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Compile Data Set for Download or QSAR

Found 144 hits Enz. Inhib. hit(s) with all data for entry = 1483   
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))
BDBM11665
PNG
(N-(4-{5-[(2S,3S)-3-amino-4-oxo-4-(pyrrolidin-1-yl)...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(NS(C)(=O)=O)cc1Cl |r|
Show InChI InChI=1S/C17H22ClN5O4S/c1-10(14(19)17(24)23-7-3-4-8-23)16-20-15(21-27-16)12-6-5-11(9-13(12)18)22-28(2,25)26/h5-6,9-10,14,22H,3-4,7-8,19H2,1-2H3/t10-,14-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11676
PNG
((2S,3S)-3-[3-(2-chloro-4-methanesulfonylphenyl)-1,...)
Show SMILES CS(=O)(=O)c1ccc(-c2noc(n2)[C@@H](CC2CC2)[C@H]([NH3+])C(=O)N2CC[C@H](F)C2)c(Cl)c1 |r|
Show InChI InChI=1S/C20H24ClFN4O4S/c1-31(28,29)13-4-5-14(16(21)9-13)18-24-19(30-25-18)15(8-11-2-3-11)17(23)20(27)26-7-6-12(22)10-26/h4-5,9,11-12,15,17H,2-3,6-8,10,23H2,1H3/p+1/t12-,15-,17-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11677
PNG
((2S,3S)-3-[3-(2-chloro-4-methanesulfonylphenyl)-1,...)
Show SMILES CC(C)C[C@@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1nc(no1)-c1ccc(cc1Cl)S(C)(=O)=O |r|
Show InChI InChI=1S/C20H26ClFN4O4S/c1-11(2)8-15(17(23)20(27)26-7-6-12(22)10-26)19-24-18(25-30-19)14-5-4-13(9-16(14)21)31(3,28)29/h4-5,9,11-12,15,17H,6-8,10,23H2,1-3H3/p+1/t12-,15-,17-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11666
PNG
((2S,3S)-2-amino-3-[3-(2-chloro-4-methanesulfonylph...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1Cl)S(C)(=O)=O |r|
Show InChI InChI=1S/C17H21ClN4O4S/c1-10(14(19)17(23)22-7-3-4-8-22)16-20-15(21-26-16)12-6-5-11(9-13(12)18)27(2,24)25/h5-6,9-10,14H,3-4,7-8,19H2,1-2H3/t10-,14-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11681
PNG
((2S,3S)-4-cyclopropyl-3-[3-(2-fluoro-4-methanesulf...)
Show SMILES CS(=O)(=O)c1ccc(-c2noc(n2)[C@@H](CC2CC2)[C@H]([NH3+])C(=O)N2CC[C@H](F)C2)c(F)c1 |r|
Show InChI InChI=1S/C20H24F2N4O4S/c1-31(28,29)13-4-5-14(16(22)9-13)18-24-19(30-25-18)15(8-11-2-3-11)17(23)20(27)26-7-6-12(21)10-26/h4-5,9,11-12,15,17H,2-3,6-8,10,23H2,1H3/p+1/t12-,15-,17-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11674
PNG
((2S,3S)-3-[3-(2-chloro-4-methanesulfonamidophenyl)...)
Show SMILES C[C@@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1nc(no1)-c1ccc(NS(C)(=O)=O)cc1Cl |r|
Show InChI InChI=1S/C17H20ClF2N5O4S/c1-9(13(21)16(26)25-6-5-17(19,20)8-25)15-22-14(23-29-15)11-4-3-10(7-12(11)18)24-30(2,27)28/h3-4,7,9,13,24H,5-6,8,21H2,1-2H3/p+1/t9-,13-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11672
PNG
((2S,3S)-3-[3-(2-chloro-4-methanesulfonamidophenyl)...)
Show SMILES C[C@@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1nc(no1)-c1ccc(NS(C)(=O)=O)cc1Cl |r|
Show InChI InChI=1S/C17H21ClFN5O4S/c1-9(14(20)17(25)24-6-5-10(19)8-24)16-21-15(22-28-16)12-4-3-11(7-13(12)18)23-29(2,26)27/h3-4,7,9-10,14,23H,5-6,8,20H2,1-2H3/p+1/t9-,10-,14-/m0/s1
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Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11673
PNG
((2S,3S)-3-[3-(2-chloro-4-methanesulfonamidophenyl)...)
Show SMILES C[C@@H]([C@H]([NH3+])C(=O)N1CC[C@@H](F)C1)c1nc(no1)-c1ccc(NS(C)(=O)=O)cc1Cl |r|
Show InChI InChI=1S/C17H21ClFN5O4S/c1-9(14(20)17(25)24-6-5-10(19)8-24)16-21-15(22-28-16)12-4-3-11(7-13(12)18)23-29(2,26)27/h3-4,7,9-10,14,23H,5-6,8,20H2,1-2H3/p+1/t9-,10+,14-/m0/s1
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Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11680
PNG
((2S,3S)-4-cyclopropyl-1-[(3S)-3-fluoropyrrolidin-1...)
Show SMILES Cc1cc(ccc1-c1noc(n1)[C@@H](CC1CC1)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1)S(C)(=O)=O |r|
Show InChI InChI=1S/C21H27FN4O4S/c1-12-9-15(31(2,28)29)5-6-16(12)19-24-20(30-25-19)17(10-13-3-4-13)18(23)21(27)26-8-7-14(22)11-26/h5-6,9,13-14,17-18H,3-4,7-8,10-11,23H2,1-2H3/p+1/t14-,17-,18-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11675
PNG
((2S,3S)-3-[3-(2-chloro-4-methanesulfonylphenyl)-1,...)
Show SMILES C[C@@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1nc(no1)-c1ccc(cc1Cl)S(C)(=O)=O |r|
Show InChI InChI=1S/C17H20ClFN4O4S/c1-9(14(20)17(24)23-6-5-10(19)8-23)16-21-15(22-27-16)12-4-3-11(7-13(12)18)28(2,25)26/h3-4,7,9-10,14H,5-6,8,20H2,1-2H3/p+1/t9-,10-,14-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11667
PNG
((2S,3S)-2-amino-3-[3-(2-fluoro-4-methanesulfonylph...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1F)S(C)(=O)=O |r|
Show InChI InChI=1S/C17H21FN4O4S/c1-10(14(19)17(23)22-7-3-4-8-22)16-20-15(21-26-16)12-6-5-11(9-13(12)18)27(2,24)25/h5-6,9-10,14H,3-4,7-8,19H2,1-2H3/t10-,14-/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11679
PNG
((2S,3S)-4-cyclopropyl-1-[(3S)-3-fluoropyrrolidin-1...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1noc(n1)[C@@H](CC1CC1)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|
Show InChI InChI=1S/C20H25FN4O4S/c1-30(27,28)15-6-4-13(5-7-15)18-23-19(29-24-18)16(10-12-2-3-12)17(22)20(26)25-9-8-14(21)11-25/h4-7,12,14,16-17H,2-3,8-11,22H2,1H3/p+1/t14-,16-,17-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11678
PNG
((2S,3S)-3-[3-(2-chloro-4-methanesulfonylphenyl)-1,...)
Show SMILES CS(=O)(=O)c1ccc(-c2noc(n2)[C@@H](CCO)[C@H]([NH3+])C(=O)N2CC[C@H](F)C2)c(Cl)c1 |r|
Show InChI InChI=1S/C18H22ClFN4O5S/c1-30(27,28)11-2-3-12(14(19)8-11)16-22-17(29-23-16)13(5-7-25)15(21)18(26)24-6-4-10(20)9-24/h2-3,8,10,13,15,25H,4-7,9,21H2,1H3/p+1/t10-,13-,15-/m0/s1
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Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11658
PNG
((2S,3S)-2-amino-3-[3-(4-methanesulfonylphenyl)-1,2...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1)S(C)(=O)=O |r|
Show InChI InChI=1S/C17H22N4O4S/c1-11(14(18)17(22)21-9-3-4-10-21)16-19-15(20-25-16)12-5-7-13(8-6-12)26(2,23)24/h5-8,11,14H,3-4,9-10,18H2,1-2H3/t11-,14-/m0/s1
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n/an/a 122n/an/an/an/a7.537



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM11674
PNG
((2S,3S)-3-[3-(2-chloro-4-methanesulfonamidophenyl)...)
Show SMILES C[C@@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1nc(no1)-c1ccc(NS(C)(=O)=O)cc1Cl |r|
Show InChI InChI=1S/C17H20ClF2N5O4S/c1-9(13(21)16(26)25-6-5-17(19,20)8-25)15-22-14(23-29-15)11-4-3-10(7-12(11)18)24-30(2,27)28/h3-4,7,9,13,24H,5-6,8,21H2,1-2H3/p+1/t9-,13-/m0/s1
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Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11663
PNG
((2S,3S)-2-amino-3-[3-(4-bromo-2-chlorophenyl)-1,2,...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(Br)cc1Cl |r|
Show InChI InChI=1S/C16H18BrClN4O2/c1-9(13(19)16(23)22-6-2-3-7-22)15-20-14(21-24-15)11-5-4-10(17)8-12(11)18/h4-5,8-9,13H,2-3,6-7,19H2,1H3/t9-,13-/m0/s1
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n/an/a 160n/an/an/an/a7.537



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11657
PNG
(4-{5-[(2S,3S)-3-amino-4-oxo-4-(pyrrolidin-1-yl)but...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1)S(N)(=O)=O |r|
Show InChI InChI=1S/C16H21N5O4S/c1-10(13(17)16(22)21-8-2-3-9-21)15-19-14(20-25-15)11-4-6-12(7-5-11)26(18,23)24/h4-7,10,13H,2-3,8-9,17H2,1H3,(H2,18,23,24)/t10-,13-/m0/s1
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n/an/a 190n/an/an/an/a7.537



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11662
PNG
((2S,3S)-2-amino-3-[3-(2,4-dichlorophenyl)-1,2,4-ox...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C16H18Cl2N4O2/c1-9(13(19)16(23)22-6-2-3-7-22)15-20-14(21-24-15)11-5-4-10(17)8-12(11)18/h4-5,8-9,13H,2-3,6-7,19H2,1H3/t9-,13-/m0/s1
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n/an/a 200n/an/an/an/a7.537



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11656
PNG
((2S,3S)-2-amino-1-(pyrrolidin-1-yl)-3-{3-[4-(trifl...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1)S(=O)(=O)C(F)(F)F |r|
Show InChI InChI=1S/C17H19F3N4O4S/c1-10(13(21)16(25)24-8-2-3-9-24)15-22-14(23-28-15)11-4-6-12(7-5-11)29(26,27)17(18,19)20/h4-7,10,13H,2-3,8-9,21H2,1H3/t10-,13-/m0/s1
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n/an/a 330n/an/an/an/a7.537



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11659
PNG
(N-(4-{5-[(2S,3S)-3-amino-4-oxo-4-(pyrrolidin-1-yl)...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(NS(C)(=O)=O)cc1 |r|
Show InChI InChI=1S/C17H23N5O4S/c1-11(14(18)17(23)22-9-3-4-10-22)16-19-15(20-26-16)12-5-7-13(8-6-12)21-27(2,24)25/h5-8,11,14,21H,3-4,9-10,18H2,1-2H3/t11-,14-/m0/s1
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n/an/a 520n/an/an/an/a7.537



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11668
PNG
((2S,3S)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-...)
Show SMILES C[C@@H]([C@H]([NH3+])C(=O)N1CCCC1)c1nnc(o1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C16H18Cl2N4O2/c1-9(13(19)16(23)22-6-2-3-7-22)14-20-21-15(24-14)11-5-4-10(17)8-12(11)18/h4-5,8-9,13H,2-3,6-7,19H2,1H3/p+1/t9-,13-/m0/s1
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n/an/a 560n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11664
PNG
((2S,3S)-2-amino-3-[3-(2-chloro-4-fluorophenyl)-1,2...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C16H18ClFN4O2/c1-9(13(19)16(23)22-6-2-3-7-22)15-20-14(21-24-15)11-5-4-10(18)8-12(11)17/h4-5,8-9,13H,2-3,6-7,19H2,1H3/t9-,13-/m0/s1
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n/an/a 830n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM11668
PNG
((2S,3S)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-...)
Show SMILES C[C@@H]([C@H]([NH3+])C(=O)N1CCCC1)c1nnc(o1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C16H18Cl2N4O2/c1-9(13(19)16(23)22-6-2-3-7-22)14-20-21-15(24-14)11-5-4-10(17)8-12(11)18/h4-5,8-9,13H,2-3,6-7,19H2,1H3/p+1/t9-,13-/m0/s1
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n/an/a 850n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11651
PNG
((2S,3S)-2-amino-3-[3-(2-chlorophenyl)-1,2,4-oxadia...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1Cl |r|
Show InChI InChI=1S/C16H19ClN4O2/c1-10(13(18)16(22)21-8-4-5-9-21)15-19-14(20-23-15)11-6-2-3-7-12(11)17/h2-3,6-7,10,13H,4-5,8-9,18H2,1H3/t10-,13-/m0/s1
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n/an/a 990n/an/an/an/a7.537



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM11647
PNG
((2S,3S)-2-amino-3-{3-[2-(difluoromethyl)phenyl]-1,...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1C(F)F |r|
Show InChI InChI=1S/C17H20F2N4O2/c1-10(13(20)17(24)23-8-4-5-9-23)16-21-15(22-25-16)12-7-3-2-6-11(12)14(18)19/h2-3,6-7,10,13-14H,4-5,8-9,20H2,1H3/t10-,13-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM11670
PNG
((2S,3S)-3-[4-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]...)
Show SMILES C[C@@H]([C@H]([NH3+])C(=O)N1CCCC1)c1nc(co1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C17H19Cl2N3O2/c1-10(15(20)17(23)22-6-2-3-7-22)16-21-14(9-24-16)12-5-4-11(18)8-13(12)19/h4-5,8-10,15H,2-3,6-7,20H2,1H3/p+1/t10-,15-/m0/s1
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n/an/a 1.05E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11669
PNG
((2S,3S)-3-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-...)
Show SMILES C[C@@H]([C@H]([NH3+])C(=O)N1CCCC1)c1noc(n1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C16H18Cl2N4O2/c1-9(13(19)16(23)22-6-2-3-7-22)14-20-15(24-21-14)11-5-4-10(17)8-12(11)18/h4-5,8-9,13H,2-3,6-7,19H2,1H3/p+1/t9-,13-/m0/s1
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n/an/a 1.21E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM11663
PNG
((2S,3S)-2-amino-3-[3-(4-bromo-2-chlorophenyl)-1,2,...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(Br)cc1Cl |r|
Show InChI InChI=1S/C16H18BrClN4O2/c1-9(13(19)16(23)22-6-2-3-7-22)15-20-14(21-24-15)11-5-4-10(17)8-12(11)18/h4-5,8-9,13H,2-3,6-7,19H2,1H3/t9-,13-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM11662
PNG
((2S,3S)-2-amino-3-[3-(2,4-dichlorophenyl)-1,2,4-ox...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C16H18Cl2N4O2/c1-9(13(19)16(23)22-6-2-3-7-22)15-20-14(21-24-15)11-5-4-10(17)8-12(11)18/h4-5,8-9,13H,2-3,6-7,19H2,1H3/t9-,13-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM11665
PNG
(N-(4-{5-[(2S,3S)-3-amino-4-oxo-4-(pyrrolidin-1-yl)...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(NS(C)(=O)=O)cc1Cl |r|
Show InChI InChI=1S/C17H22ClN5O4S/c1-10(14(19)17(24)23-7-3-4-8-23)16-20-15(21-27-16)12-6-5-11(9-13(12)18)22-28(2,25)26/h5-6,9-10,14,22H,3-4,7-8,19H2,1-2H3/t10-,14-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11655
PNG
((2S,3S)-2-amino-1-(pyrrolidin-1-yl)-3-{3-[4-(trifl...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C17H19F3N4O2/c1-10(13(21)16(25)24-8-2-3-9-24)15-22-14(23-26-15)11-4-6-12(7-5-11)17(18,19)20/h4-7,10,13H,2-3,8-9,21H2,1H3/t10-,13-/m0/s1
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n/an/a 1.61E+3n/an/an/an/a7.537



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM11673
PNG
((2S,3S)-3-[3-(2-chloro-4-methanesulfonamidophenyl)...)
Show SMILES C[C@@H]([C@H]([NH3+])C(=O)N1CC[C@@H](F)C1)c1nc(no1)-c1ccc(NS(C)(=O)=O)cc1Cl |r|
Show InChI InChI=1S/C17H21ClFN5O4S/c1-9(14(20)17(25)24-6-5-10(19)8-24)16-21-15(22-28-16)12-4-3-11(7-13(12)18)23-29(2,26)27/h3-4,7,9-10,14,23H,5-6,8,20H2,1-2H3/p+1/t9-,10+,14-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM11676
PNG
((2S,3S)-3-[3-(2-chloro-4-methanesulfonylphenyl)-1,...)
Show SMILES CS(=O)(=O)c1ccc(-c2noc(n2)[C@@H](CC2CC2)[C@H]([NH3+])C(=O)N2CC[C@H](F)C2)c(Cl)c1 |r|
Show InChI InChI=1S/C20H24ClFN4O4S/c1-31(28,29)13-4-5-14(16(21)9-13)18-24-19(30-25-18)15(8-11-2-3-11)17(23)20(27)26-7-6-12(22)10-26/h4-5,9,11-12,15,17H,2-3,6-8,10,23H2,1H3/p+1/t12-,15-,17-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11654
PNG
((2S,3S)-2-amino-1-(pyrrolidin-1-yl)-3-{3-[4-(trifl...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C17H19F3N4O3/c1-10(13(21)16(25)24-8-2-3-9-24)15-22-14(23-27-15)11-4-6-12(7-5-11)26-17(18,19)20/h4-7,10,13H,2-3,8-9,21H2,1H3/t10-,13-/m0/s1
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n/an/a 1.79E+3n/an/an/an/a7.537



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM11650
PNG
((2S,3S)-2-amino-1-(pyrrolidin-1-yl)-3-{3-[2-(trifl...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C17H19F3N4O2/c1-10(13(21)16(25)24-8-4-5-9-24)15-22-14(23-26-15)11-6-2-3-7-12(11)17(18,19)20/h2-3,6-7,10,13H,4-5,8-9,21H2,1H3/t10-,13-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11647
PNG
((2S,3S)-2-amino-3-{3-[2-(difluoromethyl)phenyl]-1,...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1C(F)F |r|
Show InChI InChI=1S/C17H20F2N4O2/c1-10(13(20)17(24)23-8-4-5-9-23)16-21-15(22-25-16)12-7-3-2-6-11(12)14(18)19/h2-3,6-7,10,13-14H,4-5,8-9,20H2,1H3/t10-,13-/m0/s1
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n/an/a 1.82E+3n/an/an/an/a7.537



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11670
PNG
((2S,3S)-3-[4-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]...)
Show SMILES C[C@@H]([C@H]([NH3+])C(=O)N1CCCC1)c1nc(co1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C17H19Cl2N3O2/c1-10(15(20)17(23)22-6-2-3-7-22)16-21-14(9-24-16)12-5-4-11(18)8-13(12)19/h4-5,8-10,15H,2-3,6-7,20H2,1H3/p+1/t10-,15-/m0/s1
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n/an/a 1.83E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM11651
PNG
((2S,3S)-2-amino-3-[3-(2-chlorophenyl)-1,2,4-oxadia...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1Cl |r|
Show InChI InChI=1S/C16H19ClN4O2/c1-10(13(18)16(22)21-8-4-5-9-21)15-19-14(20-23-15)11-6-2-3-7-12(11)17/h2-3,6-7,10,13H,4-5,8-9,18H2,1H3/t10-,13-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM11648
PNG
((2S,3S)-2-amino-1-(pyrrolidin-1-yl)-3-{3-[2-(trifl...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1OC(F)(F)F |r|
Show InChI InChI=1S/C17H19F3N4O3/c1-10(13(21)16(25)24-8-4-5-9-24)15-22-14(23-27-15)11-6-2-3-7-12(11)26-17(18,19)20/h2-3,6-7,10,13H,4-5,8-9,21H2,1H3/t10-,13-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM11660
PNG
((2S,3S)-2-amino-3-[3-(3,5-dichlorophenyl)-1,2,4-ox...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C16H18Cl2N4O2/c1-9(13(19)16(23)22-4-2-3-5-22)15-20-14(21-24-15)10-6-11(17)8-12(18)7-10/h6-9,13H,2-5,19H2,1H3/t9-,13-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM11672
PNG
((2S,3S)-3-[3-(2-chloro-4-methanesulfonamidophenyl)...)
Show SMILES C[C@@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1nc(no1)-c1ccc(NS(C)(=O)=O)cc1Cl |r|
Show InChI InChI=1S/C17H21ClFN5O4S/c1-9(14(20)17(25)24-6-5-10(19)8-24)16-21-15(22-28-16)12-4-3-11(7-13(12)18)23-29(2,26)27/h3-4,7,9-10,14,23H,5-6,8,20H2,1-2H3/p+1/t9-,10-,14-/m0/s1
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n/an/a 2.57E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM11680
PNG
((2S,3S)-4-cyclopropyl-1-[(3S)-3-fluoropyrrolidin-1...)
Show SMILES Cc1cc(ccc1-c1noc(n1)[C@@H](CC1CC1)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1)S(C)(=O)=O |r|
Show InChI InChI=1S/C21H27FN4O4S/c1-12-9-15(31(2,28)29)5-6-16(12)19-24-20(30-25-19)17(10-13-3-4-13)18(23)21(27)26-8-7-14(22)11-26/h5-6,9,13-14,17-18H,3-4,7-8,10-11,23H2,1-2H3/p+1/t14-,17-,18-/m0/s1
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n/an/a 2.92E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM11664
PNG
((2S,3S)-2-amino-3-[3-(2-chloro-4-fluorophenyl)-1,2...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C16H18ClFN4O2/c1-9(13(19)16(23)22-6-2-3-7-22)15-20-14(21-24-15)11-5-4-10(18)8-12(11)17/h4-5,8-9,13H,2-3,6-7,19H2,1H3/t9-,13-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11671
PNG
((2S,3S)-3-[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol...)
Show SMILES C[C@@H]([C@H]([NH3+])C(=O)N1CCCC1)c1nnc([nH]1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C16H19Cl2N5O/c1-9(13(19)16(24)23-6-2-3-7-23)14-20-15(22-21-14)11-5-4-10(17)8-12(11)18/h4-5,8-9,13H,2-3,6-7,19H2,1H3,(H,20,21,22)/p+1/t9-,13-/m0/s1
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n/an/a 3.05E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM11675
PNG
((2S,3S)-3-[3-(2-chloro-4-methanesulfonylphenyl)-1,...)
Show SMILES C[C@@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1nc(no1)-c1ccc(cc1Cl)S(C)(=O)=O |r|
Show InChI InChI=1S/C17H20ClFN4O4S/c1-9(14(20)17(24)23-6-5-10(19)8-23)16-21-15(22-27-16)12-4-3-11(7-13(12)18)28(2,25)26/h3-4,7,9-10,14H,5-6,8,20H2,1-2H3/p+1/t9-,10-,14-/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM11677
PNG
((2S,3S)-3-[3-(2-chloro-4-methanesulfonylphenyl)-1,...)
Show SMILES CC(C)C[C@@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1nc(no1)-c1ccc(cc1Cl)S(C)(=O)=O |r|
Show InChI InChI=1S/C20H26ClFN4O4S/c1-11(2)8-15(17(23)20(27)26-7-6-12(22)10-26)19-24-18(25-30-19)14-5-4-13(9-16(14)21)31(3,28)29/h4-5,9,11-12,15,17H,6-8,10,23H2,1-3H3/p+1/t12-,15-,17-/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM11653
PNG
((2S,3S)-2-amino-3-[3-(4-chlorophenyl)-1,2,4-oxadia...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C16H19ClN4O2/c1-10(13(18)16(22)21-8-2-3-9-21)15-19-14(20-23-15)11-4-6-12(17)7-5-11/h4-7,10,13H,2-3,8-9,18H2,1H3/t10-,13-/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11653
PNG
((2S,3S)-2-amino-3-[3-(4-chlorophenyl)-1,2,4-oxadia...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C16H19ClN4O2/c1-10(13(18)16(22)21-8-2-3-9-21)15-19-14(20-23-15)11-4-6-12(17)7-5-11/h4-7,10,13H,2-3,8-9,18H2,1H3/t10-,13-/m0/s1
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n/an/a 3.82E+3n/an/an/an/a7.537



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM11669
PNG
((2S,3S)-3-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-...)
Show SMILES C[C@@H]([C@H]([NH3+])C(=O)N1CCCC1)c1noc(n1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C16H18Cl2N4O2/c1-9(13(19)16(23)22-6-2-3-7-22)14-20-15(24-21-14)11-5-4-10(17)8-12(11)18/h4-5,8-9,13H,2-3,6-7,19H2,1H3/p+1/t9-,13-/m0/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM11652
PNG
((2S,3S)-2-amino-1-(pyrrolidin-1-yl)-3-{3-[3-(trifl...)
Show SMILES C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C17H19F3N4O2/c1-10(13(21)16(25)24-7-2-3-8-24)15-22-14(23-26-15)11-5-4-6-12(9-11)17(18,19)20/h4-6,9-10,13H,2-3,7-8,21H2,1H3/t10-,13-/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...


Bioorg Med Chem Lett 16: 5373-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.061
BindingDB Entry DOI: 10.7270/Q2JD4V0K
More data for this
Ligand-Target Pair
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