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PubMed code 21764322

Compile data set for download or QSAR
Found 33 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


(Rattus norvegicus (rat))		BDBM123780
PNG
(2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4- ph...)
Show SMILES CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(OCC(N)=O)ccc2c1=O
Show InChI InChI=1S/C22H25N3O3/c1-14(2)12-25-19(11-23)21(15-6-4-3-5-7-15)18-10-16(28-13-20(24)26)8-9-17(18)22(25)27/h3-10,14H,11-13,23H2,1-2H3,(H2,24,26)
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n/an/a 150n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma incubated for 60 mins using H-lys-Ala-pNA.2HCl substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM123780
PNG
(2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4- ph...)
Show SMILES CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(OCC(N)=O)ccc2c1=O
Show InChI InChI=1S/C22H25N3O3/c1-14(2)12-25-19(11-23)21(15-6-4-3-5-7-15)18-10-16(28-13-20(24)26)8-9-17(18)22(25)27/h3-10,14H,11-13,23H2,1-2H3,(H2,24,26)
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n/an/a 240n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 isolated from from human CaCo2 cells incubated for 15 mins using Gly-Pro-pNA.Tos substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50350582
PNG
(CHEMBL1812910)
Show SMILES CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(\C=C\C(N)=O)ccc2c1=O
Show InChI InChI=1S/C23H25N3O2/c1-15(2)14-26-20(13-24)22(17-6-4-3-5-7-17)19-12-16(9-11-21(25)27)8-10-18(19)23(26)28/h3-12,15H,13-14,24H2,1-2H3,(H2,25,27)/b11-9+
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n/an/a 270n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma incubated for 60 mins using H-lys-Ala-pNA.2HCl substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50350582
PNG
(CHEMBL1812910)
Show SMILES CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(\C=C\C(N)=O)ccc2c1=O
Show InChI InChI=1S/C23H25N3O2/c1-15(2)14-26-20(13-24)22(17-6-4-3-5-7-17)19-12-16(9-11-21(25)27)8-10-18(19)23(26)28/h3-12,15H,13-14,24H2,1-2H3,(H2,25,27)/b11-9+
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n/an/a 280n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 isolated from from human CaCo2 cells incubated for 15 mins using Gly-Pro-pNA.Tos substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM123781
PNG
(3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4- phenyl...)
Show SMILES CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(ccc2c1=O)C(N)=O
Show InChI InChI=1S/C21H23N3O2/c1-13(2)12-24-18(11-22)19(14-6-4-3-5-7-14)17-10-15(20(23)25)8-9-16(17)21(24)26/h3-10,13H,11-12,22H2,1-2H3,(H2,23,25)
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n/an/a 360n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 isolated from from human CaCo2 cells incubated for 15 mins using Gly-Pro-pNA.Tos substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM123781
PNG
(3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4- phenyl...)
Show SMILES CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(ccc2c1=O)C(N)=O
Show InChI InChI=1S/C21H23N3O2/c1-13(2)12-24-18(11-22)19(14-6-4-3-5-7-14)17-10-15(20(23)25)8-9-16(17)21(24)26/h3-10,13H,11-12,22H2,1-2H3,(H2,23,25)
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n/an/a 550n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma incubated for 60 mins using H-lys-Ala-pNA.2HCl substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50350579
PNG
(CHEMBL1812906)
Show SMILES CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(O)ccc2c1=O
Show InChI InChI=1S/C20H22N2O2/c1-13(2)12-22-18(11-21)19(14-6-4-3-5-7-14)17-10-15(23)8-9-16(17)20(22)24/h3-10,13,23H,11-12,21H2,1-2H3
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n/an/a 790n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 isolated from from human CaCo2 cells incubated for 15 mins using Gly-Pro-pNA.Tos substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50350580
PNG
(CHEMBL1812907)
Show SMILES COc1ccc2c(c1)c(-c1ccccc1)c(CN)n(CC(C)C)c2=O
Show InChI InChI=1S/C21H24N2O2/c1-14(2)13-23-19(12-22)20(15-7-5-4-6-8-15)18-11-16(25-3)9-10-17(18)21(23)24/h4-11,14H,12-13,22H2,1-3H3
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n/an/a 870n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 isolated from from human CaCo2 cells incubated for 15 mins using Gly-Pro-pNA.Tos substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50350573
PNG
(CHEMBL1812900)
Show SMILES CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(ccc2c1=O)C(O)=O
Show InChI InChI=1S/C21H22N2O3/c1-13(2)12-23-18(11-22)19(14-6-4-3-5-7-14)17-10-15(21(25)26)8-9-16(17)20(23)24/h3-10,13H,11-12,22H2,1-2H3,(H,25,26)
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n/an/a 980n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 isolated from from human CaCo2 cells incubated for 15 mins using Gly-Pro-pNA.Tos substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50350581
PNG
(CHEMBL1812909)
Show SMILES CC(C)Cn1c(CN)c(-c2ccccc2)c2ccc(OCC(N)=O)cc2c1=O
Show InChI InChI=1S/C22H25N3O3/c1-14(2)12-25-19(11-23)21(15-6-4-3-5-7-15)17-9-8-16(28-13-20(24)26)10-18(17)22(25)27/h3-10,14H,11-13,23H2,1-2H3,(H2,24,26)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 isolated from from human CaCo2 cells incubated for 15 mins using Gly-Pro-pNA.Tos substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50350575
PNG
(CHEMBL1812902)
Show SMILES CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(ccc2c1=O)C#N
Show InChI InChI=1S/C21H21N3O/c1-14(2)13-24-19(12-23)20(16-6-4-3-5-7-16)18-10-15(11-22)8-9-17(18)21(24)25/h3-10,14H,12-13,23H2,1-2H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 isolated from from human CaCo2 cells incubated for 15 mins using Gly-Pro-pNA.Tos substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50350583
PNG
(CHEMBL1812911)
Show SMILES CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(CCC(N)=O)ccc2c1=O
Show InChI InChI=1S/C23H27N3O2/c1-15(2)14-26-20(13-24)22(17-6-4-3-5-7-17)19-12-16(9-11-21(25)27)8-10-18(19)23(26)28/h3-8,10,12,15H,9,11,13-14,24H2,1-2H3,(H2,25,27)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 isolated from from human CaCo2 cells incubated for 15 mins using Gly-Pro-pNA.Tos substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50350570
PNG
(CHEMBL1812736)
Show SMILES CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C20H21ClN2O/c1-13(2)12-23-18(11-22)19(14-6-4-3-5-7-14)17-10-15(21)8-9-16(17)20(23)24/h3-10,13H,11-12,22H2,1-2H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 isolated from from human CaCo2 cells incubated for 15 mins using Gly-Pro-pNA.Tos substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50350572
PNG
(CHEMBL1812738)
Show SMILES CC(C)(C)Cn1c(CN)c(-c2ccccc2)c2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C21H23ClN2O/c1-21(2,3)13-24-18(12-23)19(14-7-5-4-6-8-14)17-11-15(22)9-10-16(17)20(24)25/h4-11H,12-13,23H2,1-3H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 isolated from from human CaCo2 cells incubated for 15 mins using Gly-Pro-pNA.Tos substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50350577
PNG
(CHEMBL1812904)
Show SMILES CNC(=O)c1ccc2c(c1)c(-c1ccccc1)c(CN)n(CC(C)C)c2=O
Show InChI InChI=1S/C22H25N3O2/c1-14(2)13-25-19(12-23)20(15-7-5-4-6-8-15)18-11-16(21(26)24-3)9-10-17(18)22(25)27/h4-11,14H,12-13,23H2,1-3H3,(H,24,26)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 isolated from from human CaCo2 cells incubated for 15 mins using Gly-Pro-pNA.Tos substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50350569
PNG
(CHEMBL1812735)
Show SMILES CCCCn1c(CN)c(-c2ccccc2)c2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C20H21ClN2O/c1-2-3-11-23-18(13-22)19(14-7-5-4-6-8-14)17-12-15(21)9-10-16(17)20(23)24/h4-10,12H,2-3,11,13,22H2,1H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 isolated from from human CaCo2 cells incubated for 15 mins using Gly-Pro-pNA.Tos substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50350576
PNG
(CHEMBL1812903)
Show SMILES CC(C)Cn1c(CN)c(-c2ccccc2)c2ccc(cc2c1=O)C(N)=O
Show InChI InChI=1S/C21H23N3O2/c1-13(2)12-24-18(11-22)19(14-6-4-3-5-7-14)16-9-8-15(20(23)25)10-17(16)21(24)26/h3-10,13H,11-12,22H2,1-2H3,(H2,23,25)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 isolated from from human CaCo2 cells incubated for 15 mins using Gly-Pro-pNA.Tos substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50350584
PNG
(CHEMBL1812734)
Show SMILES CCCn1c(CN)c(-c2ccccc2)c2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C19H19ClN2O/c1-2-10-22-17(12-21)18(13-6-4-3-5-7-13)16-11-14(20)8-9-15(16)19(22)23/h3-9,11H,2,10,12,21H2,1H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 isolated from from human CaCo2 cells incubated for 15 mins using Gly-Pro-pNA.Tos substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50350571
PNG
(CHEMBL1812737)
Show SMILES CCCCCn1c(CN)c(-c2ccccc2)c2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C21H23ClN2O/c1-2-3-7-12-24-19(14-23)20(15-8-5-4-6-9-15)18-13-16(22)10-11-17(18)21(24)25/h4-6,8-11,13H,2-3,7,12,14,23H2,1H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 isolated from from human CaCo2 cells incubated for 15 mins using Gly-Pro-pNA.Tos substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50350578
PNG
(CHEMBL1812905)
Show SMILES CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(ccc2c1=O)C(=O)N(C)C
Show InChI InChI=1S/C23H27N3O2/c1-15(2)14-26-20(13-24)21(16-8-6-5-7-9-16)19-12-17(22(27)25(3)4)10-11-18(19)23(26)28/h5-12,15H,13-14,24H2,1-4H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 isolated from from human CaCo2 cells incubated for 15 mins using Gly-Pro-pNA.Tos substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50350568
PNG
(CHEMBL1812733)
Show SMILES CCn1c(CN)c(-c2ccccc2)c2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C18H17ClN2O/c1-2-21-16(11-20)17(12-6-4-3-5-7-12)15-10-13(19)8-9-14(15)18(21)22/h3-10H,2,11,20H2,1H3
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n/an/a 8.30E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 isolated from from human CaCo2 cells incubated for 15 mins using Gly-Pro-pNA.Tos substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50350563
PNG
(CHEMBL1812728 | CHEMBL1812728 (26))
Show SMILES Cn1c(CN)c(-c2ccccc2)c2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C17H15ClN2O/c1-20-15(10-19)16(11-5-3-2-4-6-11)14-9-12(18)7-8-13(14)17(20)21/h2-9H,10,19H2,1H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 isolated from from human CaCo2 cells incubated for 15 mins using Gly-Pro-pNA.Tos substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Bos taurus)		BDBM123781
PNG
(3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4- phenyl...)
Show SMILES CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(ccc2c1=O)C(N)=O
Show InChI InChI=1S/C21H23N3O2/c1-13(2)12-24-18(11-22)19(14-6-4-3-5-7-14)17-10-15(20(23)25)8-9-16(17)21(24)26/h3-10,13H,11-12,22H2,1-2H3,(H2,23,25)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine spleen capthepsin C

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM123781
PNG
(3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4- phenyl...)
Show SMILES CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(ccc2c1=O)C(N)=O
Show InChI InChI=1S/C21H23N3O2/c1-13(2)12-24-18(11-22)19(14-6-4-3-5-7-14)17-10-15(20(23)25)8-9-16(17)21(24)26/h3-10,13H,11-12,22H2,1-2H3,(H2,23,25)
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n/an/a 3.80E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat spleen incubated for 60 mins using H-lys-Ala-pNA.2HCl substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM123780
PNG
(2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4- ph...)
Show SMILES CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(OCC(N)=O)ccc2c1=O
Show InChI InChI=1S/C22H25N3O3/c1-14(2)12-25-19(11-23)21(15-6-4-3-5-7-15)18-10-16(28-13-20(24)26)8-9-17(18)22(25)27/h3-10,14H,11-13,23H2,1-2H3,(H2,24,26)
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n/an/a 6.10E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat spleen incubated for 60 mins using H-lys-Ala-pNA.2HCl substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM50350582
PNG
(CHEMBL1812910)
Show SMILES CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(\C=C\C(N)=O)ccc2c1=O
Show InChI InChI=1S/C23H25N3O2/c1-15(2)14-26-20(13-24)22(17-6-4-3-5-7-17)19-12-16(9-11-21(25)27)8-10-18(19)23(26)28/h3-12,15H,13-14,24H2,1-2H3,(H2,25,27)/b11-9+
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n/an/a 7.40E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat spleen incubated for 60 mins using H-lys-Ala-pNA.2HCl substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50350564
PNG
(CHEMBL1812729)
Show SMILES Cn1c(CCN)c(-c2ccccc2)c2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C18H17ClN2O/c1-21-16(9-10-20)17(12-5-3-2-4-6-12)15-11-13(19)7-8-14(15)18(21)22/h2-8,11H,9-10,20H2,1H3
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n/an/a 8.70E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 isolated from from human CaCo2 cells incubated for 15 mins using Gly-Pro-pNA.Tos substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50350566
PNG
(CHEMBL1812731)
Show SMILES CNCc1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1CC(C)C
Show InChI InChI=1S/C21H23ClN2O/c1-14(2)13-24-19(12-23-3)20(15-7-5-4-6-8-15)18-11-16(22)9-10-17(18)21(24)25/h4-11,14,23H,12-13H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 isolated from from human CaCo2 cells incubated for 15 mins using Gly-Pro-pNA.Tos substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Bos taurus)		BDBM123780
PNG
(2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4- ph...)
Show SMILES CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(OCC(N)=O)ccc2c1=O
Show InChI InChI=1S/C22H25N3O3/c1-14(2)12-25-19(11-23)21(15-6-4-3-5-7-15)18-10-16(28-13-20(24)26)8-9-17(18)22(25)27/h3-10,14H,11-13,23H2,1-2H3,(H2,24,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine spleen capthepsin C

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50350562
PNG
(CHEMBL1812727)
Show SMILES Cn1c(CO)c(-c2ccccc2)c2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C17H14ClNO2/c1-19-15(10-20)16(11-5-3-2-4-6-11)14-9-12(18)7-8-13(14)17(19)21/h2-9,20H,10H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 isolated from from human CaCo2 cells incubated for 15 mins using Gly-Pro-pNA.Tos substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50350567
PNG
(CHEMBL1812732)
Show SMILES CC(C)Cn1c(CN(C)C)c(-c2ccccc2)c2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C22H25ClN2O/c1-15(2)13-25-20(14-24(3)4)21(16-8-6-5-7-9-16)19-12-17(23)10-11-18(19)22(25)26/h5-12,15H,13-14H2,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 isolated from from human CaCo2 cells incubated for 15 mins using Gly-Pro-pNA.Tos substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50350565
PNG
(CHEMBL1812730)
Show SMILES Cn1c(N)c(-c2ccccc2)c2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C16H13ClN2O/c1-19-15(18)14(10-5-3-2-4-6-10)13-9-11(17)7-8-12(13)16(19)20/h2-9H,18H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 isolated from from human CaCo2 cells incubated for 15 mins using Gly-Pro-pNA.Tos substrate

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Bos taurus)		BDBM50350582
PNG
(CHEMBL1812910)
Show SMILES CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(\C=C\C(N)=O)ccc2c1=O
Show InChI InChI=1S/C23H25N3O2/c1-15(2)14-26-20(13-24)22(17-6-4-3-5-7-17)19-12-16(9-11-21(25)27)8-10-18(19)23(26)28/h3-12,15H,13-14,24H2,1-2H3,(H2,25,27)/b11-9+
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n/an/a 1.70E+5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine spleen capthepsin C

Bioorg Med Chem 19: 4953-70 (2011)


Article DOI: 10.1016/j.bmc.2011.06.059
BindingDB Entry DOI: 10.7270/Q2C53MVJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%