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PubMed code 17441705

Compile data set for download or QSAR
Found 28 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))
BDBM16281
PNG
(2-({2-[(3R)-3-aminopiperidin-1-yl]-7-fluoro-6-meth...)
Show SMILES COc1cc2c(cc1F)nc(N1CCC[C@@H](N)C1)n(Cc1ccccc1C#N)c2=O
Show InChI InChI=1S/C22H22FN5O2/c1-30-20-9-17-19(10-18(20)23)26-22(27-8-4-7-16(25)13-27)28(21(17)29)12-15-6-3-2-5-14(15)11-24/h2-3,5-6,9-10,16H,4,7-8,12-13,25H2,1H3/t16-/m1/s1
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PubMed
n/an/a 4n/an/an/an/a7.422



Takeda Pharmaceutical Company Ltd.



Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....


J Med Chem 50: 2297-300 (2007)


Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM16274
PNG
(2-({2-[(3R)-3-aminopiperidin-1-yl]-6-fluoro-4-oxo-...)
Show SMILES N[C@@H]1CCCN(C1)c1nc2ccc(F)cc2c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C21H20FN5O/c22-16-7-8-19-18(10-16)20(28)27(12-15-5-2-1-4-14(15)11-23)21(25-19)26-9-3-6-17(24)13-26/h1-2,4-5,7-8,10,17H,3,6,9,12-13,24H2/t17-/m1/s1
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PubMed
n/an/a 4n/an/an/an/a7.422



Takeda Pharmaceutical Company Ltd.



Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....


J Med Chem 50: 2297-300 (2007)


Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM16279
PNG
(2-({2-[(3R)-3-aminopiperidin-1-yl]-6-bromo-4-oxo-3...)
Show SMILES N[C@@H]1CCCN(C1)c1nc2ccc(Br)cc2c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C21H20BrN5O/c22-16-7-8-19-18(10-16)20(28)27(12-15-5-2-1-4-14(15)11-23)21(25-19)26-9-3-6-17(24)13-26/h1-2,4-5,7-8,10,17H,3,6,9,12-13,24H2/t17-/m1/s1
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PubMed
n/an/a 5n/an/an/an/a7.422



Takeda Pharmaceutical Company Ltd.



Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....


J Med Chem 50: 2297-300 (2007)


Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM16273
PNG
(2-({2-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-4-oxo-...)
Show SMILES N[C@@H]1CCCN(C1)c1nc2cccc(F)c2c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C21H20FN5O/c22-17-8-3-9-18-19(17)20(28)27(12-15-6-2-1-5-14(15)11-23)21(25-18)26-10-4-7-16(24)13-26/h1-3,5-6,8-9,16H,4,7,10,12-13,24H2/t16-/m1/s1
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PubMed
n/an/a 5n/an/an/an/a7.422



Takeda Pharmaceutical Company Ltd.



Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....


J Med Chem 50: 2297-300 (2007)


Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM16275
PNG
(2-({2-[(3R)-3-aminopiperidin-1-yl]-6-chloro-4-oxo-...)
Show SMILES N[C@@H]1CCCN(C1)c1nc2ccc(Cl)cc2c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C21H20ClN5O/c22-16-7-8-19-18(10-16)20(28)27(12-15-5-2-1-4-14(15)11-23)21(25-19)26-9-3-6-17(24)13-26/h1-2,4-5,7-8,10,17H,3,6,9,12-13,24H2/t17-/m1/s1
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n/an/a 5n/an/an/an/a7.422



Takeda Pharmaceutical Company Ltd.



Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....


J Med Chem 50: 2297-300 (2007)


Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM16280
PNG
(2-({2-[(3R)-3-aminopiperidin-1-yl]-6-methoxy-4-oxo...)
Show SMILES COc1ccc2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c(=O)c2c1
Show InChI InChI=1S/C22H23N5O2/c1-29-18-8-9-20-19(11-18)21(28)27(13-16-6-3-2-5-15(16)12-23)22(25-20)26-10-4-7-17(24)14-26/h2-3,5-6,8-9,11,17H,4,7,10,13-14,24H2,1H3/t17-/m1/s1
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PubMed
n/an/a 8n/an/an/an/a7.422



Takeda Pharmaceutical Company Ltd.



Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....


J Med Chem 50: 2297-300 (2007)


Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(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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Article
PubMed
n/an/a<10n/an/an/an/a7.422



Takeda Pharmaceutical Company Ltd.



Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....


J Med Chem 50: 2297-300 (2007)


Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM16272
PNG
(2-({2-[(3R)-3-aminopiperidin-1-yl]-4-oxo-3,4-dihyd...)
Show SMILES N[C@@H]1CCCN(C1)c1nc2ccccc2c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C21H21N5O/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/h1-4,6-7,9-10,17H,5,8,11,13-14,23H2/t17-/m1/s1
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PubMed
n/an/a 13n/an/an/an/a7.422



Takeda Pharmaceutical Company Ltd.



Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....


J Med Chem 50: 2297-300 (2007)


Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM16278
PNG
(2-({2-[(3R)-3-aminopiperidin-1-yl]-6,8-dichloro-4-...)
Show SMILES N[C@@H]1CCCN(C1)c1nc2c(Cl)cc(Cl)cc2c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C21H19Cl2N5O/c22-15-8-17-19(18(23)9-15)26-21(27-7-3-6-16(25)12-27)28(20(17)29)11-14-5-2-1-4-13(14)10-24/h1-2,4-5,8-9,16H,3,6-7,11-12,25H2/t16-/m1/s1
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n/an/a 13n/an/an/an/a7.422



Takeda Pharmaceutical Company Ltd.



Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....


J Med Chem 50: 2297-300 (2007)


Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM16276
PNG
(2-({2-[(3R)-3-aminopiperidin-1-yl]-7-chloro-4-oxo-...)
Show SMILES N[C@@H]1CCCN(C1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C21H20ClN5O/c22-16-7-8-18-19(10-16)25-21(26-9-3-6-17(24)13-26)27(20(18)28)12-15-5-2-1-4-14(15)11-23/h1-2,4-5,7-8,10,17H,3,6,9,12-13,24H2/t17-/m1/s1
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n/an/a 15n/an/an/an/a7.422



Takeda Pharmaceutical Company Ltd.



Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....


J Med Chem 50: 2297-300 (2007)


Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM16284
PNG
(2-({2-[(3R)-3-aminopiperidin-1-yl]-6-fluoro-7-(mor...)
Show SMILES N[C@@H]1CCCN(C1)c1nc2cc(N3CCOCC3)c(F)cc2c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C25H27FN6O2/c26-21-12-20-22(13-23(21)30-8-10-34-11-9-30)29-25(31-7-3-6-19(28)16-31)32(24(20)33)15-18-5-2-1-4-17(18)14-27/h1-2,4-5,12-13,19H,3,6-11,15-16,28H2/t19-/m1/s1
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n/an/a 18n/an/an/an/a7.422



Takeda Pharmaceutical Company Ltd.



Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....


J Med Chem 50: 2297-300 (2007)


Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM16282
PNG
(2-({2-[(3R)-3-aminopiperidin-1-yl]-6,7-dimethoxy-4...)
Show SMILES COc1cc2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c(=O)c2cc1OC
Show InChI InChI=1S/C23H25N5O3/c1-30-20-10-18-19(11-21(20)31-2)26-23(27-9-5-8-17(25)14-27)28(22(18)29)13-16-7-4-3-6-15(16)12-24/h3-4,6-7,10-11,17H,5,8-9,13-14,25H2,1-2H3/t17-/m1/s1
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n/an/a 19n/an/an/an/a7.422



Takeda Pharmaceutical Company Ltd.



Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....


J Med Chem 50: 2297-300 (2007)


Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM16277
PNG
(2-({2-[(3R)-3-aminopiperidin-1-yl]-8-chloro-4-oxo-...)
Show SMILES N[C@@H]1CCCN(C1)c1nc2c(Cl)cccc2c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C21H20ClN5O/c22-18-9-3-8-17-19(18)25-21(26-10-4-7-16(24)13-26)27(20(17)28)12-15-6-2-1-5-14(15)11-23/h1-3,5-6,8-9,16H,4,7,10,12-13,24H2/t16-/m1/s1
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n/an/a 29n/an/an/an/a7.422



Takeda Pharmaceutical Company Ltd.



Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....


J Med Chem 50: 2297-300 (2007)


Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM16283
PNG
(2-({2-[(3R)-3-aminopiperidin-1-yl]-8-methoxy-4-oxo...)
Show SMILES COc1cccc2c1nc(N1CCC[C@@H](N)C1)n(Cc1ccccc1C#N)c2=O
Show InChI InChI=1S/C22H23N5O2/c1-29-19-10-4-9-18-20(19)25-22(26-11-5-8-17(24)14-26)27(21(18)28)13-16-7-3-2-6-15(16)12-23/h2-4,6-7,9-10,17H,5,8,11,13-14,24H2,1H3/t17-/m1/s1
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n/an/a 30n/an/an/an/a7.422



Takeda Pharmaceutical Company Ltd.



Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....


J Med Chem 50: 2297-300 (2007)


Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM16280
PNG
(2-({2-[(3R)-3-aminopiperidin-1-yl]-6-methoxy-4-oxo...)
Show SMILES COc1ccc2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c(=O)c2c1
Show InChI InChI=1S/C22H23N5O2/c1-29-18-8-9-20-19(11-18)21(28)27(13-16-6-3-2-5-15(16)12-23)22(25-20)26-10-4-7-17(24)14-26/h2-3,5-6,8-9,11,17H,4,7,10,13-14,24H2,1H3/t17-/m1/s1
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n/an/a>5.00E+4n/an/an/an/a7.422



Takeda Pharmaceutical Company Ltd.



Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....


J Med Chem 50: 2297-300 (2007)


Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM16275
PNG
(2-({2-[(3R)-3-aminopiperidin-1-yl]-6-chloro-4-oxo-...)
Show SMILES N[C@@H]1CCCN(C1)c1nc2ccc(Cl)cc2c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C21H20ClN5O/c22-16-7-8-19-18(10-16)20(28)27(12-15-5-2-1-4-14(15)11-23)21(25-19)26-9-3-6-17(24)13-26/h1-2,4-5,7-8,10,17H,3,6,9,12-13,24H2/t17-/m1/s1
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n/an/a>5.00E+4n/an/an/an/a7.422



Takeda Pharmaceutical Company Ltd.



Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....


J Med Chem 50: 2297-300 (2007)


Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM16284
PNG
(2-({2-[(3R)-3-aminopiperidin-1-yl]-6-fluoro-7-(mor...)
Show SMILES N[C@@H]1CCCN(C1)c1nc2cc(N3CCOCC3)c(F)cc2c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C25H27FN6O2/c26-21-12-20-22(13-23(21)30-8-10-34-11-9-30)29-25(31-7-3-6-19(28)16-31)32(24(20)33)15-18-5-2-1-4-17(18)14-27/h1-2,4-5,12-13,19H,3,6-11,15-16,28H2/t19-/m1/s1
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n/an/a>5.00E+4n/an/an/an/a7.422



Takeda Pharmaceutical Company Ltd.



Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....


J Med Chem 50: 2297-300 (2007)


Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM16278
PNG
(2-({2-[(3R)-3-aminopiperidin-1-yl]-6,8-dichloro-4-...)
Show SMILES N[C@@H]1CCCN(C1)c1nc2c(Cl)cc(Cl)cc2c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C21H19Cl2N5O/c22-15-8-17-19(18(23)9-15)26-21(27-7-3-6-16(25)12-27)28(20(17)29)11-14-5-2-1-4-13(14)10-24/h1-2,4-5,8-9,16H,3,6-7,11-12,25H2/t16-/m1/s1
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n/an/a>1.00E+5n/an/an/an/a7.422



Takeda Pharmaceutical Company Ltd.



Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....


J Med Chem 50: 2297-300 (2007)


Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM16272
PNG
(2-({2-[(3R)-3-aminopiperidin-1-yl]-4-oxo-3,4-dihyd...)
Show SMILES N[C@@H]1CCCN(C1)c1nc2ccccc2c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C21H21N5O/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/h1-4,6-7,9-10,17H,5,8,11,13-14,23H2/t17-/m1/s1
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n/an/a>1.00E+5n/an/an/an/a7.422



Takeda Pharmaceutical Company Ltd.



Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....


J Med Chem 50: 2297-300 (2007)


Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM16282
PNG
(2-({2-[(3R)-3-aminopiperidin-1-yl]-6,7-dimethoxy-4...)
Show SMILES COc1cc2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c(=O)c2cc1OC
Show InChI InChI=1S/C23H25N5O3/c1-30-20-10-18-19(11-21(20)31-2)26-23(27-9-5-8-17(25)14-27)28(22(18)29)13-16-7-4-3-6-15(16)12-24/h3-4,6-7,10-11,17H,5,8-9,13-14,25H2,1-2H3/t17-/m1/s1
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n/an/a>1.00E+5n/an/an/an/a7.422



Takeda Pharmaceutical Company Ltd.



Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....


J Med Chem 50: 2297-300 (2007)


Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM16277
PNG
(2-({2-[(3R)-3-aminopiperidin-1-yl]-8-chloro-4-oxo-...)
Show SMILES N[C@@H]1CCCN(C1)c1nc2c(Cl)cccc2c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C21H20ClN5O/c22-18-9-3-8-17-19(18)25-21(26-10-4-7-16(24)13-26)27(20(17)28)12-15-6-2-1-5-14(15)11-23/h1-3,5-6,8-9,16H,4,7,10,12-13,24H2/t16-/m1/s1
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n/an/a>1.00E+5n/an/an/an/a7.422



Takeda Pharmaceutical Company Ltd.



Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....


J Med Chem 50: 2297-300 (2007)


Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5
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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n/an/a>1.00E+5n/an/an/an/a7.422



Takeda Pharmaceutical Company Ltd.



Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....


J Med Chem 50: 2297-300 (2007)


Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM16279
PNG
(2-({2-[(3R)-3-aminopiperidin-1-yl]-6-bromo-4-oxo-3...)
Show SMILES N[C@@H]1CCCN(C1)c1nc2ccc(Br)cc2c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C21H20BrN5O/c22-16-7-8-19-18(10-16)20(28)27(12-15-5-2-1-4-14(15)11-23)21(25-19)26-9-3-6-17(24)13-26/h1-2,4-5,7-8,10,17H,3,6,9,12-13,24H2/t17-/m1/s1
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Takeda Pharmaceutical Company Ltd.



Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....


J Med Chem 50: 2297-300 (2007)


Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM16274
PNG
(2-({2-[(3R)-3-aminopiperidin-1-yl]-6-fluoro-4-oxo-...)
Show SMILES N[C@@H]1CCCN(C1)c1nc2ccc(F)cc2c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C21H20FN5O/c22-16-7-8-19-18(10-16)20(28)27(12-15-5-2-1-4-14(15)11-23)21(25-19)26-9-3-6-17(24)13-26/h1-2,4-5,7-8,10,17H,3,6,9,12-13,24H2/t17-/m1/s1
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n/an/a>1.00E+5n/an/an/an/a7.422



Takeda Pharmaceutical Company Ltd.



Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....


J Med Chem 50: 2297-300 (2007)


Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM16273
PNG
(2-({2-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-4-oxo-...)
Show SMILES N[C@@H]1CCCN(C1)c1nc2cccc(F)c2c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C21H20FN5O/c22-17-8-3-9-18-19(17)20(28)27(12-15-6-2-1-5-14(15)11-23)21(25-18)26-10-4-7-16(24)13-26/h1-3,5-6,8-9,16H,4,7,10,12-13,24H2/t16-/m1/s1
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Takeda Pharmaceutical Company Ltd.



Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....


J Med Chem 50: 2297-300 (2007)


Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM16281
PNG
(2-({2-[(3R)-3-aminopiperidin-1-yl]-7-fluoro-6-meth...)
Show SMILES COc1cc2c(cc1F)nc(N1CCC[C@@H](N)C1)n(Cc1ccccc1C#N)c2=O
Show InChI InChI=1S/C22H22FN5O2/c1-30-20-9-17-19(10-18(20)23)26-22(27-8-4-7-16(25)13-27)28(21(17)29)12-15-6-3-2-5-14(15)11-24/h2-3,5-6,9-10,16H,4,7-8,12-13,25H2,1H3/t16-/m1/s1
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Takeda Pharmaceutical Company Ltd.



Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....


J Med Chem 50: 2297-300 (2007)


Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM16283
PNG
(2-({2-[(3R)-3-aminopiperidin-1-yl]-8-methoxy-4-oxo...)
Show SMILES COc1cccc2c1nc(N1CCC[C@@H](N)C1)n(Cc1ccccc1C#N)c2=O
Show InChI InChI=1S/C22H23N5O2/c1-29-19-10-4-9-18-20(19)25-22(26-11-5-8-17(24)14-26)27(21(18)28)13-16-7-3-2-6-15(16)12-23/h2-4,6-7,9-10,17H,5,8,11,13-14,24H2,1H3/t17-/m1/s1
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Takeda Pharmaceutical Company Ltd.



Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....


J Med Chem 50: 2297-300 (2007)


Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM16276
PNG
(2-({2-[(3R)-3-aminopiperidin-1-yl]-7-chloro-4-oxo-...)
Show SMILES N[C@@H]1CCCN(C1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1C#N
Show InChI InChI=1S/C21H20ClN5O/c22-16-7-8-18-19(10-16)25-21(26-9-3-6-17(24)13-26)27(20(18)28)12-15-5-2-1-4-14(15)11-23/h1-2,4-5,7-8,10,17H,3,6,9,12-13,24H2/t17-/m1/s1
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n/an/a>1.00E+5n/an/an/an/a7.422



Takeda Pharmaceutical Company Ltd.



Assay Description
Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....


J Med Chem 50: 2297-300 (2007)


Article DOI: 10.1021/jm070104l
BindingDB Entry DOI: 10.7270/Q2TM78C5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%