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PubMed code 27396490

Compile data set for download or QSAR
Found 41 hits of Enzyme Inhibition Constant Data   
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))
BDBM50198186
PNG
(CHEMBL3944427)
Show SMILES COc1cc2c3C[C@H](N)[C@H](Oc3ccc2cc1S(C)(=O)=O)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H18F3NO4S/c1-28-19-8-11-10(5-20(19)30(2,26)27)3-4-18-12(11)7-17(25)21(29-18)13-6-15(23)16(24)9-14(13)22/h3-6,8-9,17,21H,7,25H2,1-2H3/t17-,21+/m0/s1
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n/an/a 1.90n/an/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198181
PNG
(CHEMBL3941804)
Show SMILES COc1cc2ccc3O[C@@H]([C@@H](N)Cc3c2cc1OC)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H18F3NO3/c1-26-19-5-10-3-4-18-12(11(10)8-20(19)27-2)7-17(25)21(28-18)13-6-15(23)16(24)9-14(13)22/h3-6,8-9,17,21H,7,25H2,1-2H3/t17-,21+/m0/s1
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n/an/a 2.10n/an/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50003020
PNG
(MK-3102 | OMARIGLIPTIN | US10155775, Omarigliptin)
Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F
Show InChI InChI=1S/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198185
PNG
(CHEMBL3979508)
Show SMILES N[C@H]1Cc2c(O[C@@H]1c1cc(F)c(F)cc1F)ccc1cc(Br)ccc21
Show InChI InChI=1S/C19H13BrF3NO/c20-10-2-3-11-9(5-10)1-4-18-12(11)7-17(24)19(25-18)13-6-15(22)16(23)8-14(13)21/h1-6,8,17,19H,7,24H2/t17-,19+/m0/s1
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n/an/a 5.20n/an/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198175
PNG
(CHEMBL3932825)
Show SMILES CS(=O)(=O)c1ccc2c3C[C@H](N)[C@H](Oc3ccc2c1)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H16F3NO3S/c1-28(25,26)11-3-4-12-10(6-11)2-5-19-13(12)8-18(24)20(27-19)14-7-16(22)17(23)9-15(14)21/h2-7,9,18,20H,8,24H2,1H3/t18-,20+/m0/s1
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n/an/a 5.80n/an/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198184
PNG
(CHEMBL3942843)
Show SMILES COc1cc2c3C[C@H](N)[C@H](Oc3ccc2cc1NS(C)(=O)=O)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H19F3N2O4S/c1-29-20-8-11-10(5-18(20)26-31(2,27)28)3-4-19-12(11)7-17(25)21(30-19)13-6-15(23)16(24)9-14(13)22/h3-6,8-9,17,21,26H,7,25H2,1-2H3/t17-,21+/m0/s1
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n/an/a 6.10n/an/an/an/an/an/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
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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n/an/a 6.20n/an/an/an/an/an/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
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198190
PNG
(CHEMBL3920234)
Show SMILES N[C@@H]1Cc2c(O[C@H]1c1cc(F)c(F)cc1F)ccc1cc(ccc21)C#N
Show InChI InChI=1S/C20H13F3N2O/c21-15-8-17(23)16(22)6-14(15)20-18(25)7-13-12-3-1-10(9-24)5-11(12)2-4-19(13)26-20/h1-6,8,18,20H,7,25H2/t18-,20+/m1/s1
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n/an/a 8.40n/an/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198174
PNG
(CHEMBL3959221)
Show SMILES CS(=O)(=O)Nc1ccc2c3C[C@H](N)[C@H](Oc3ccc2c1)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H17F3N2O3S/c1-29(26,27)25-11-3-4-12-10(6-11)2-5-19-13(12)8-18(24)20(28-19)14-7-16(22)17(23)9-15(14)21/h2-7,9,18,20,25H,8,24H2,1H3/t18-,20+/m0/s1
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n/an/a 8.90n/an/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198174
PNG
(CHEMBL3959221)
Show SMILES CS(=O)(=O)Nc1ccc2c3C[C@H](N)[C@H](Oc3ccc2c1)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H17F3N2O3S/c1-29(26,27)25-11-3-4-12-10(6-11)2-5-19-13(12)8-18(24)20(28-19)14-7-16(22)17(23)9-15(14)21/h2-7,9,18,20,25H,8,24H2,1H3/t18-,20+/m0/s1
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n/an/a 11n/an/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198175
PNG
(CHEMBL3932825)
Show SMILES CS(=O)(=O)c1ccc2c3C[C@H](N)[C@H](Oc3ccc2c1)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H16F3NO3S/c1-28(25,26)11-3-4-12-10(6-11)2-5-19-13(12)8-18(24)20(27-19)14-7-16(22)17(23)9-15(14)21/h2-7,9,18,20H,8,24H2,1H3/t18-,20+/m0/s1
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n/an/a 11n/an/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198180
PNG
(CHEMBL3928073)
Show SMILES COc1ccc2ccc3O[C@@H]([C@@H](N)Cc3c2c1)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H16F3NO2/c1-25-11-4-2-10-3-5-19-13(12(10)6-11)8-18(24)20(26-19)14-7-16(22)17(23)9-15(14)21/h2-7,9,18,20H,8,24H2,1H3/t18-,20+/m0/s1
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n/an/a 15n/an/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198171
PNG
(CHEMBL3910262)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc2ccc3O[C@H]([C@H](N)Cc3c2c1)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C26H20F3NO3S/c1-34(31,32)17-4-2-3-15(9-17)16-6-5-14-7-8-25-19(18(14)10-16)12-24(30)26(33-25)20-11-22(28)23(29)13-21(20)27/h2-11,13,24,26H,12,30H2,1H3/t24-,26+/m1/s1
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n/an/a 15n/an/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198166
PNG
(CHEMBL3950517)
Show SMILES N[C@H]1Cc2c(O[C@@H]1c1cc(F)c(F)cc1F)ccc1cc(ccc21)C(O)=O
Show InChI InChI=1S/C20H14F3NO3/c21-14-8-16(23)15(22)6-13(14)19-17(24)7-12-11-3-1-10(20(25)26)5-9(11)2-4-18(12)27-19/h1-6,8,17,19H,7,24H2,(H,25,26)/t17-,19+/m0/s1
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n/an/a 18n/an/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198178
PNG
(CHEMBL3901191)
Show SMILES COc1ccc2c3C[C@H](N)[C@H](Oc3ccc2c1)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H16F3NO2/c1-25-11-3-4-12-10(6-11)2-5-19-13(12)8-18(24)20(26-19)14-7-16(22)17(23)9-15(14)21/h2-7,9,18,20H,8,24H2,1H3/t18-,20+/m0/s1
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n/an/a 20n/an/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198167
PNG
(CHEMBL3934008)
Show SMILES COc1ccc2ccc3O[C@@H]([C@@H](N)Cc3c2c1)c1cc(F)ccc1F
Show InChI InChI=1S/C20H17F2NO2/c1-24-13-5-2-11-3-7-19-15(14(11)9-13)10-18(23)20(25-19)16-8-12(21)4-6-17(16)22/h2-9,18,20H,10,23H2,1H3/t18-,20+/m0/s1
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n/an/a 33n/an/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198168
PNG
(CHEMBL3892233)
Show SMILES N[C@@H]1Cc2c(O[C@H]1c1cc(F)c(F)cc1F)ccc1cc(Br)ccc21
Show InChI InChI=1S/C19H13BrF3NO/c20-10-2-3-11-9(5-10)1-4-18-12(11)7-17(24)19(25-18)13-6-15(22)16(23)8-14(13)21/h1-6,8,17,19H,7,24H2/t17-,19+/m1/s1
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n/an/a 39n/an/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198192
PNG
(CHEMBL3929146)
Show SMILES COc1ccc2c3C[C@@H](N)[C@@H](Oc3ccc2c1)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H16F3NO2/c1-25-11-3-4-12-10(6-11)2-5-19-13(12)8-18(24)20(26-19)14-7-16(22)17(23)9-15(14)21/h2-7,9,18,20H,8,24H2,1H3/t18-,20+/m1/s1
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n/an/a 50n/an/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198180
PNG
(CHEMBL3928073)
Show SMILES COc1ccc2ccc3O[C@@H]([C@@H](N)Cc3c2c1)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H16F3NO2/c1-25-11-4-2-10-3-5-19-13(12(10)6-11)8-18(24)20(26-19)14-7-16(22)17(23)9-15(14)21/h2-7,9,18,20H,8,24H2,1H3/t18-,20+/m0/s1
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n/an/a 61n/an/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198183
PNG
(CHEMBL3890161)
Show SMILES N[C@H]1Cc2c(O[C@@H]1c1cc(F)c(F)cc1F)ccc1cc(ccc21)N1CCOCC1
Show InChI InChI=1S/C23H21F3N2O2/c24-18-12-20(26)19(25)10-17(18)23-21(27)11-16-15-3-2-14(28-5-7-29-8-6-28)9-13(15)1-4-22(16)30-23/h1-4,9-10,12,21,23H,5-8,11,27H2/t21-,23+/m0/s1
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n/an/a 70n/an/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198169
PNG
(CHEMBL3952691)
Show SMILES COc1ccc2ccc3O[C@@H]([C@@H](N)Cc3c2c1)c1ccc(F)cc1F
Show InChI InChI=1S/C20H17F2NO2/c1-24-13-5-2-11-3-7-19-16(15(11)9-13)10-18(23)20(25-19)14-6-4-12(21)8-17(14)22/h2-9,18,20H,10,23H2,1H3/t18-,20+/m0/s1
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n/an/a 78n/an/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198170
PNG
(CHEMBL3926320)
Show SMILES N[C@@H]1Cc2c(O[C@H]1c1cc(F)c(F)cc1F)ccc1ccccc21
Show InChI InChI=1S/C19H14F3NO/c20-14-9-16(22)15(21)7-13(14)19-17(23)8-12-11-4-2-1-3-10(11)5-6-18(12)24-19/h1-7,9,17,19H,8,23H2/t17-,19+/m1/s1
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n/an/a 110n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using H-Gly-Pro-AMC peptide substrate assessed as increase in fluorescence for 20 mins by fluorimetric 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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198170
PNG
(CHEMBL3926320)
Show SMILES N[C@@H]1Cc2c(O[C@H]1c1cc(F)c(F)cc1F)ccc1ccccc21
Show InChI InChI=1S/C19H14F3NO/c20-14-9-16(22)15(21)7-13(14)19-17(23)8-12-11-4-2-1-3-10(11)5-6-18(12)24-19/h1-7,9,17,19H,8,23H2/t17-,19+/m1/s1
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n/an/a 110n/an/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198191
PNG
(CHEMBL3892398)
Show SMILES COc1ccc2ccc3O[C@@H]([C@@H](N)Cc3c2c1)c1cccc(F)c1
Show InChI InChI=1S/C20H18FNO2/c1-23-15-7-5-12-6-8-19-17(16(12)10-15)11-18(22)20(24-19)13-3-2-4-14(21)9-13/h2-10,18,20H,11,22H2,1H3/t18-,20+/m0/s1
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n/an/a 122n/an/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198164
PNG
(CHEMBL3959577)
Show SMILES Cc1cc(=O)oc2c3C[C@H](N)[C@H](Oc3ccc12)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C19H14F3NO3/c1-8-4-17(24)26-18-9(8)2-3-16-11(18)6-15(23)19(25-16)10-5-13(21)14(22)7-12(10)20/h2-5,7,15,19H,6,23H2,1H3/t15-,19+/m0/s1
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n/an/a 155n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using H-Gly-Pro-AMC peptide substrate assessed as increase in fluorescence for 20 mins by fluorimetric 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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198164
PNG
(CHEMBL3959577)
Show SMILES Cc1cc(=O)oc2c3C[C@H](N)[C@H](Oc3ccc12)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C19H14F3NO3/c1-8-4-17(24)26-18-9(8)2-3-16-11(18)6-15(23)19(25-16)10-5-13(21)14(22)7-12(10)20/h2-5,7,15,19H,6,23H2,1H3/t15-,19+/m0/s1
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n/an/a 165n/an/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198173
PNG
(CHEMBL3942715)
Show SMILES N[C@@H]1Cc2c(O[C@H]1c1cc(F)c(F)cc1F)ccc1ccc(cc21)C#N
Show InChI InChI=1S/C20H13F3N2O/c21-15-8-17(23)16(22)6-14(15)20-18(25)7-13-12-5-10(9-24)1-2-11(12)3-4-19(13)26-20/h1-6,8,18,20H,7,25H2/t18-,20+/m1/s1
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n/an/a 205n/an/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198165
PNG
(CHEMBL3952716)
Show SMILES N[C@@H]1Cc2c(O[C@H]1c1cc(F)c(F)cc1F)ccc1ccc(=O)oc21
Show InChI InChI=1S/C18H12F3NO3/c19-11-7-13(21)12(20)5-9(11)18-14(22)6-10-15(24-18)3-1-8-2-4-16(23)25-17(8)10/h1-5,7,14,18H,6,22H2/t14-,18+/m1/s1
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n/an/a 207n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using H-Gly-Pro-AMC peptide substrate assessed as increase in fluorescence for 20 mins by fluorimetric 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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198179
PNG
(CHEMBL3919178)
Show SMILES N[C@@H]1Cc2c(O[C@H]1c1cc(F)c(F)cc1F)ccc1ccc(Br)cc21
Show InChI InChI=1S/C19H13BrF3NO/c20-10-3-1-9-2-4-18-12(11(9)5-10)7-17(24)19(25-18)13-6-15(22)16(23)8-14(13)21/h1-6,8,17,19H,7,24H2/t17-,19+/m1/s1
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n/an/a 216n/an/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198177
PNG
(CHEMBL3972474)
Show SMILES COc1ccc2ccc3O[C@@H]([C@@H](N)Cc3c2c1)c1ccccc1Cl
Show InChI InChI=1S/C20H18ClNO2/c1-23-13-8-6-12-7-9-19-16(15(12)10-13)11-18(22)20(24-19)14-4-2-3-5-17(14)21/h2-10,18,20H,11,22H2,1H3/t18-,20+/m0/s1
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n/an/a 338n/an/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198176
PNG
(CHEMBL3981442)
Show SMILES COc1ccc2ccc3O[C@@H]([C@@H](N)Cc3c2c1)c1ccccc1F
Show InChI InChI=1S/C20H18FNO2/c1-23-13-8-6-12-7-9-19-16(15(12)10-13)11-18(22)20(24-19)14-4-2-3-5-17(14)21/h2-10,18,20H,11,22H2,1H3/t18-,20+/m0/s1
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n/an/a 564n/an/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198192
PNG
(CHEMBL3929146)
Show SMILES COc1ccc2c3C[C@@H](N)[C@@H](Oc3ccc2c1)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H16F3NO2/c1-25-11-3-4-12-10(6-11)2-5-19-13(12)8-18(24)20(26-19)14-7-16(22)17(23)9-15(14)21/h2-7,9,18,20H,8,24H2,1H3/t18-,20+/m1/s1
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n/an/a 813n/an/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198172
PNG
(CHEMBL3955701)
Show SMILES COc1ccc2ccc3O[C@H]([C@H](N)Cc3c2c1)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H16F3NO2/c1-25-11-4-2-10-3-5-19-13(12(10)6-11)8-18(24)20(26-19)14-7-16(22)17(23)9-15(14)21/h2-7,9,18,20H,8,24H2,1H3/t18-,20+/m1/s1
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n/an/a 2.93E+3n/an/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198188
PNG
(CHEMBL3971196)
Show SMILES Cc1cc(=O)oc2c3C[C@@H](N)[C@@H](Oc3ccc12)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C19H14F3NO3/c1-8-4-17(24)26-18-9(8)2-3-16-11(18)6-15(23)19(25-16)10-5-13(21)14(22)7-12(10)20/h2-5,7,15,19H,6,23H2,1H3/t15-,19+/m1/s1
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n/an/a 1.31E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using H-Gly-Pro-AMC peptide substrate assessed as increase in fluorescence for 20 mins by fluorimetric 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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198189
PNG
(CHEBI:4320 | DAPHNETICIN | Daphneticin)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1Oc2ccc3ccc(=O)oc3c2O[C@@H]1CO
Show InChI InChI=1S/C20H18O8/c1-24-13-7-11(8-14(25-2)17(13)23)18-15(9-21)27-20-12(26-18)5-3-10-4-6-16(22)28-19(10)20/h3-8,15,18,21,23H,9H2,1-2H3/t15-,18-/m1/s1
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n/an/a 1.41E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using H-Gly-Pro-AMC peptide substrate assessed as increase in fluorescence for 20 mins by fluorimetric 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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198187
PNG
(CHEMBL3929764)
Show SMILES Cc1cc(=O)oc2c3C[C@@H](N)[C@H](Oc3ccc12)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C19H14F3NO3/c1-8-4-17(24)26-18-9(8)2-3-16-11(18)6-15(23)19(25-16)10-5-13(21)14(22)7-12(10)20/h2-5,7,15,19H,6,23H2,1H3/t15-,19-/m1/s1
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n/an/a 2.15E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using H-Gly-Pro-AMC peptide substrate assessed as increase in fluorescence for 20 mins by fluorimetric 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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198182
PNG
(CHEMBL3968332)
Show SMILES Cc1cc(=O)oc2c3C[C@H](N)[C@@H](Oc3ccc12)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C19H14F3NO3/c1-8-4-17(24)26-18-9(8)2-3-16-11(18)6-15(23)19(25-16)10-5-13(21)14(22)7-12(10)20/h2-5,7,15,19H,6,23H2,1H3/t15-,19-/m0/s1
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n/an/a 5.09E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using H-Gly-Pro-AMC peptide substrate assessed as increase in fluorescence for 20 mins by fluorimetric 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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50003020
PNG
(MK-3102 | OMARIGLIPTIN | US10155775, Omarigliptin)
Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F
Show InChI InChI=1S/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m1/s1
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n/an/an/a 2.80n/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198181
PNG
(CHEMBL3941804)
Show SMILES COc1cc2ccc3O[C@@H]([C@@H](N)Cc3c2cc1OC)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H18F3NO3/c1-26-19-5-10-3-4-18-12(11(10)8-20(19)27-2)7-17(25)21(28-18)13-6-15(23)16(24)9-14(13)22/h3-6,8-9,17,21H,7,25H2,1-2H3/t17-,21+/m0/s1
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n/an/an/a 2.40n/an/an/an/an/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198186
PNG
(CHEMBL3944427)
Show SMILES COc1cc2c3C[C@H](N)[C@H](Oc3ccc2cc1S(C)(=O)=O)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H18F3NO4S/c1-28-19-8-11-10(5-20(19)30(2,26)27)3-4-18-12(11)7-17(25)21(29-18)13-6-15(23)16(24)9-14(13)22/h3-6,8-9,17,21H,7,25H2,1-2H3/t17-,21+/m0/s1
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n/an/an/a 1.10n/an/an/an/an/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
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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n/an/an/a 1.30n/an/an/an/an/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
3D Structure (crystal)
* indicates data uncertainty>20%