)9-22)8-13(29)26-6-7-28-12(10-26)24-25-16(28)18(19,20)21/h11,14H,3-8,10,23H2,1-2H3/p+1/t11-,14+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50257042
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-3,3-dimethyl-5-...)
Show SMILES C[C@@H]1CCCN1C(=O)CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C17H28N4O2/c1-12-6-4-8-20(12)14(22)10-17(2,3)15(19)16(23)21-9-5-7-13(21)11-18/h12-13,15H,4-10,19H2,1-3H3/p+1/t12-,13+,15-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320110
PNG
((2S,4S)-4-fluoro-1-(2-(2-methyl-4-morpholino-4-oxo...)
Show SMILES CC(C)(CC(=O)N1CCOCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C16H25FN4O3/c1-16(2,8-14(22)20-3-5-24-6-4-20)19-10-15(23)21-11-12(17)7-13(21)9-18/h12-13,19H,3-8,10-11H2,1-2H3/t12-,13-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in presence of 50% human serum


Bioorg Med Chem Lett 20: 3596-600 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.124
BindingDB Entry DOI: 10.7270/Q29Z953W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320113
PNG
((2S,4S)-4-fluoro-1-(2-(2-methyl-4-oxo-4-(piperidin...)
Show SMILES CC(C)(CC(=O)N1CCCCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C17H27FN4O2/c1-17(2,9-15(23)21-6-4-3-5-7-21)20-11-16(24)22-12-13(18)8-14(22)10-19/h13-14,20H,3-9,11-12H2,1-2H3/t13-,14-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in presence of 50% human serum


Bioorg Med Chem Lett 20: 3596-600 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.124
BindingDB Entry DOI: 10.7270/Q29Z953W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50256989
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-5-((S)-2-(metho...)
Show SMILES COC[C@@H]1CCCN1C(=O)CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C18H30N4O3/c1-18(2,10-15(23)21-8-5-7-14(21)12-25-3)16(20)17(24)22-9-4-6-13(22)11-19/h13-14,16H,4-10,12,20H2,1-3H3/p+1/t13-,14-,16+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320110
PNG
((2S,4S)-4-fluoro-1-(2-(2-methyl-4-morpholino-4-oxo...)
Show SMILES CC(C)(CC(=O)N1CCOCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C16H25FN4O3/c1-16(2,8-14(22)20-3-5-24-6-4-20)19-10-15(23)21-11-12(17)7-13(21)9-18/h12-13,19H,3-8,10-11H2,1-2H3/t12-,13-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in presence of 50% rat serum


Bioorg Med Chem Lett 20: 3596-600 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.124
BindingDB Entry DOI: 10.7270/Q29Z953W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50256831
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-1,5-dioxo-5-(pi...)
Show SMILES [NH3+][C@@H](CCC(=O)N1CCCCC1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C15H24N4O2/c16-11-12-5-4-10-19(12)15(21)13(17)6-7-14(20)18-8-2-1-3-9-18/h12-13H,1-10,17H2/p+1/t12-,13-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(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 15n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 20: 3596-600 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.124
BindingDB Entry DOI: 10.7270/Q29Z953W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320109
PNG
((2S,4S)-4-fluoro-1-(2-(2-methyl-4-(4-(methylsulfon...)
Show SMILES CC(C)(CC(=O)N1CCN(CC1)S(C)(=O)=O)NCC(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C17H28FN5O4S/c1-17(2,20-11-16(25)23-12-13(18)8-14(23)10-19)9-15(24)21-4-6-22(7-5-21)28(3,26)27/h13-14,20H,4-9,11-12H2,1-3H3/t13-,14-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in presence of 50% human serum


Bioorg Med Chem Lett 20: 3596-600 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.124
BindingDB Entry DOI: 10.7270/Q29Z953W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50248621
PNG
(3-({2-[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl]-2-...)
Show SMILES CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C21H26ClFN4O2/c1-21(2,25-11-20(29)27-12-15(23)7-16(27)10-24)9-19(28)26-18-8-17(18)13-4-3-5-14(22)6-13/h3-6,15-18,25H,7-9,11-12H2,1-2H3,(H,26,28)/t15-,16-,17+,18-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem 17: 2388-99 (2009)


Article DOI: 10.1016/j.bmc.2009.02.020
BindingDB Entry DOI: 10.7270/Q2416WZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50249053
PNG
(3-({2-[(2S),4-2S-Cyano-4-fluoropyrrolidin-1-yl]-2-...)
Show SMILES Cc1ncsc1[C@H]1C[C@@H]1NC(=O)CC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C19H26FN5O2S/c1-11-18(28-10-22-11)14-5-15(14)24-16(26)6-19(2,3)23-8-17(27)25-9-12(20)4-13(25)7-21/h10,12-15,23H,4-6,8-9H2,1-3H3,(H,24,26)/t12-,13-,14-,15-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 in presence of 50% rat serum


Bioorg Med Chem 17: 2388-99 (2009)


Article DOI: 10.1016/j.bmc.2009.02.020
BindingDB Entry DOI: 10.7270/Q2416WZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320120
PNG
((2S,4S)-4-fluoro-1-(2-(2-methyl-4-oxo-4-(pyrrolidi...)
Show SMILES CC(C)(CC(=O)N1CCCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C16H25FN4O2/c1-16(2,8-14(22)20-5-3-4-6-20)19-10-15(23)21-11-12(17)7-13(21)9-18/h12-13,19H,3-8,10-11H2,1-2H3/t12-,13-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 20: 3596-600 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.124
BindingDB Entry DOI: 10.7270/Q29Z953W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320123
PNG
(CHEMBL1082996 | trans-N-(2-(3-chlorophenyl)cyclopr...)
Show SMILES CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1)CC(=O)N1C[C@@H](F)C[C@H]1C#C
Show InChI InChI=1S/C22H26ClFN2O2/c1-4-17-9-16(24)13-26(17)21(28)12-22(2,3)11-20(27)25-19-10-18(19)14-6-5-7-15(23)8-14/h1,5-8,16-19H,9-13H2,2-3H3,(H,25,27)/t16-,17+,18+,19-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 20: 3596-600 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.124
BindingDB Entry DOI: 10.7270/Q29Z953W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(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 15n/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 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 4


(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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n/an/a 16n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in presence of 50% human serum


Bioorg Med Chem Lett 20: 3596-600 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.124
BindingDB Entry DOI: 10.7270/Q29Z953W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50256987
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-5-(3,4-dihydroi...)
Show SMILES CC(C)(CC(=O)N1CCc2ccccc2C1)[C@H]([NH3+])C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C21H28N4O2/c1-21(2,19(23)20(27)25-10-5-8-17(25)13-22)12-18(26)24-11-9-15-6-3-4-7-16(15)14-24/h3-4,6-7,17,19H,5,8-12,14,23H2,1-2H3/p+1/t17-,19+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50249053
PNG
(3-({2-[(2S),4-2S-Cyano-4-fluoropyrrolidin-1-yl]-2-...)
Show SMILES Cc1ncsc1[C@H]1C[C@@H]1NC(=O)CC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C19H26FN5O2S/c1-11-18(28-10-22-11)14-5-15(14)24-16(26)6-19(2,3)23-8-17(27)25-9-12(20)4-13(25)7-21/h10,12-15,23H,4-6,8-9H2,1-3H3,(H,24,26)/t12-,13-,14-,15-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem 17: 2388-99 (2009)


Article DOI: 10.1016/j.bmc.2009.02.020
BindingDB Entry DOI: 10.7270/Q2416WZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50256832
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-5-morpholino-1,...)
Show SMILES [NH3+][C@@H](CCC(=O)N1CCOCC1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C14H22N4O3/c15-10-11-2-1-5-18(11)14(20)12(16)3-4-13(19)17-6-8-21-9-7-17/h11-12H,1-9,16H2/p+1/t11-,12-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50248693
PNG
(3-({2-[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl]-2-...)
Show SMILES CCOc1cccc(c1)[C@H]1C[C@@H]1NC(=O)CC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C23H31FN4O3/c1-4-31-18-7-5-6-15(8-18)19-10-20(19)27-21(29)11-23(2,3)26-13-22(30)28-14-16(24)9-17(28)12-25/h5-8,16-17,19-20,26H,4,9-11,13-14H2,1-3H3,(H,27,29)/t16-,17-,19+,20-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem 17: 2388-99 (2009)


Article DOI: 10.1016/j.bmc.2009.02.020
BindingDB Entry DOI: 10.7270/Q2416WZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(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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PubMed
n/an/a 17n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in presence of 50% human serum


Bioorg Med Chem Lett 20: 3596-600 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.124
BindingDB Entry DOI: 10.7270/Q29Z953W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320112
PNG
((2S,4S)-1-(2-(4-(3,4-dihydropyridin-1(2H)-yl)-2-me...)
Show SMILES CC(C)(CC(=O)N1CCC=CC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C17H25FN4O2/c1-17(2,9-15(23)21-6-4-3-5-7-21)20-11-16(24)22-12-13(18)8-14(22)10-19/h3-4,13-14,20H,5-9,11-12H2,1-2H3/t13-,14-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 20: 3596-600 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.124
BindingDB Entry DOI: 10.7270/Q29Z953W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(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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Article
PubMed
n/an/a 18n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in presence of 50% human serum


Bioorg Med Chem Lett 20: 3596-600 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.124
BindingDB Entry DOI: 10.7270/Q29Z953W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320124
PNG
(3-(2-((2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl)-2-o...)
Show SMILES COc1ccc(NC(=O)CC(C)(C)NCC(=O)N2C[C@@H](F)C[C@H]2C#N)nc1
Show InChI InChI=1S/C18H24FN5O3/c1-18(2,7-16(25)23-15-5-4-14(27-3)9-21-15)22-10-17(26)24-11-12(19)6-13(24)8-20/h4-5,9,12-13,22H,6-7,10-11H2,1-3H3,(H,21,23,25)/t12-,13-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in presence of 50% human serum


Bioorg Med Chem Lett 20: 3596-600 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.124
BindingDB Entry DOI: 10.7270/Q29Z953W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50256878
PNG
((S)-1-((S)-2-cyanopyrrolidin-1-yl)-1,5-dioxo-5-(4-...)
Show SMILES [NH3+][C@@H](CCC(=O)N1CCN(CC1)c1ccncc1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H26N6O2/c20-14-16-2-1-9-25(16)19(27)17(21)3-4-18(26)24-12-10-23(11-13-24)15-5-7-22-8-6-15/h5-8,16-17H,1-4,9-13,21H2/p+1/t16-,17-/m0/s1
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PubMed
n/an/a 19n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 19: 1908-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.061
BindingDB Entry DOI: 10.7270/Q2348K74
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320125
PNG
(3-(2-((2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl)-2-o...)
Show SMILES CC(C)(CC(=O)Nc1ccccn1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C17H22FN5O2/c1-17(2,8-15(24)22-14-5-3-4-6-20-14)21-10-16(25)23-11-12(18)7-13(23)9-19/h3-6,12-13,21H,7-8,10-11H2,1-2H3,(H,20,22,24)/t12-,13-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in presence of 50% human serum


Bioorg Med Chem Lett 20: 3596-600 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.124
BindingDB Entry DOI: 10.7270/Q29Z953W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50248620
PNG
(3-({2-[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl]-2-...)
Show SMILES CC(C)(CC(=O)N[C@H]1C[C@@H]1c1ccccc1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C21H27FN4O2/c1-21(2,24-12-20(28)26-13-15(22)8-16(26)11-23)10-19(27)25-18-9-17(18)14-6-4-3-5-7-14/h3-7,15-18,24H,8-10,12-13H2,1-2H3,(H,25,27)/t15-,16-,17+,18-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem 17: 2388-99 (2009)


Article DOI: 10.1016/j.bmc.2009.02.020
BindingDB Entry DOI: 10.7270/Q2416WZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320124
PNG
(3-(2-((2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl)-2-o...)
Show SMILES COc1ccc(NC(=O)CC(C)(C)NCC(=O)N2C[C@@H](F)C[C@H]2C#N)nc1
Show InChI InChI=1S/C18H24FN5O3/c1-18(2,7-16(25)23-15-5-4-14(27-3)9-21-15)22-10-17(26)24-11-12(19)6-13(24)8-20/h4-5,9,12-13,22H,6-7,10-11H2,1-3H3,(H,21,23,25)/t12-,13-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 20: 3596-600 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.124
BindingDB Entry DOI: 10.7270/Q29Z953W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320125
PNG
(3-(2-((2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl)-2-o...)
Show SMILES CC(C)(CC(=O)Nc1ccccn1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C17H22FN5O2/c1-17(2,8-15(24)22-14-5-3-4-6-20-14)21-10-16(25)23-11-12(18)7-13(23)9-19/h3-6,12-13,21H,7-8,10-11H2,1-2H3,(H,20,22,24)/t12-,13-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 20: 3596-600 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.124
BindingDB Entry DOI: 10.7270/Q29Z953W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50248694
PNG
(3-({2-[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl]-2-...)
Show SMILES CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccc(OC(F)(F)F)c1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C22H26F4N4O3/c1-21(2,28-11-20(32)30-12-14(23)7-15(30)10-27)9-19(31)29-18-8-17(18)13-4-3-5-16(6-13)33-22(24,25)26/h3-6,14-15,17-18,28H,7-9,11-12H2,1-2H3,(H,29,31)/t14-,15-,17+,18-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem 17: 2388-99 (2009)


Article DOI: 10.1016/j.bmc.2009.02.020
BindingDB Entry DOI: 10.7270/Q2416WZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320110
PNG
((2S,4S)-4-fluoro-1-(2-(2-methyl-4-morpholino-4-oxo...)
Show SMILES CC(C)(CC(=O)N1CCOCC1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C16H25FN4O3/c1-16(2,8-14(22)20-3-5-24-6-4-20)19-10-15(23)21-11-12(17)7-13(21)9-18/h12-13,19H,3-8,10-11H2,1-2H3/t12-,13-/m0/s1
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PubMed
n/an/a 20n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 20: 3596-600 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.124
BindingDB Entry DOI: 10.7270/Q29Z953W
More data for this
Ligand-Target Pair
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