Found 58 hits Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of DPP4 in human plasma assessed as formation of 7-amino-4-methylcoumarin from glycyl-L-proline 4-methylcoumaryl-7-amide by fluorescence a... |
Bioorg Med Chem 19: 5490-9 (2011)
Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Tufts University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of human DPP4 expressed in HEK293 cells using Ala-Pro-p-nitroanilide hydrochloride salt as substrate preincubated for 10 mins prior to add... |
Bioorg Med Chem Lett 22: 5536-40 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.033 BindingDB Entry DOI: 10.7270/Q2M909QF |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505 BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of recombinant human DPP4 using Gly-Pro-AMC as substrate after 1 hr by fluorescence assay |
Eur J Med Chem 151: 145-157 (2018)
BindingDB Entry DOI: 10.7270/Q2CZ39SV |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4)
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY; SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES
US Patent
| Assay Description Screening Method:Name of method: Activity Evaluation of DPP4, Fluorescence.Instrument: Microplate reader, Envision (PerkinElmer, USA).Material: human... |
US Patent US10479798 (2019)
BindingDB Entry DOI: 10.7270/Q2377C4Z |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Medical University
Curated by ChEMBL
| Assay Description Inhibition of DPP4 (unknown origin) pre-incubated for 1 hr before Gly-Pro-pNA substrate addition and measured 2 hrs post substrate addition |
Bioorg Med Chem Lett 25: 1872-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.048 BindingDB Entry DOI: 10.7270/Q2B27X07 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Materia Medica
Curated by ChEMBL
| Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr |
Eur J Med Chem 124: 103-116 (2016)
Article DOI: 10.1016/j.ejmech.2016.08.023 BindingDB Entry DOI: 10.7270/Q2FJ2JRD |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
M.S. University of Baroda
Curated by ChEMBL
| Assay Description Inhibition of human DPP-4 expressed in baculovirus expression system using H-Gly-Pro-AMC as substrate after 30 mins by fluorometric analysis |
Bioorg Med Chem Lett 24: 1918-22 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.009 BindingDB Entry DOI: 10.7270/Q2G73G7F |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co. Inc
Curated by ChEMBL
| Assay Description Competitive reversible inhibition of DPP4 (unknown origin) |
J Med Chem 57: 3205-12 (2014)
Article DOI: 10.1021/jm401992e BindingDB Entry DOI: 10.7270/Q2WD423H |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Central Drug Research Institute
| Assay Description DPP-IV inhibitory activity was determined by measuring the p-nitroaniline (pNA) released from the chromogenic substrate hydrolysis (H-Gly-Pro-pNA). T... |
Chem Biol Drug Des 85: 439-46 (2015)
Article DOI: 10.1111/cbdd.12426 BindingDB Entry DOI: 10.7270/Q2542M9S |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
| Assay Description The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds. |
Chem Biol Drug Des 84: 364-77 (2014)
Article DOI: 10.1111/cbdd.12327 BindingDB Entry DOI: 10.7270/Q2D21W96 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Merck Research Laboratories
| Assay Description The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m... |
J Med Chem 48: 141-51 (2005)
Article DOI: 10.1021/jm0493156 BindingDB Entry DOI: 10.7270/Q2HH6H8H |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Merck Research Laboratories
| Assay Description The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m... |
Bioorg Med Chem Lett 17: 49-52 (2007)
Article DOI: 10.1016/j.bmcl.2006.09.099 BindingDB Entry DOI: 10.7270/Q2F47MC2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis |
Bioorg Med Chem 20: 5864-83 (2012)
Article DOI: 10.1016/j.bmc.2012.07.046 BindingDB Entry DOI: 10.7270/Q2FX7BJX |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Eur J Med Chem 44: 3318-22 (2009)
Article DOI: 10.1016/j.ejmech.2009.03.021 BindingDB Entry DOI: 10.7270/Q2DR2WGQ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 21: 1880-6 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.060 BindingDB Entry DOI: 10.7270/Q2SX6DJG |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of DPP-4 (unknown origin) |
J Med Chem 58: 8315-59 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00258 BindingDB Entry DOI: 10.7270/Q22J6DPZ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of DPP4 (unknown origin) |
J Med Chem 51: 4359-69 (2008)
Article DOI: 10.1021/jm800219f BindingDB Entry DOI: 10.7270/Q28915N5 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Pharmaceutical Education and Research-Ahmedabad
Curated by ChEMBL
| Assay Description Inhibition of human recombinant DPP-4 using Gly-pro-p-nitroanilide as substrate assessed as formation of p-nitroaniline after 30 mins by colorimetric... |
Bioorg Med Chem Lett 25: 4428-33 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.015 BindingDB Entry DOI: 10.7270/Q2XP76RW |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
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 |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 17: 5934-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.100 BindingDB Entry DOI: 10.7270/Q20C4VH0 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 17: 3877-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.106 BindingDB Entry DOI: 10.7270/Q20K2884 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of DPP4 activity |
Bioorg Med Chem Lett 17: 3373-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.098 BindingDB Entry DOI: 10.7270/Q2W37W04 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 17: 3384-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.095 BindingDB Entry DOI: 10.7270/Q2NK3DQW |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Jamia Hamdard
Curated by ChEMBL
| Assay Description Inhibition of human DPP-4 using H-Gly-Pro-para-Nitroanilide as substrate incubated for 20 mins prior to substrate addition measured after 30 mins by ... |
Bioorg Med Chem Lett 24: 3447-51 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.076 BindingDB Entry DOI: 10.7270/Q2V69M60 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of DPP4 extracted from human Caco2 cells using H-Gly-Pro-AMC substrate after 10 mins by fluorescence assay |
ACS Med Chem Lett 6: 602-6 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00074 BindingDB Entry DOI: 10.7270/Q22J6DM2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
CHUV-UNIL
Curated by ChEMBL
| Assay Description Inhibition of DPP4 (unknown origin) |
J Med Chem 57: 2197-212 (2014)
Article DOI: 10.1021/jm400658e BindingDB Entry DOI: 10.7270/Q2TB18F1 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 19.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University of Traditional Chinese Medicine
Curated by ChEMBL
| Assay Description Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC |
Bioorg Med Chem Lett 21: 1731-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.086 BindingDB Entry DOI: 10.7270/Q2N58MN7 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Laboratories Limited
Curated by ChEMBL
| Assay Description Inhibition of human plasma DPP4 |
Bioorg Med Chem Lett 27: 2313-2318 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.036 BindingDB Entry DOI: 10.7270/Q2ZC858S |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of human recombinant his6-tagged DPP4 using Ala-Pro-AMC as substrate by continuous fluorometric method |
Bioorg Med Chem 22: 6684-93 (2014)
Article DOI: 10.1016/j.bmc.2014.09.051 BindingDB Entry DOI: 10.7270/Q23N250X |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Materia Medica
Curated by ChEMBL
| Assay Description Inhibition of human recombinant DPP4 expressed in baculovirus expression system using Ala-Pro-AMC as substrate by continuous fluorometric assay |
Eur J Med Chem 86: 242-56 (2014)
Article DOI: 10.1016/j.ejmech.2014.08.059 BindingDB Entry DOI: 10.7270/Q2N58P3W |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader |
Bioorg Med Chem Lett 21: 1366-70 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.041 BindingDB Entry DOI: 10.7270/Q25B02R9 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University Park Nottingham
Curated by ChEMBL
| Assay Description Inhibition of recombinant human DPP-4 expressed in HEK293 cells using H-Gly-Pro-AMC as substrate measured over 15 mins by fluorescence analysis |
J Med Chem 60: 1534-1554 (2017)
BindingDB Entry DOI: 10.7270/Q2251MPR |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University Park Nottingham
Curated by ChEMBL
| Assay Description Inhibition of human recombinant DPP4 using H-Gly-Pro-AMC substrate incubated for 15 mins by fluorescent AMC release assay |
ACS Med Chem Lett 6: 324-8 (2015)
Article DOI: 10.1021/ml500503n BindingDB Entry DOI: 10.7270/Q2FB54PM |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | 7.5 | n/a |
China Pharmaceutical University
| Assay Description The reaction contained 10 uM of Ala-Pro-AMC, 50 pM of enzyme DDP-4, different concentrations of test compounds, and assay buffer (100 mM HEPES, pH 7.... |
Chem Biol Drug Des 84: 364-77 (2014)
Article DOI: 10.1111/cbdd.12327 BindingDB Entry DOI: 10.7270/Q2D21W96 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University Park Nottingham
Curated by ChEMBL
| Assay Description Inhibition of recombinant human DPP-4 expressed in HEK293 cells using H-Gly-Pro-AMC as substrate measured over 15 mins by fluorescence analysis |
J Med Chem 60: 1534-1554 (2017)
BindingDB Entry DOI: 10.7270/Q2251MPR |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-tagged DPP4 expressed in insect cells |
J Med Chem 53: 6572-83 (2010)
Article DOI: 10.1021/jm1002556 BindingDB Entry DOI: 10.7270/Q23F4QM9 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase IV
(730/730 = 100%)† (Rattus norvegicus (rat)) | BDBM126822
 (US8785477, Sitagliptin)Show SMILES NC(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 | PDB MMDB
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| n/a | n/a | 26.0 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Sun-Sail Pharmaceutical Science & Technology Co., Ltd.
US Patent
| Assay Description Thoroughly mixed test compounds, enzyme and reaction buffer, preincubated the mixture for 15 minutes at 37° C. and then primed reaction by adding sub... |
US Patent US8785477 (2014)
BindingDB Entry DOI: 10.7270/Q20K278Q |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
XuanZhu Pharma
Curated by ChEMBL
| Assay Description Inhibition of human recombinant DPP4 pre-incubated with compound for 15 mins before substrate addition by luminescence assay |
ACS Med Chem Lett 5: 921-6 (2014)
Article DOI: 10.1021/ml5001905 BindingDB Entry DOI: 10.7270/Q2N29ZQM |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | 8.0 | 37 |
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 |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/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 |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/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 |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/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 |  3D Structure (crystal) |
Dipeptidyl peptidase IV
(730/730 = 100%)† (Rattus norvegicus (rat)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Laboratories Limited
Curated by ChEMBL
| Assay Description Compound was tested in vitro for binding affinity against human carbonic anhydrase II; (ki*10e-9) |
Bioorg Med Chem Lett 27: 2313-2318 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.036 BindingDB Entry DOI: 10.7270/Q2ZC858S |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of human recombinant C-terminal 6His-tagged DPP-4 expressed in insect cells incubated for 30 mins by TPE-KFPE fluorescent probe-based assa... |
Bioorg Med Chem Lett 28: 2131-2135 (2018)
BindingDB Entry DOI: 10.7270/Q2M047Z5 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description Inhibition of DPP4 (unknown origin) |
Bioorg Med Chem Lett 18: 4154-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.080 BindingDB Entry DOI: 10.7270/Q2G160N3 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp (UA)
Curated by ChEMBL
| Assay Description Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s... |
Bioorg Med Chem Lett 22: 3412-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.107 BindingDB Entry DOI: 10.7270/Q27D2W5P |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Warwick
Curated by ChEMBL
| Assay Description Inhibition of human DPP4 |
Eur J Med Chem 139: 482-491 (2017)
BindingDB Entry DOI: 10.7270/Q25B050P |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp (UA)
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
J Med Chem 54: 5737-46 (2011)
Article DOI: 10.1021/jm200383j BindingDB Entry DOI: 10.7270/Q2G73F37 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase IV
(663/729 = 91%)† (Mus musculus) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Ranbaxy Laboratories Limited
Curated by ChEMBL
| Assay Description Inhibitory activity against human renin inhibition (at pH 7.4) |
Bioorg Med Chem Lett 27: 2313-2318 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.036 BindingDB Entry DOI: 10.7270/Q2ZC858S |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description Inhibition of DPP4 |
Bioorg Med Chem Lett 17: 2622-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.111 BindingDB Entry DOI: 10.7270/Q21V5FS4 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase IV
(663/729 = 91%)† (Mus musculus) | BDBM11162
 ((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 | PDB MMDB
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CHEMBL DrugBank PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of mouse DPP4 at 3 mg/kg |
J Med Chem 51: 589-602 (2008)
Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
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CHEMBL DrugBank PC cid PC sid PDB UniChem
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| DrugBank PDB Article PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description Inhibition of DPP4 (unknown origin) |
Bioorg Med Chem Lett 18: 6525-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.076 BindingDB Entry DOI: 10.7270/Q25D8RQV |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| Purchase
CHEMBL DrugBank PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay |
Eur J Med Chem 43: 1889-902 (2008)
Article DOI: 10.1016/j.ejmech.2007.11.029 BindingDB Entry DOI: 10.7270/Q2KP81ZS |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Dipeptidyl peptidase 4
(617/729 = 85%)† (Homo sapiens (Human)) | BDBM11162
 ((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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| Purchase
CHEMBL DrugBank PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Binding affinity to DPP4 (unknown origin) assessed as dissociation constant by SPR assay |
J Med Chem 59: 6772-90 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00505 BindingDB Entry DOI: 10.7270/Q2DV1MWF |
More data for this Ligand-Target Pair |  3D Structure (crystal) |