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PubMed code 21163664

Compile data set for download or QSAR
Found 24 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))		BDBM50333175
PNG
(CHEMBL1644848 | Methyl 1-{[5-(aminomethyl)-2-methy...)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)Cc1c(C)nc(CC(C)C)c(CN)c1-c1ccc(C)cc1 |r|
Show InChI InChI=1S/C26H35N3O3/c1-16(2)13-22-21(15-27)25(19-10-8-17(3)9-11-19)20(18(4)28-22)14-24(30)29-12-6-7-23(29)26(31)32-5/h8-11,16,23H,6-7,12-15,27H2,1-5H3/t23-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry

Bioorg Med Chem 19: 172-85 (2011)


Article DOI: 10.1016/j.bmc.2010.11.038
BindingDB Entry DOI: 10.7270/Q2TB174K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50333177
PNG
(1-{[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-...)
Show SMILES CC(C)Cc1nc(C)c(CC(=O)N2CCC[C@H]2C(N)=O)c(-c2ccc(C)cc2)c1CN |r|
Show InChI InChI=1S/C25H34N4O2/c1-15(2)12-21-20(14-26)24(18-9-7-16(3)8-10-18)19(17(4)28-21)13-23(30)29-11-5-6-22(29)25(27)31/h7-10,15,22H,5-6,11-14,26H2,1-4H3,(H2,27,31)/t22-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry

Bioorg Med Chem 19: 172-85 (2011)


Article DOI: 10.1016/j.bmc.2010.11.038
BindingDB Entry DOI: 10.7270/Q2TB174K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50333167
PNG
(3-({[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6...)
Show SMILES CC(C)Cc1nc(C)c(CC(=O)Nc2cccc(c2)C(C)=O)c(-c2ccc(C)cc2)c1CN
Show InChI InChI=1S/C28H33N3O2/c1-17(2)13-26-25(16-29)28(21-11-9-18(3)10-12-21)24(19(4)30-26)15-27(33)31-23-8-6-7-22(14-23)20(5)32/h6-12,14,17H,13,15-16,29H2,1-5H3,(H,31,33)
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n/an/a 1.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry

Bioorg Med Chem 19: 172-85 (2011)


Article DOI: 10.1016/j.bmc.2010.11.038
BindingDB Entry DOI: 10.7270/Q2TB174K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50333171
PNG
(2-[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(...)
Show SMILES CC(C)Cc1nc(C)c(CC(=O)Nc2cccc(c2)S(C)=O)c(-c2ccc(C)cc2)c1CN
Show InChI InChI=1S/C27H33N3O2S/c1-17(2)13-25-24(16-28)27(20-11-9-18(3)10-12-20)23(19(4)29-25)15-26(31)30-21-7-6-8-22(14-21)33(5)32/h6-12,14,17H,13,15-16,28H2,1-5H3,(H,30,31)
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n/an/a 2.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry

Bioorg Med Chem 19: 172-85 (2011)


Article DOI: 10.1016/j.bmc.2010.11.038
BindingDB Entry DOI: 10.7270/Q2TB174K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50333176
PNG
(1-{[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-...)
Show SMILES CC(C)Cc1nc(C)c(CC(=O)N2CCC[C@H]2C(O)=O)c(-c2ccc(C)cc2)c1CN |r|
Show InChI InChI=1S/C25H33N3O3/c1-15(2)12-21-20(14-26)24(18-9-7-16(3)8-10-18)19(17(4)27-21)13-23(29)28-11-5-6-22(28)25(30)31/h7-10,15,22H,5-6,11-14,26H2,1-4H3,(H,30,31)/t22-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry

Bioorg Med Chem 19: 172-85 (2011)


Article DOI: 10.1016/j.bmc.2010.11.038
BindingDB Entry DOI: 10.7270/Q2TB174K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50333164
PNG
(CHEMBL1644837 | Methyl3-({[5-(aminomethyl)-2-methy...)
Show SMILES COC(=O)c1cccc(NC(=O)Cc2c(C)nc(CC(C)C)c(CN)c2-c2ccc(C)cc2)c1
Show InChI InChI=1S/C28H33N3O3/c1-17(2)13-25-24(16-29)27(20-11-9-18(3)10-12-20)23(19(4)30-25)15-26(32)31-22-8-6-7-21(14-22)28(33)34-5/h6-12,14,17H,13,15-16,29H2,1-5H3,(H,31,32)
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n/an/a 3.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry

Bioorg Med Chem 19: 172-85 (2011)


Article DOI: 10.1016/j.bmc.2010.11.038
BindingDB Entry DOI: 10.7270/Q2TB174K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50333179
PNG
(1-{[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-...)
Show SMILES CC(C)Cc1nc(C)c(CC(=O)N2CCC[C@@H]2C(O)=O)c(-c2ccc(C)cc2)c1CN |r|
Show InChI InChI=1S/C25H33N3O3/c1-15(2)12-21-20(14-26)24(18-9-7-16(3)8-10-18)19(17(4)27-21)13-23(29)28-11-5-6-22(28)25(30)31/h7-10,15,22H,5-6,11-14,26H2,1-4H3,(H,30,31)/t22-/m1/s1
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n/an/a 7.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry

Bioorg Med Chem 19: 172-85 (2011)


Article DOI: 10.1016/j.bmc.2010.11.038
BindingDB Entry DOI: 10.7270/Q2TB174K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50333166
PNG
(CHEMBL1644839 | N-(3-Acetylphenyl)-2-[5-(aminometh...)
Show SMILES CC(C)Cc1nc(C)c(CC(=O)Nc2cccc(c2)C(N)=O)c(-c2ccc(C)cc2)c1CN
Show InChI InChI=1S/C27H32N4O2/c1-16(2)12-24-23(15-28)26(19-10-8-17(3)9-11-19)22(18(4)30-24)14-25(32)31-21-7-5-6-20(13-21)27(29)33/h5-11,13,16H,12,14-15,28H2,1-4H3,(H2,29,33)(H,31,32)
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n/an/a 8.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry

Bioorg Med Chem 19: 172-85 (2011)


Article DOI: 10.1016/j.bmc.2010.11.038
BindingDB Entry DOI: 10.7270/Q2TB174K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50333172
PNG
(2-[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(...)
Show SMILES CC(C)Cc1nc(C)c(CC(=O)Nc2cccc(c2)S(C)(=O)=O)c(-c2ccc(C)cc2)c1CN
Show InChI InChI=1S/C27H33N3O3S/c1-17(2)13-25-24(16-28)27(20-11-9-18(3)10-12-20)23(19(4)29-25)15-26(31)30-21-7-6-8-22(14-21)34(5,32)33/h6-12,14,17H,13,15-16,28H2,1-5H3,(H,30,31)
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n/an/a 8.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry

Bioorg Med Chem 19: 172-85 (2011)


Article DOI: 10.1016/j.bmc.2010.11.038
BindingDB Entry DOI: 10.7270/Q2TB174K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50333173
PNG
(CHEMBL1644846 | Methyl 1-{[5-(aminomethyl)-2-methy...)
Show SMILES COC(=O)C1CCN(C1)C(=O)Cc1c(C)nc(CC(C)C)c(CN)c1-c1ccc(C)cc1
Show InChI InChI=1S/C26H35N3O3/c1-16(2)12-23-22(14-27)25(19-8-6-17(3)7-9-19)21(18(4)28-23)13-24(30)29-11-10-20(15-29)26(31)32-5/h6-9,16,20H,10-15,27H2,1-5H3
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n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry

Bioorg Med Chem 19: 172-85 (2011)


Article DOI: 10.1016/j.bmc.2010.11.038
BindingDB Entry DOI: 10.7270/Q2TB174K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50333180
PNG
(1-{[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-...)
Show SMILES CC(C)Cc1nc(C)c(CC(=O)N2CCC[C@@H]2C(N)=O)c(-c2ccc(C)cc2)c1CN |r|
Show InChI InChI=1S/C25H34N4O2/c1-15(2)12-21-20(14-26)24(18-9-7-16(3)8-10-18)19(17(4)28-21)13-23(30)29-11-5-6-22(29)25(27)31/h7-10,15,22H,5-6,11-14,26H2,1-4H3,(H2,27,31)/t22-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry

Bioorg Med Chem 19: 172-85 (2011)


Article DOI: 10.1016/j.bmc.2010.11.038
BindingDB Entry DOI: 10.7270/Q2TB174K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50333182
PNG
(CHEMBL1644855 | Methyl N-{[5-(aminomethyl)-2-methy...)
Show SMILES COC(=O)CNC(=O)Cc1c(C)nc(CC(C)C)c(CN)c1-c1ccc(C)cc1
Show InChI InChI=1S/C23H31N3O3/c1-14(2)10-20-19(12-24)23(17-8-6-15(3)7-9-17)18(16(4)26-20)11-21(27)25-13-22(28)29-5/h6-9,14H,10-13,24H2,1-5H3,(H,25,27)
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n/an/a 17n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry

Bioorg Med Chem 19: 172-85 (2011)


Article DOI: 10.1016/j.bmc.2010.11.038
BindingDB Entry DOI: 10.7270/Q2TB174K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50333184
PNG
(5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-m...)
Show SMILES CC(C)Cc1nc(C)c(C(O)=O)c(-c2ccc(C)cc2)c1CN
Show InChI InChI=1S/C19H24N2O2/c1-11(2)9-16-15(10-20)18(14-7-5-12(3)6-8-14)17(19(22)23)13(4)21-16/h5-8,11H,9-10,20H2,1-4H3,(H,22,23)
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n/an/a 18n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry

Bioorg Med Chem 19: 172-85 (2011)


Article DOI: 10.1016/j.bmc.2010.11.038
BindingDB Entry DOI: 10.7270/Q2TB174K
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50333165
PNG
(3-({[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6...)
Show SMILES CC(C)Cc1nc(C)c(CC(=O)Nc2cccc(c2)C(O)=O)c(-c2ccc(C)cc2)c1CN
Show InChI InChI=1S/C27H31N3O3/c1-16(2)12-24-23(15-28)26(19-10-8-17(3)9-11-19)22(18(4)29-24)14-25(31)30-21-7-5-6-20(13-21)27(32)33/h5-11,13,16H,12,14-15,28H2,1-4H3,(H,30,31)(H,32,33)
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n/an/a 19n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry

Bioorg Med Chem 19: 172-85 (2011)


Article DOI: 10.1016/j.bmc.2010.11.038
BindingDB Entry DOI: 10.7270/Q2TB174K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50333168
PNG
(CHEMBL1644841 | Methyl2-({[5-(aminomethyl)-2-methy...)
Show SMILES COC(=O)c1ccccc1NC(=O)Cc1c(C)nc(CC(C)C)c(CN)c1-c1ccc(C)cc1
Show InChI InChI=1S/C28H33N3O3/c1-17(2)14-25-23(16-29)27(20-12-10-18(3)11-13-20)22(19(4)30-25)15-26(32)31-24-9-7-6-8-21(24)28(33)34-5/h6-13,17H,14-16,29H2,1-5H3,(H,31,32)
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n/an/a 19n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry

Bioorg Med Chem 19: 172-85 (2011)


Article DOI: 10.1016/j.bmc.2010.11.038
BindingDB Entry DOI: 10.7270/Q2TB174K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50333169
PNG
(CHEMBL1644842 | Methyl 4-({[5-(aminomethyl)-2-meth...)
Show SMILES COC(=O)c1cscc1NC(=O)Cc1c(C)nc(CC(C)C)c(CN)c1-c1ccc(C)cc1
Show InChI InChI=1S/C26H31N3O3S/c1-15(2)10-22-20(12-27)25(18-8-6-16(3)7-9-18)19(17(4)28-22)11-24(30)29-23-14-33-13-21(23)26(31)32-5/h6-9,13-15H,10-12,27H2,1-5H3,(H,29,30)
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n/an/a 23n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry

Bioorg Med Chem 19: 172-85 (2011)


Article DOI: 10.1016/j.bmc.2010.11.038
BindingDB Entry DOI: 10.7270/Q2TB174K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50333178
PNG
(CHEMBL1644851 | Methyl 1-{[5-(aminomethyl)-2-methy...)
Show SMILES COC(=O)[C@H]1CCCN1C(=O)Cc1c(C)nc(CC(C)C)c(CN)c1-c1ccc(C)cc1 |r|
Show InChI InChI=1S/C26H35N3O3/c1-16(2)13-22-21(15-27)25(19-10-8-17(3)9-11-19)20(18(4)28-22)14-24(30)29-12-6-7-23(29)26(31)32-5/h8-11,16,23H,6-7,12-15,27H2,1-5H3/t23-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry

Bioorg Med Chem 19: 172-85 (2011)


Article DOI: 10.1016/j.bmc.2010.11.038
BindingDB Entry DOI: 10.7270/Q2TB174K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50333170
PNG
(4-({[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6...)
Show SMILES CC(C)Cc1nc(C)c(CC(=O)Nc2cscc2C(O)=O)c(-c2ccc(C)cc2)c1CN
Show InChI InChI=1S/C25H29N3O3S/c1-14(2)9-21-19(11-26)24(17-7-5-15(3)6-8-17)18(16(4)27-21)10-23(29)28-22-13-32-12-20(22)25(30)31/h5-8,12-14H,9-11,26H2,1-4H3,(H,28,29)(H,30,31)
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n/an/a 30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry

Bioorg Med Chem 19: 172-85 (2011)


Article DOI: 10.1016/j.bmc.2010.11.038
BindingDB Entry DOI: 10.7270/Q2TB174K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50333174
PNG
(1-[6-Methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-...)
Show SMILES CC(C)Cc1nc(C)c(CC(=O)N2CCC(C2)S(C)(=O)=O)c(-c2ccc(C)cc2)c1CN
Show InChI InChI=1S/C25H35N3O3S/c1-16(2)12-23-22(14-26)25(19-8-6-17(3)7-9-19)21(18(4)27-23)13-24(29)28-11-10-20(15-28)32(5,30)31/h6-9,16,20H,10-15,26H2,1-5H3
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n/an/a 53n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry

Bioorg Med Chem 19: 172-85 (2011)


Article DOI: 10.1016/j.bmc.2010.11.038
BindingDB Entry DOI: 10.7270/Q2TB174K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50333181
PNG
(2-[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(...)
Show SMILES CNC(=O)Cc1c(C)nc(CC(C)C)c(CN)c1-c1ccc(C)cc1
Show InChI InChI=1S/C21H29N3O/c1-13(2)10-19-18(12-22)21(16-8-6-14(3)7-9-16)17(15(4)24-19)11-20(25)23-5/h6-9,13H,10-12,22H2,1-5H3,(H,23,25)
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n/an/a 69n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry

Bioorg Med Chem 19: 172-85 (2011)


Article DOI: 10.1016/j.bmc.2010.11.038
BindingDB Entry DOI: 10.7270/Q2TB174K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50333183
PNG
(CHEMBL1644856 | N-{[5-(Aminomethyl)-2-methyl-4-(4-...)
Show SMILES CC(C)Cc1nc(C)c(CC(=O)NCC(O)=O)c(-c2ccc(C)cc2)c1CN
Show InChI InChI=1S/C22H29N3O3/c1-13(2)9-19-18(11-23)22(16-7-5-14(3)6-8-16)17(15(4)25-19)10-20(26)24-12-21(27)28/h5-8,13H,9-12,23H2,1-4H3,(H,24,26)(H,27,28)
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n/an/a 73n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry

Bioorg Med Chem 19: 172-85 (2011)


Article DOI: 10.1016/j.bmc.2010.11.038
BindingDB Entry DOI: 10.7270/Q2TB174K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))		BDBM50333177
PNG
(1-{[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-...)
Show SMILES CC(C)Cc1nc(C)c(CC(=O)N2CCC[C@H]2C(N)=O)c(-c2ccc(C)cc2)c1CN |r|
Show InChI InChI=1S/C25H34N4O2/c1-15(2)12-21-20(14-26)24(18-9-7-16(3)8-10-18)19(17(4)28-21)13-23(30)29-11-5-6-22(29)25(27)31/h7-10,15,22H,5-6,11-14,26H2,1-4H3,(H2,27,31)/t22-/m0/s1
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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 human DDP9 expressed in HEK293-F cells after 90 mins by spectrophotometry

Bioorg Med Chem 19: 172-85 (2011)


Article DOI: 10.1016/j.bmc.2010.11.038
BindingDB Entry DOI: 10.7270/Q2TB174K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))		BDBM50333177
PNG
(1-{[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-...)
Show SMILES CC(C)Cc1nc(C)c(CC(=O)N2CCC[C@H]2C(N)=O)c(-c2ccc(C)cc2)c1CN |r|
Show InChI InChI=1S/C25H34N4O2/c1-15(2)12-21-20(14-26)24(18-9-7-16(3)8-10-18)19(17(4)28-21)13-23(30)29-11-5-6-22(29)25(27)31/h7-10,15,22H,5-6,11-14,26H2,1-4H3,(H2,27,31)/t22-/m0/s1
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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 human DDP8 expressed in HEK293-F cells after 90 mins by spectrophotometry

Bioorg Med Chem 19: 172-85 (2011)


Article DOI: 10.1016/j.bmc.2010.11.038
BindingDB Entry DOI: 10.7270/Q2TB174K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Rattus norvegicus)		BDBM50333177
PNG
(1-{[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-...)
Show SMILES CC(C)Cc1nc(C)c(CC(=O)N2CCC[C@H]2C(N)=O)c(-c2ccc(C)cc2)c1CN |r|
Show InChI InChI=1S/C25H34N4O2/c1-15(2)12-21-20(14-26)24(18-9-7-16(3)8-10-18)19(17(4)28-21)13-23(30)29-11-5-6-22(29)25(27)31/h7-10,15,22H,5-6,11-14,26H2,1-4H3,(H2,27,31)/t22-/m0/s1
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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 rat kidney DDP2 after 60 mins by spectrophotometry

Bioorg Med Chem 19: 172-85 (2011)


Article DOI: 10.1016/j.bmc.2010.11.038
BindingDB Entry DOI: 10.7270/Q2TB174K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%