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PubMed code 21186796

Compile data set for download or QSAR
Found 83 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 (DPP4)


(Homo sapiens (human))
BDBM50335797
PNG
(2-[2-(3-(R)-Aminopyrimidin-1-yl)-5-bromo-6-oxo-6H-...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(Br)c(=O)n1Cc1sccc1C#N
Show InChI InChI=1S/C15H16BrN5OS/c16-12-7-19-15(20-4-1-2-11(18)8-20)21(14(12)22)9-13-10(6-17)3-5-23-13/h3,5,7,11H,1-2,4,8-9,18H2/t11-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335792
PNG
(2-{6-[3(R)-Aminopiperidin-1-yl]-2,4-dioxo-3,4-dihy...)
Show SMILES N[C@@H]1CCCN(C1)c1cc(=O)[nH]c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C17H19N5O2/c18-9-12-4-1-2-5-13(12)10-22-16(8-15(23)20-17(22)24)21-7-3-6-14(19)11-21/h1-2,4-5,8,14H,3,6-7,10-11,19H2,(H,20,23,24)/t14-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335768
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-methoxy-6-oxo-6...)
Show SMILES COc1cnc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O
Show InChI InChI=1S/C18H21N5O2/c1-25-16-10-21-18(22-8-4-7-15(20)12-22)23(17(16)24)11-14-6-3-2-5-13(14)9-19/h2-3,5-6,10,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335784
PNG
(2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O
Show InChI InChI=1S/C18H20FN5O2/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3/t15-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335756
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-prop-1-ynyl-6-o...)
Show SMILES CC#Cc1cnc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O
Show InChI InChI=1S/C20H21N5O/c1-2-6-16-12-23-20(24-10-5-9-18(22)14-24)25(19(16)26)13-17-8-4-3-7-15(17)11-21/h3-4,7-8,12,18H,5,9-10,13-14,22H2,1H3/t18-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335757
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-ethynyl-6-oxo-6...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(C#C)c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C19H19N5O/c1-2-14-11-22-19(23-9-5-8-17(21)13-23)24(18(14)25)12-16-7-4-3-6-15(16)10-20/h1,3-4,6-7,11,17H,5,8-9,12-13,21H2/t17-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335759
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-6-oxo-5-(1H-pyrro...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(-c2cc[nH]c2)c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C21H22N6O/c22-10-15-4-1-2-5-17(15)13-27-20(28)19(16-7-8-24-11-16)12-25-21(27)26-9-3-6-18(23)14-26/h1-2,4-5,7-8,11-12,18,24H,3,6,9,13-14,23H2/t18-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335774
PNG
(2-((2-(3-(R)-Aminopiperidin-1-yl)-5-bromo-6-oxopyr...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(Br)c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C17H18BrN5O/c18-15-9-21-17(22-7-3-6-14(20)11-22)23(16(15)24)10-13-5-2-1-4-12(13)8-19/h1-2,4-5,9,14H,3,6-7,10-11,20H2/t14-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335777
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-fluoro-6-oxo-6H...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(F)c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C17H18FN5O/c18-15-9-21-17(22-7-3-6-14(20)11-22)23(16(15)24)10-13-5-2-1-4-12(13)8-19/h1-2,4-5,9,14H,3,6-7,10-11,20H2/t14-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335771
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-iodo-6-oxo-6H-p...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(I)c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C17H18IN5O/c18-15-9-21-17(22-7-3-6-14(20)11-22)23(16(15)24)10-13-5-2-1-4-12(13)8-19/h1-2,4-5,9,14H,3,6-7,10-11,20H2/t14-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335793
PNG
(2-((2-(3-(R)-Aminopiperidin-1-yl)-5-bromo-6-oxopyr...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(Br)c(=O)n1Cc1cc(F)ccc1C#N
Show InChI InChI=1S/C17H17BrFN5O/c18-15-8-22-17(23-5-1-2-14(21)10-23)24(16(15)25)9-12-6-13(19)4-3-11(12)7-20/h3-4,6,8,14H,1-2,5,9-10,21H2/t14-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335798
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-6-oxo-5-((E)-2-py...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(\C=C\c2cccnc2)c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C24H24N6O/c25-13-19-6-1-2-7-21(19)16-30-23(31)20(10-9-18-5-3-11-27-14-18)15-28-24(30)29-12-4-8-22(26)17-29/h1-3,5-7,9-11,14-15,22H,4,8,12,16-17,26H2/b10-9+/t22-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM16285
PNG
(2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O
Show InChI InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335775
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-chloro-6-oxo-6H...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(Cl)c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C17H18ClN5O/c18-15-9-21-17(22-7-3-6-14(20)11-22)23(16(15)24)10-13-5-2-1-4-12(13)8-19/h1-2,4-5,9,14H,3,6-7,10-11,20H2/t14-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335795
PNG
(2-((2-(3-(R)-Aminopiperidin-1-yl)-5-fluoro-6-oxopy...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(F)c(=O)n1Cc1cc(F)ccc1C#N
Show InChI InChI=1S/C17H17F2N5O/c18-13-4-3-11(7-20)12(6-13)9-24-16(25)15(19)8-22-17(24)23-5-1-2-14(21)10-23/h3-4,6,8,14H,1-2,5,9-10,21H2/t14-/m1/s1
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Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335773
PNG
(2[2-(3-(R)-Aminopiperidin-1-yl)-5-bromo-4-methyl-6...)
Show SMILES Cc1nc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c(=O)c1Br
Show InChI InChI=1S/C18H20BrN5O/c1-12-16(19)17(25)24(10-14-6-3-2-5-13(14)9-20)18(22-12)23-8-4-7-15(21)11-23/h2-3,5-6,15H,4,7-8,10-11,21H2,1H3/t15-/m1/s1
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Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335794
PNG
(2-((2-(3-(R)-Aminopiperidin-1-yl)-5-chloro-6-oxopy...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(Cl)c(=O)n1Cc1cc(F)ccc1C#N
Show InChI InChI=1S/C17H17ClFN5O/c18-15-8-22-17(23-5-1-2-14(21)10-23)24(16(15)25)9-12-6-13(19)4-3-11(12)7-20/h3-4,6,8,14H,1-2,5,9-10,21H2/t14-/m1/s1
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Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335753
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-6-oxo-5-vinyl-6H-...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(C=C)c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C19H21N5O/c1-2-14-11-22-19(23-9-5-8-17(21)13-23)24(18(14)25)12-16-7-4-3-6-15(16)10-20/h2-4,6-7,11,17H,1,5,8-9,12-13,21H2/t17-/m1/s1
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Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335787
PNG
(6-[3-(R)-Aminopiperidin-1-yl]-1-(2-bromo-5-fluorob...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2Br)c1=O
Show InChI InChI=1S/C17H20BrFN4O2/c1-21-16(24)8-15(22-6-2-3-13(20)10-22)23(17(21)25)9-11-7-12(19)4-5-14(11)18/h4-5,7-8,13H,2-3,6,9-10,20H2,1H3/t13-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335770
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-4,5-dimethyl-6-ox...)
Show SMILES Cc1nc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c(=O)c1C
Show InChI InChI=1S/C19H23N5O/c1-13-14(2)22-19(23-9-5-8-17(21)12-23)24(18(13)25)11-16-7-4-3-6-15(16)10-20/h3-4,6-7,17H,5,8-9,11-12,21H2,1-2H3/t17-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335778
PNG
(2-((6-(3-(R)-Amino-3-methylpiperidin-1-yl)-3-methy...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@](C)(N)C2)n(Cc2cc(F)ccc2C#N)c1=O
Show InChI InChI=1S/C19H22FN5O2/c1-19(22)6-3-7-24(12-19)16-9-17(26)23(2)18(27)25(16)11-14-8-15(20)5-4-13(14)10-21/h4-5,8-9H,3,6-7,11-12,22H2,1-2H3/t19-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335761
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-furan-3-yl-6-ox...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(-c2ccoc2)c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C21H21N5O2/c22-10-15-4-1-2-5-16(15)12-26-20(27)19(17-7-9-28-14-17)11-24-21(26)25-8-3-6-18(23)13-25/h1-2,4-5,7,9,11,14,18H,3,6,8,12-13,23H2/t18-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335788
PNG
(6-[3-(R)-Aminopiperidin-1-yl]-1-(2-bromobenzyl)-3-...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2Br)c1=O
Show InChI InChI=1S/C17H21BrN4O2/c1-20-16(23)9-15(21-8-4-6-13(19)11-21)22(17(20)24)10-12-5-2-3-7-14(12)18/h2-3,5,7,9,13H,4,6,8,10-11,19H2,1H3/t13-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335766
PNG
((R)-2-{[2-(3-Aminopiperidin-1-yl)-4-oxo-5,6,7,8-te...)
Show SMILES N[C@@H]1CCCN(C1)c1nc2CCCCc2c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C21H25N5O/c22-12-15-6-1-2-7-16(15)13-26-20(27)18-9-3-4-10-19(18)24-21(26)25-11-5-8-17(23)14-25/h1-2,6-7,17H,3-5,8-11,13-14,23H2/t17-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335776
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-6-oxo-6H-pyrimidi...)
Show SMILES N[C@@H]1CCCN(C1)c1nccc(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C17H19N5O/c18-10-13-4-1-2-5-14(13)11-22-16(23)7-8-20-17(22)21-9-3-6-15(19)12-21/h1-2,4-5,7-8,15H,3,6,9,11-12,19H2/t15-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335786
PNG
(6-[3-(R)-Aminopiperidin-1-yl]-1-(2-chloro-5-fluoro...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2Cl)c1=O
Show InChI InChI=1S/C17H20ClFN4O2/c1-21-16(24)8-15(22-6-2-3-13(20)10-22)23(17(21)25)9-11-7-12(19)4-5-14(11)18/h4-5,7-8,13H,2-3,6,9-10,20H2,1H3/t13-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335769
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-ethyl-6-oxo-6H-...)
Show SMILES CCc1cnc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O
Show InChI InChI=1S/C19H23N5O/c1-2-14-11-22-19(23-9-5-8-17(21)13-23)24(18(14)25)12-16-7-4-3-6-15(16)10-20/h3-4,6-7,11,17H,2,5,8-9,12-13,21H2,1H3/t17-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335755
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-(3-hydroxyprop-...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(C#CCO)c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C20H21N5O2/c21-11-15-5-1-2-6-17(15)13-25-19(27)16(7-4-10-26)12-23-20(25)24-9-3-8-18(22)14-24/h1-2,5-6,12,18,26H,3,8-10,13-14,22H2/t18-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335799
PNG
(2-{2-(3-(R)-Aminopiperidin-1-yl)-5-[2-trans-(4-flu...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(\C=C\c2ccc(F)cc2)c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C25H24FN5O/c26-22-11-8-18(9-12-22)7-10-20-15-29-25(30-13-3-6-23(28)17-30)31(24(20)32)16-21-5-2-1-4-19(21)14-27/h1-2,4-5,7-12,15,23H,3,6,13,16-17,28H2/b10-7+/t23-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335800
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-4-methyl-6-oxo-5-...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(\C=C\c2ccccc2)c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C25H25N5O/c26-15-20-9-4-5-10-22(20)17-30-24(31)21(13-12-19-7-2-1-3-8-19)16-28-25(30)29-14-6-11-23(27)18-29/h1-5,7-10,12-13,16,23H,6,11,14,17-18,27H2/b13-12+/t23-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335767
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-6-oxo-4-phenyl-6H...)
Show SMILES N[C@@H]1CCCN(C1)c1nc(cc(=O)n1Cc1ccccc1C#N)-c1ccccc1
Show InChI InChI=1S/C23H23N5O/c24-14-18-9-4-5-10-19(18)15-28-22(29)13-21(17-7-2-1-3-8-17)26-23(28)27-12-6-11-20(25)16-27/h1-5,7-10,13,20H,6,11-12,15-16,25H2/t20-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335765
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-6-oxo-5-phenyl-6H...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(-c2ccccc2)c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C23H23N5O/c24-13-18-9-4-5-10-19(18)15-28-22(29)21(17-7-2-1-3-8-17)14-26-23(28)27-12-6-11-20(25)16-27/h1-5,7-10,14,20H,6,11-12,15-16,25H2/t20-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335783
PNG
(6-[3-(R)-Aminopiperidin-1-yl]-1-(2,5-dichlorobenzy...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(Cl)ccc2Cl)c1=O
Show InChI InChI=1S/C17H20Cl2N4O2/c1-21-16(24)8-15(22-6-2-3-13(20)10-22)23(17(21)25)9-11-7-12(18)4-5-14(11)19/h4-5,7-8,13H,2-3,6,9-10,20H2,1H3/t13-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335789
PNG
(6-[3-(R)-Aminopiperidin-1-yl]-1-(2-bromobenzyl)-1H...)
Show SMILES N[C@@H]1CCCN(C1)c1cc(=O)[nH]c(=O)n1Cc1ccccc1Br
Show InChI InChI=1S/C16H19BrN4O2/c17-13-6-2-1-4-11(13)9-21-15(8-14(22)19-16(21)23)20-7-3-5-12(18)10-20/h1-2,4,6,8,12H,3,5,7,9-10,18H2,(H,19,22,23)/t12-/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335791
PNG
(2-{6-[3(R)-Aminopiperidin-1-yl]-5-chloro-3-methyl-...)
Show SMILES Cn1c(=O)c(Cl)c(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O
Show InChI InChI=1S/C18H20ClN5O2/c1-22-17(25)15(19)16(23-8-4-7-14(21)11-23)24(18(22)26)10-13-6-3-2-5-12(13)9-20/h2-3,5-6,14H,4,7-8,10-11,21H2,1H3/t14-/m1/s1
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n/an/a 57n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335790
PNG
(2-{6-[3(R)-Aminopiperidin-1-yl]-3-ethyl-2,4-dioxo-...)
Show SMILES CCn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O
Show InChI InChI=1S/C19H23N5O2/c1-2-23-18(25)10-17(22-9-5-8-16(21)13-22)24(19(23)26)12-15-7-4-3-6-14(15)11-20/h3-4,6-7,10,16H,2,5,8-9,12-13,21H2,1H3/t16-/m1/s1
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n/an/a 68n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335760
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-furan-3-yl-4-me...)
Show SMILES Cc1nc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c(=O)c1-c1ccoc1
Show InChI InChI=1S/C22H23N5O2/c1-15-20(18-8-10-29-14-18)21(28)27(12-17-6-3-2-5-16(17)11-23)22(25-15)26-9-4-7-19(24)13-26/h2-3,5-6,8,10,14,19H,4,7,9,12-13,24H2,1H3/t19-/m1/s1
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n/an/a 77n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335758
PNG
(2-((2-(3-(R)-Aminopiperidin-1-yl)-6-oxo-5-(pyrroli...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(N2CCCC2)c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C21H26N6O/c22-12-16-6-1-2-7-17(16)14-27-20(28)19(25-9-3-4-10-25)13-24-21(27)26-11-5-8-18(23)15-26/h1-2,6-7,13,18H,3-5,8-11,14-15,23H2/t18-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335763
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-(2-fluorophenyl...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(-c2ccccc2F)c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C23H22FN5O/c24-21-10-4-3-9-19(21)20-13-27-23(28-11-5-8-18(26)15-28)29(22(20)30)14-17-7-2-1-6-16(17)12-25/h1-4,6-7,9-10,13,18H,5,8,11,14-15,26H2/t18-/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335796
PNG
(2-((2-(3-(R)-Aminopiperidin-1-yl)-5-fluoro-6-oxopy...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(F)c(=O)n1Cc1ccc(F)cc1C#N
Show InChI InChI=1S/C17H17F2N5O/c18-13-4-3-11(12(6-13)7-20)9-24-16(25)15(19)8-22-17(24)23-5-1-2-14(21)10-23/h3-4,6,8,14H,1-2,5,9-10,21H2/t14-/m1/s1
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n/an/a 430n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335764
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-4-methyl-6-oxo-5-...)
Show SMILES Cc1nc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c(=O)c1-c1ccccc1
Show InChI InChI=1S/C24H25N5O/c1-17-22(18-8-3-2-4-9-18)23(30)29(15-20-11-6-5-10-19(20)14-25)24(27-17)28-13-7-12-21(26)16-28/h2-6,8-11,21H,7,12-13,15-16,26H2,1H3/t21-/m1/s1
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n/an/a 540n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335754
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-(3,3-dimethylbu...)
Show SMILES CC(C)(C)C#Cc1cnc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O
Show InChI InChI=1S/C23H27N5O/c1-23(2,3)11-10-18-14-26-22(27-12-6-9-20(25)16-27)28(21(18)29)15-19-8-5-4-7-17(19)13-24/h4-5,7-8,14,20H,6,9,12,15-16,25H2,1-3H3/t20-/m1/s1
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n/an/a 570n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335780
PNG
((+/-)-2-{6-[Azepan-3((+/-)-ylamino]-3-methyl-2,4-d...)
Show SMILES Cn1c(=O)cc(NC2CCCCNC2)n(Cc2ccccc2C#N)c1=O
Show InChI InChI=1S/C19H23N5O2/c1-23-18(25)10-17(22-16-8-4-5-9-21-12-16)24(19(23)26)13-15-7-3-2-6-14(15)11-20/h2-3,6-7,10,16,21-22H,4-5,8-9,12-13H2,1H3
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n/an/a 590n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335782
PNG
(6-[3-(R)-Aminopiperidin-1-yl]-1-(2-chloro-3,6-difl...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2c(F)ccc(F)c2Cl)c1=O
Show InChI InChI=1S/C17H19ClF2N4O2/c1-22-15(25)7-14(23-6-2-3-10(21)8-23)24(17(22)26)9-11-12(19)4-5-13(20)16(11)18/h4-5,7,10H,2-3,6,8-9,21H2,1H3/t10-/m1/s1
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n/an/a 830n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335785
PNG
(6-[3-(R)-Aminopiperidin-1-yl]-1-(2-chloro-4-fluoro...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccc(F)cc2Cl)c1=O
Show InChI InChI=1S/C17H20ClFN4O2/c1-21-16(24)8-15(22-6-2-3-13(20)10-22)23(17(21)25)9-11-4-5-12(19)7-14(11)18/h4-5,7-8,13H,2-3,6,9-10,20H2,1H3/t13-/m1/s1
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n/an/a 890n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335762
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-(2-methoxypheny...)
Show SMILES COc1ccccc1-c1cnc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O
Show InChI InChI=1S/C24H25N5O2/c1-31-22-11-5-4-10-20(22)21-14-27-24(28-12-6-9-19(26)16-28)29(23(21)30)15-18-8-3-2-7-17(18)13-25/h2-5,7-8,10-11,14,19H,6,9,12,15-16,26H2,1H3/t19-/m1/s1
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n/an/a 990n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335779
PNG
((+/-)2-{6-[3((+/-)-Aminoazepan-1-yl]-3-methyl-2,4-...)
Show SMILES Cn1c(=O)cc(N2CCCCC(N)C2)n(Cc2ccccc2C#N)c1=O
Show InChI InChI=1S/C19H23N5O2/c1-22-18(25)10-17(23-9-5-4-8-16(21)13-23)24(19(22)26)12-15-7-3-2-6-14(15)11-20/h2-3,6-7,10,16H,4-5,8-9,12-13,21H2,1H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335772
PNG
(2-((2-(3-(R)-Aminopiperidin-1-yl)-5-bromo-4-tert-b...)
Show SMILES CC(C)(C)c1nc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c(=O)c1Br
Show InChI InChI=1S/C21H26BrN5O/c1-21(2,3)18-17(22)19(28)27(12-15-8-5-4-7-14(15)11-23)20(25-18)26-10-6-9-16(24)13-26/h4-5,7-8,16H,6,9-10,12-13,24H2,1-3H3/t16-/m1/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50335781
PNG
(2-[6-(2-Aminoethylamino)-3-ethyl-2,4-dioxo-3,4-dih...)
Show SMILES CCn1c(=O)cc(NCCN)n(Cc2ccccc2C#N)c1=O
Show InChI InChI=1S/C16H19N5O2/c1-2-20-15(22)9-14(19-8-7-17)21(16(20)23)11-13-6-4-3-5-12(13)10-18/h3-6,9,19H,2,7-8,11,17H2,1H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335799
PNG
(2-{2-(3-(R)-Aminopiperidin-1-yl)-5-[2-trans-(4-flu...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(\C=C\c2ccc(F)cc2)c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C25H24FN5O/c26-22-11-8-18(9-12-22)7-10-20-15-29-25(30-13-3-6-23(28)17-30)31(24(20)32)16-21-5-2-1-4-19(21)14-27/h1-2,4-5,7-12,15,23H,3,6,13,16-17,28H2/b10-7+/t23-/m1/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335800
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-4-methyl-6-oxo-5-...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(\C=C\c2ccccc2)c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C25H25N5O/c26-15-20-9-4-5-10-22(20)17-30-24(31)21(13-12-19-7-2-1-3-8-19)16-28-25(30)29-14-6-11-23(27)18-29/h1-5,7-10,12-13,16,23H,6,11,14,17-18,27H2/b13-12+/t23-/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335798
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-6-oxo-5-((E)-2-py...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(\C=C\c2cccnc2)c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C24H24N6O/c25-13-19-6-1-2-7-21(19)16-30-23(31)20(10-9-18-5-3-11-27-14-18)15-28-24(30)29-12-4-8-22(26)17-29/h1-3,5-7,9-11,14-15,22H,4,8,12,16-17,26H2/b10-9+/t22-/m1/s1
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n/an/a 8.40E+4n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335783
PNG
(6-[3-(R)-Aminopiperidin-1-yl]-1-(2,5-dichlorobenzy...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(Cl)ccc2Cl)c1=O
Show InChI InChI=1S/C17H20Cl2N4O2/c1-21-16(24)8-15(22-6-2-3-13(20)10-22)23(17(21)25)9-11-7-12(18)4-5-14(11)19/h4-5,7-8,13H,2-3,6,9-10,20H2,1H3/t13-/m1/s1
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n/an/a 8.60E+4n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335777
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-fluoro-6-oxo-6H...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(F)c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C17H18FN5O/c18-15-9-21-17(22-7-3-6-14(20)11-22)23(16(15)24)10-13-5-2-1-4-12(13)8-19/h1-2,4-5,9,14H,3,6-7,10-11,20H2/t14-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335793
PNG
(2-((2-(3-(R)-Aminopiperidin-1-yl)-5-bromo-6-oxopyr...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(Br)c(=O)n1Cc1cc(F)ccc1C#N
Show InChI InChI=1S/C17H17BrFN5O/c18-15-8-22-17(23-5-1-2-14(21)10-23)24(16(15)25)9-12-6-13(19)4-3-11(12)7-20/h3-4,6,8,14H,1-2,5,9-10,21H2/t14-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335765
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-6-oxo-5-phenyl-6H...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(-c2ccccc2)c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C23H23N5O/c24-13-18-9-4-5-10-19(18)15-28-22(29)21(17-7-2-1-3-8-17)14-26-23(28)27-12-6-11-20(25)16-27/h1-5,7-10,14,20H,6,11-12,15-16,25H2/t20-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335784
PNG
(2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O
Show InChI InChI=1S/C18H20FN5O2/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3/t15-/m1/s1
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Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335787
PNG
(6-[3-(R)-Aminopiperidin-1-yl]-1-(2-bromo-5-fluorob...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2Br)c1=O
Show InChI InChI=1S/C17H20BrFN4O2/c1-21-16(24)8-15(22-6-2-3-13(20)10-22)23(17(21)25)9-11-7-12(19)4-5-14(11)18/h4-5,7-8,13H,2-3,6,9-10,20H2,1H3/t13-/m1/s1
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Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335789
PNG
(6-[3-(R)-Aminopiperidin-1-yl]-1-(2-bromobenzyl)-1H...)
Show SMILES N[C@@H]1CCCN(C1)c1cc(=O)[nH]c(=O)n1Cc1ccccc1Br
Show InChI InChI=1S/C16H19BrN4O2/c17-13-6-2-1-4-11(13)9-21-15(8-14(22)19-16(21)23)20-7-3-5-12(18)10-20/h1-2,4,6,8,12H,3,5,7,9-10,18H2,(H,19,22,23)/t12-/m1/s1
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Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM16285
PNG
(2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O
Show InChI InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1
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Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335773
PNG
(2[2-(3-(R)-Aminopiperidin-1-yl)-5-bromo-4-methyl-6...)
Show SMILES Cc1nc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c(=O)c1Br
Show InChI InChI=1S/C18H20BrN5O/c1-12-16(19)17(25)24(10-14-6-3-2-5-13(14)9-20)18(22-12)23-8-4-7-15(21)11-23/h2-3,5-6,15H,4,7-8,10-11,21H2,1H3/t15-/m1/s1
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Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335778
PNG
(2-((6-(3-(R)-Amino-3-methylpiperidin-1-yl)-3-methy...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@](C)(N)C2)n(Cc2cc(F)ccc2C#N)c1=O
Show InChI InChI=1S/C19H22FN5O2/c1-19(22)6-3-7-24(12-19)16-9-17(26)23(2)18(27)25(16)11-14-8-15(20)5-4-13(14)10-21/h4-5,8-9H,3,6-7,11-12,22H2,1-2H3/t19-/m1/s1
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Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335795
PNG
(2-((2-(3-(R)-Aminopiperidin-1-yl)-5-fluoro-6-oxopy...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(F)c(=O)n1Cc1cc(F)ccc1C#N
Show InChI InChI=1S/C17H17F2N5O/c18-13-4-3-11(7-20)12(6-13)9-24-16(25)15(19)8-22-17(24)23-5-1-2-14(21)10-23/h3-4,6,8,14H,1-2,5,9-10,21H2/t14-/m1/s1
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Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335755
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-(3-hydroxyprop-...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(C#CCO)c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C20H21N5O2/c21-11-15-5-1-2-6-17(15)13-25-19(27)16(7-4-10-26)12-23-20(25)24-9-3-8-18(22)14-24/h1-2,5-6,12,18,26H,3,8-10,13-14,22H2/t18-/m1/s1
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Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335756
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-prop-1-ynyl-6-o...)
Show SMILES CC#Cc1cnc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O
Show InChI InChI=1S/C20H21N5O/c1-2-6-16-12-23-20(24-10-5-9-18(22)14-24)25(19(16)26)13-17-8-4-3-7-15(17)11-21/h3-4,7-8,12,18H,5,9-10,13-14,22H2,1H3/t18-/m1/s1
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Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335759
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-6-oxo-5-(1H-pyrro...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(-c2cc[nH]c2)c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C21H22N6O/c22-10-15-4-1-2-5-17(15)13-27-20(28)19(16-7-8-24-11-16)12-25-21(27)26-9-3-6-18(23)14-26/h1-2,4-5,7-8,11-12,18,24H,3,6,9,13-14,23H2/t18-/m1/s1
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Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335763
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-(2-fluorophenyl...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(-c2ccccc2F)c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C23H22FN5O/c24-21-10-4-3-9-19(21)20-13-27-23(28-11-5-8-18(26)15-28)29(22(20)30)14-17-7-2-1-6-16(17)12-25/h1-4,6-7,9-10,13,18H,5,8,11,14-15,26H2/t18-/m1/s1
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Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335770
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-4,5-dimethyl-6-ox...)
Show SMILES Cc1nc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c(=O)c1C
Show InChI InChI=1S/C19H23N5O/c1-13-14(2)22-19(23-9-5-8-17(21)12-23)24(18(13)25)11-16-7-4-3-6-15(16)10-20/h3-4,6-7,17H,5,8-9,11-12,21H2,1-2H3/t17-/m1/s1
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Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335771
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-iodo-6-oxo-6H-p...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(I)c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C17H18IN5O/c18-15-9-21-17(22-7-3-6-14(20)11-22)23(16(15)24)10-13-5-2-1-4-12(13)8-19/h1-2,4-5,9,14H,3,6-7,10-11,20H2/t14-/m1/s1
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Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335794
PNG
(2-((2-(3-(R)-Aminopiperidin-1-yl)-5-chloro-6-oxopy...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(Cl)c(=O)n1Cc1cc(F)ccc1C#N
Show InChI InChI=1S/C17H17ClFN5O/c18-15-8-22-17(23-5-1-2-14(21)10-23)24(16(15)25)9-12-6-13(19)4-3-11(12)7-20/h3-4,6,8,14H,1-2,5,9-10,21H2/t14-/m1/s1
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Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335761
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-furan-3-yl-6-ox...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(-c2ccoc2)c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C21H21N5O2/c22-10-15-4-1-2-5-16(15)12-26-20(27)19(17-7-9-28-14-17)11-24-21(26)25-8-3-6-18(23)13-25/h1-2,4-5,7,9,11,14,18H,3,6,8,12-13,23H2/t18-/m1/s1
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Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335767
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-6-oxo-4-phenyl-6H...)
Show SMILES N[C@@H]1CCCN(C1)c1nc(cc(=O)n1Cc1ccccc1C#N)-c1ccccc1
Show InChI InChI=1S/C23H23N5O/c24-14-18-9-4-5-10-19(18)15-28-22(29)13-21(17-7-2-1-3-8-17)26-23(28)27-12-6-11-20(25)16-27/h1-5,7-10,13,20H,6,11-12,15-16,25H2/t20-/m1/s1
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Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335788
PNG
(6-[3-(R)-Aminopiperidin-1-yl]-1-(2-bromobenzyl)-3-...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2Br)c1=O
Show InChI InChI=1S/C17H21BrN4O2/c1-20-16(23)9-15(21-8-4-6-13(19)11-21)22(17(20)24)10-12-5-2-3-7-14(12)18/h2-3,5,7,9,13H,4,6,8,10-11,19H2,1H3/t13-/m1/s1
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Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335792
PNG
(2-{6-[3(R)-Aminopiperidin-1-yl]-2,4-dioxo-3,4-dihy...)
Show SMILES N[C@@H]1CCCN(C1)c1cc(=O)[nH]c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C17H19N5O2/c18-9-12-4-1-2-5-13(12)10-22-16(8-15(23)20-17(22)24)21-7-3-6-14(19)11-21/h1-2,4-5,8,14H,3,6-7,10-11,19H2,(H,20,23,24)/t14-/m1/s1
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Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335797
PNG
(2-[2-(3-(R)-Aminopyrimidin-1-yl)-5-bromo-6-oxo-6H-...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(Br)c(=O)n1Cc1sccc1C#N
Show InChI InChI=1S/C15H16BrN5OS/c16-12-7-19-15(20-4-1-2-11(18)8-20)21(14(12)22)9-13-10(6-17)3-5-23-13/h3,5,7,11H,1-2,4,8-9,18H2/t11-/m1/s1
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Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335775
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-chloro-6-oxo-6H...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(Cl)c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C17H18ClN5O/c18-15-9-21-17(22-7-3-6-14(20)11-22)23(16(15)24)10-13-5-2-1-4-12(13)8-19/h1-2,4-5,9,14H,3,6-7,10-11,20H2/t14-/m1/s1
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Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335774
PNG
(2-((2-(3-(R)-Aminopiperidin-1-yl)-5-bromo-6-oxopyr...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(Br)c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C17H18BrN5O/c18-15-9-21-17(22-7-3-6-14(20)11-22)23(16(15)24)10-13-5-2-1-4-12(13)8-19/h1-2,4-5,9,14H,3,6-7,10-11,20H2/t14-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335760
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-furan-3-yl-4-me...)
Show SMILES Cc1nc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c(=O)c1-c1ccoc1
Show InChI InChI=1S/C22H23N5O2/c1-15-20(18-8-10-29-14-18)21(28)27(12-17-6-3-2-5-16(17)11-23)22(25-15)26-9-4-7-19(24)13-26/h2-3,5-6,8,10,14,19H,4,7,9,12-13,24H2,1H3/t19-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335757
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-ethynyl-6-oxo-6...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(C#C)c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C19H19N5O/c1-2-14-11-22-19(23-9-5-8-17(21)13-23)24(18(14)25)12-16-7-4-3-6-15(16)10-20/h1,3-4,6-7,11,17H,5,8-9,12-13,21H2/t17-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335786
PNG
(6-[3-(R)-Aminopiperidin-1-yl]-1-(2-chloro-5-fluoro...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2Cl)c1=O
Show InChI InChI=1S/C17H20ClFN4O2/c1-21-16(24)8-15(22-6-2-3-13(20)10-22)23(17(21)25)9-11-7-12(19)4-5-14(11)18/h4-5,7-8,13H,2-3,6,9-10,20H2,1H3/t13-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335776
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-6-oxo-6H-pyrimidi...)
Show SMILES N[C@@H]1CCCN(C1)c1nccc(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C17H19N5O/c18-10-13-4-1-2-5-14(13)11-22-16(23)7-8-20-17(22)21-9-3-6-15(19)12-21/h1-2,4-5,7-8,15H,3,6,9,11-12,19H2/t15-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335753
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-6-oxo-5-vinyl-6H-...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(C=C)c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C19H21N5O/c1-2-14-11-22-19(23-9-5-8-17(21)13-23)24(18(14)25)12-16-7-4-3-6-15(16)10-20/h2-4,6-7,11,17H,1,5,8-9,12-13,21H2/t17-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50335768
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-methoxy-6-oxo-6...)
Show SMILES COc1cnc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O
Show InChI InChI=1S/C18H21N5O2/c1-25-16-10-21-18(22-8-4-7-15(20)12-22)23(17(16)24)11-14-6-3-2-5-13(14)9-19/h2-3,5-6,10,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%