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Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with all data for entry = 50021142   
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))
BDBM50221444
PNG
((R)-1-((R)-8-((1H-1,2,4-triazol-1-yl)methyl)-2-(tr...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@H]1Cn1cncn1)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C19H18F6N8O/c20-12-6-14(22)13(21)4-10(12)3-11(26)5-16(34)32-1-2-33-17(29-18(30-33)19(23,24)25)15(32)7-31-9-27-8-28-31/h4,6,8-9,11,15H,1-3,5,7,26H2/t11-,15-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50221449
PNG
((3R)-1-(8-((1H-imidazol-1-yl)methyl)-2-(trifluorom...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2C1Cn1ccnc1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:13.15|
Show InChI InChI=1S/C20H19F6N7O/c21-13-8-15(23)14(22)6-11(13)5-12(27)7-17(34)32-3-4-33-18(29-19(30-33)20(24,25)26)16(32)9-31-2-1-28-10-31/h1-2,6,8,10,12,16H,3-5,7,9,27H2/t12-,16?/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50221454
PNG
((R)-1-((R)-8-(4-(trifluoromethyl)benzyl)-2-(triflu...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@H]1Cc1ccc(cc1)C(F)(F)F)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C24H20F9N5O/c25-16-11-18(27)17(26)9-13(16)8-15(34)10-20(39)37-5-6-38-21(35-22(36-38)24(31,32)33)19(37)7-12-1-3-14(4-2-12)23(28,29)30/h1-4,9,11,15,19H,5-8,10,34H2/t15-,19-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50221452
PNG
((R)-1-((R)-8-(4-fluorobenzyl)-2-(trifluoromethyl)-...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@H]1Cc1ccc(F)cc1)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C23H20F7N5O/c24-14-3-1-12(2-4-14)7-19-21-32-22(23(28,29)30)33-35(21)6-5-34(19)20(36)10-15(31)8-13-9-17(26)18(27)11-16(13)25/h1-4,9,11,15,19H,5-8,10,31H2/t15-,19-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50221442
PNG
((3R)-1-(8-((1H-pyrazol-1-yl)methyl)-2-(trifluorome...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2C1Cn1cccn1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:13.15|
Show InChI InChI=1S/C20H19F6N7O/c21-13-9-15(23)14(22)7-11(13)6-12(27)8-17(34)32-4-5-33-18(29-19(30-33)20(24,25)26)16(32)10-31-3-1-2-28-31/h1-3,7,9,12,16H,4-6,8,10,27H2/t12-,16?/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50221453
PNG
((3R)-1-(8-((1H-1,2,4-triazol-1-yl)methyl)-2-(trifl...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2C1Cn1cncn1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:13.15|
Show InChI InChI=1S/C19H18F6N8O/c20-12-6-14(22)13(21)4-10(12)3-11(26)5-16(34)32-1-2-33-17(29-18(30-33)19(23,24)25)15(32)7-31-9-27-8-28-31/h4,6,8-9,11,15H,1-3,5,7,26H2/t11-,15?/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50221451
PNG
((R)-3-amino-1-((R)-8-(cyclopropylmethyl)-2-(triflu...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@H]1CC1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H21F6N5O/c21-13-9-15(23)14(22)7-11(13)6-12(27)8-17(32)30-3-4-31-18(16(30)5-10-1-2-10)28-19(29-31)20(24,25)26/h7,9-10,12,16H,1-6,8,27H2/t12-,16-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50221445
PNG
((R)-3-amino-1-((R)-8-(cyclopropylfluoromethyl)-2-(...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@@H]1C(F)C1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:14.16|
Show InChI InChI=1S/C20H20F7N5O/c21-12-8-14(23)13(22)6-10(12)5-11(28)7-15(33)31-3-4-32-18(17(31)16(24)9-1-2-9)29-19(30-32)20(25,26)27/h6,8-9,11,16-17H,1-5,7,28H2/t11-,16?,17+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50221445
PNG
((R)-3-amino-1-((R)-8-(cyclopropylfluoromethyl)-2-(...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@@H]1C(F)C1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:14.16|
Show InChI InChI=1S/C20H20F7N5O/c21-12-8-14(23)13(22)6-10(12)5-11(28)7-15(33)31-3-4-32-18(17(31)16(24)9-1-2-9)29-19(30-32)20(25,26)27/h6,8-9,11,16-17H,1-5,7,28H2/t11-,16?,17+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50221446
PNG
((R)-3-amino-1-((R)-8-(cyclopropyl(hydroxy)methyl)-...)
Show SMILES NC(CC(=O)N1CCn2nc(nc2[C@@H]1C(O)C1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:1.0,14.16|
Show InChI InChI=1S/C20H21F6N5O2/c21-12-8-14(23)13(22)6-10(12)5-11(27)7-15(32)30-3-4-31-18(16(30)17(33)9-1-2-9)28-19(29-31)20(24,25)26/h6,8-9,11,16-17,33H,1-5,7,27H2/t11?,16-,17?/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50221440
PNG
((R)-3-amino-1-((R)-8-(cyclopropyl(hydroxy)methyl)-...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@@H]1C(O)C1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:14.16|
Show InChI InChI=1S/C20H21F6N5O2/c21-12-8-14(23)13(22)6-10(12)5-11(27)7-15(32)30-3-4-31-18(16(30)17(33)9-1-2-9)28-19(29-31)20(24,25)26/h6,8-9,11,16-17,33H,1-5,7,27H2/t11-,16+,17?/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11162
PNG
((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50221443
PNG
((2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHY...)
Show SMILES C[C@H]1N(CCn2nc(nc12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C17H17F6N5O/c1-8-15-25-16(17(21,22)23)26-28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18/h5,7-8,10H,2-4,6,24H2,1H3/t8-,10-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50221447
PNG
((R)-3-amino-1-(2-(trifluoromethyl)-5,6-dihydro-[1,...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2C1)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-15(25-27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
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n/an/a 59n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50221448
PNG
((R)-3-amino-1-(2-phenyl-5,6-dihydro-[1,2,4]triazol...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2C1)-c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H20F3N5O/c22-16-11-18(24)17(23)9-14(16)8-15(25)10-20(30)28-6-7-29-19(12-28)26-21(27-29)13-4-2-1-3-5-13/h1-5,9,11,15H,6-8,10,12,25H2/t15-/m1/s1
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n/an/a 68n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50221441
PNG
((R)-3-amino-1-(2-cyclopropyl-5,6-dihydro-[1,2,4]tr...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2C1)C1CC1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C18H20F3N5O/c19-13-8-15(21)14(20)6-11(13)5-12(22)7-17(27)25-3-4-26-16(9-25)23-18(24-26)10-1-2-10/h6,8,10,12H,1-5,7,9,22H2/t12-/m1/s1
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n/an/a 71n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50221450
PNG
((R)-3-amino-1-(5,6-dihydro-[1,2,4]triazolo[1,5-a]p...)
Show SMILES N[C@@H](CC(=O)N1CCn2ncnc2C1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C15H16F3N5O/c16-11-6-13(18)12(17)4-9(11)3-10(19)5-15(24)22-1-2-23-14(7-22)20-8-21-23/h4,6,8,10H,1-3,5,7,19H2/t10-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50221455
PNG
((R)-3-amino-1-((S)-8-methyl-2-(trifluoromethyl)-5,...)
Show SMILES C[C@@H]1N(CCn2nc(nc12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C17H17F6N5O/c1-8-15-25-16(17(21,22)23)26-28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18/h5,7-8,10H,2-4,6,24H2,1H3/t8-,10+/m0/s1
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n/an/a 274n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50221448
PNG
((R)-3-amino-1-(2-phenyl-5,6-dihydro-[1,2,4]triazol...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2C1)-c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H20F3N5O/c22-16-11-18(24)17(23)9-14(16)8-15(25)10-20(30)28-6-7-29-19(12-28)26-21(27-29)13-4-2-1-3-5-13/h1-5,9,11,15H,6-8,10,12,25H2/t15-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50221445
PNG
((R)-3-amino-1-((R)-8-(cyclopropylfluoromethyl)-2-(...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@@H]1C(F)C1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:14.16|
Show InChI InChI=1S/C20H20F7N5O/c21-12-8-14(23)13(22)6-10(12)5-11(28)7-15(33)31-3-4-32-18(17(31)16(24)9-1-2-9)29-19(30-32)20(25,26)27/h6,8-9,11,16-17H,1-5,7,28H2/t11-,16?,17+/m1/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50221445
PNG
((R)-3-amino-1-((R)-8-(cyclopropylfluoromethyl)-2-(...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@@H]1C(F)C1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:14.16|
Show InChI InChI=1S/C20H20F7N5O/c21-12-8-14(23)13(22)6-10(12)5-11(28)7-15(33)31-3-4-32-18(17(31)16(24)9-1-2-9)29-19(30-32)20(25,26)27/h6,8-9,11,16-17H,1-5,7,28H2/t11-,16?,17+/m1/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50221451
PNG
((R)-3-amino-1-((R)-8-(cyclopropylmethyl)-2-(triflu...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@H]1CC1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H21F6N5O/c21-13-9-15(23)14(22)7-11(13)6-12(27)8-17(32)30-3-4-31-18(16(30)5-10-1-2-10)28-19(29-31)20(24,25)26/h7,9-10,12,16H,1-6,8,27H2/t12-,16-/m1/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50221442
PNG
((3R)-1-(8-((1H-pyrazol-1-yl)methyl)-2-(trifluorome...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2C1Cn1cccn1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:13.15|
Show InChI InChI=1S/C20H19F6N7O/c21-13-9-15(23)14(22)7-11(13)6-12(27)8-17(34)32-4-5-33-18(29-19(30-33)20(24,25)26)16(32)10-31-3-1-2-28-31/h1-3,7,9,12,16H,4-6,8,10,27H2/t12-,16?/m1/s1
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n/an/a 9.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50221454
PNG
((R)-1-((R)-8-(4-(trifluoromethyl)benzyl)-2-(triflu...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@H]1Cc1ccc(cc1)C(F)(F)F)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C24H20F9N5O/c25-16-11-18(27)17(26)9-13(16)8-15(34)10-20(39)37-5-6-38-21(35-22(36-38)24(31,32)33)19(37)7-12-1-3-14(4-2-12)23(28,29)30/h1-4,9,11,15,19H,5-8,10,34H2/t15-,19-/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50221454
PNG
((R)-1-((R)-8-(4-(trifluoromethyl)benzyl)-2-(triflu...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@H]1Cc1ccc(cc1)C(F)(F)F)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C24H20F9N5O/c25-16-11-18(27)17(26)9-13(16)8-15(34)10-20(39)37-5-6-38-21(35-22(36-38)24(31,32)33)19(37)7-12-1-3-14(4-2-12)23(28,29)30/h1-4,9,11,15,19H,5-8,10,34H2/t15-,19-/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50221440
PNG
((R)-3-amino-1-((R)-8-(cyclopropyl(hydroxy)methyl)-...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@@H]1C(O)C1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:14.16|
Show InChI InChI=1S/C20H21F6N5O2/c21-12-8-14(23)13(22)6-10(12)5-11(27)7-15(32)30-3-4-31-18(16(30)17(33)9-1-2-9)28-19(29-31)20(24,25)26/h6,8-9,11,16-17,33H,1-5,7,27H2/t11-,16+,17?/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50221444
PNG
((R)-1-((R)-8-((1H-1,2,4-triazol-1-yl)methyl)-2-(tr...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@H]1Cn1cncn1)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C19H18F6N8O/c20-12-6-14(22)13(21)4-10(12)3-11(26)5-16(34)32-1-2-33-17(29-18(30-33)19(23,24)25)15(32)7-31-9-27-8-28-31/h4,6,8-9,11,15H,1-3,5,7,26H2/t11-,15-/m1/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50221443
PNG
((2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHY...)
Show SMILES C[C@H]1N(CCn2nc(nc12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C17H17F6N5O/c1-8-15-25-16(17(21,22)23)26-28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18/h5,7-8,10H,2-4,6,24H2,1H3/t8-,10-/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50221452
PNG
((R)-1-((R)-8-(4-fluorobenzyl)-2-(trifluoromethyl)-...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@H]1Cc1ccc(F)cc1)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C23H20F7N5O/c24-14-3-1-12(2-4-14)7-19-21-32-22(23(28,29)30)33-35(21)6-5-34(19)20(36)10-15(31)8-13-9-17(26)18(27)11-16(13)25/h1-4,9,11,15,19H,5-8,10,31H2/t15-,19-/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50221449
PNG
((3R)-1-(8-((1H-imidazol-1-yl)methyl)-2-(trifluorom...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2C1Cn1ccnc1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:13.15|
Show InChI InChI=1S/C20H19F6N7O/c21-13-8-15(23)14(22)6-11(13)5-12(27)7-17(34)32-3-4-33-18(29-19(30-33)20(24,25)26)16(32)9-31-2-1-28-10-31/h1-2,6,8,10,12,16H,3-5,7,9,27H2/t12-,16?/m1/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50221454
PNG
((R)-1-((R)-8-(4-(trifluoromethyl)benzyl)-2-(triflu...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@H]1Cc1ccc(cc1)C(F)(F)F)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C24H20F9N5O/c25-16-11-18(27)17(26)9-13(16)8-15(34)10-20(39)37-5-6-38-21(35-22(36-38)24(31,32)33)19(37)7-12-1-3-14(4-2-12)23(28,29)30/h1-4,9,11,15,19H,5-8,10,34H2/t15-,19-/m1/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50221452
PNG
((R)-1-((R)-8-(4-fluorobenzyl)-2-(trifluoromethyl)-...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@H]1Cc1ccc(F)cc1)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C23H20F7N5O/c24-14-3-1-12(2-4-14)7-19-21-32-22(23(28,29)30)33-35(21)6-5-34(19)20(36)10-15(31)8-13-9-17(26)18(27)11-16(13)25/h1-4,9,11,15,19H,5-8,10,31H2/t15-,19-/m1/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50221449
PNG
((3R)-1-(8-((1H-imidazol-1-yl)methyl)-2-(trifluorom...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2C1Cn1ccnc1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:13.15|
Show InChI InChI=1S/C20H19F6N7O/c21-13-8-15(23)14(22)6-11(13)5-12(27)7-17(34)32-3-4-33-18(29-19(30-33)20(24,25)26)16(32)9-31-2-1-28-10-31/h1-2,6,8,10,12,16H,3-5,7,9,27H2/t12-,16?/m1/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50221446
PNG
((R)-3-amino-1-((R)-8-(cyclopropyl(hydroxy)methyl)-...)
Show SMILES NC(CC(=O)N1CCn2nc(nc2[C@@H]1C(O)C1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:1.0,14.16|
Show InChI InChI=1S/C20H21F6N5O2/c21-12-8-14(23)13(22)6-10(12)5-11(27)7-15(32)30-3-4-31-18(16(30)17(33)9-1-2-9)28-19(29-31)20(24,25)26/h6,8-9,11,16-17,33H,1-5,7,27H2/t11?,16-,17?/m0/s1
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n/an/a 3.30E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50221448
PNG
((R)-3-amino-1-(2-phenyl-5,6-dihydro-[1,2,4]triazol...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2C1)-c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H20F3N5O/c22-16-11-18(24)17(23)9-14(16)8-15(25)10-20(30)28-6-7-29-19(12-28)26-21(27-29)13-4-2-1-3-5-13/h1-5,9,11,15H,6-8,10,12,25H2/t15-/m1/s1
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n/an/a 4.40E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50221453
PNG
((3R)-1-(8-((1H-1,2,4-triazol-1-yl)methyl)-2-(trifl...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2C1Cn1cncn1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:13.15|
Show InChI InChI=1S/C19H18F6N8O/c20-12-6-14(22)13(21)4-10(12)3-11(26)5-16(34)32-1-2-33-17(29-18(30-33)19(23,24)25)15(32)7-31-9-27-8-28-31/h4,6,8-9,11,15H,1-3,5,7,26H2/t11-,15?/m1/s1
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n/an/a 4.90E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50221451
PNG
((R)-3-amino-1-((R)-8-(cyclopropylmethyl)-2-(triflu...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@H]1CC1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H21F6N5O/c21-13-9-15(23)14(22)7-11(13)6-12(27)8-17(32)30-3-4-31-18(16(30)5-10-1-2-10)28-19(29-31)20(24,25)26/h7,9-10,12,16H,1-6,8,27H2/t12-,16-/m1/s1
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n/an/a 5.40E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50221447
PNG
((R)-3-amino-1-(2-(trifluoromethyl)-5,6-dihydro-[1,...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2C1)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-15(25-27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
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n/an/a 5.40E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50221452
PNG
((R)-1-((R)-8-(4-fluorobenzyl)-2-(trifluoromethyl)-...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@H]1Cc1ccc(F)cc1)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C23H20F7N5O/c24-14-3-1-12(2-4-14)7-19-21-32-22(23(28,29)30)33-35(21)6-5-34(19)20(36)10-15(31)8-13-9-17(26)18(27)11-16(13)25/h1-4,9,11,15,19H,5-8,10,31H2/t15-,19-/m1/s1
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n/an/a 6.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50221447
PNG
((R)-3-amino-1-(2-(trifluoromethyl)-5,6-dihydro-[1,...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2C1)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-15(25-27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
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n/an/a 6.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50221445
PNG
((R)-3-amino-1-((R)-8-(cyclopropylfluoromethyl)-2-(...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@@H]1C(F)C1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:14.16|
Show InChI InChI=1S/C20H20F7N5O/c21-12-8-14(23)13(22)6-10(12)5-11(28)7-15(33)31-3-4-32-18(17(31)16(24)9-1-2-9)29-19(30-32)20(25,26)27/h6,8-9,11,16-17H,1-5,7,28H2/t11-,16?,17+/m1/s1
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n/an/a 6.30E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50221445
PNG
((R)-3-amino-1-((R)-8-(cyclopropylfluoromethyl)-2-(...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@@H]1C(F)C1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:14.16|
Show InChI InChI=1S/C20H20F7N5O/c21-12-8-14(23)13(22)6-10(12)5-11(28)7-15(33)31-3-4-32-18(17(31)16(24)9-1-2-9)29-19(30-32)20(25,26)27/h6,8-9,11,16-17H,1-5,7,28H2/t11-,16?,17+/m1/s1
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n/an/a 6.30E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50221451
PNG
((R)-3-amino-1-((R)-8-(cyclopropylmethyl)-2-(triflu...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@H]1CC1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H21F6N5O/c21-13-9-15(23)14(22)7-11(13)6-12(27)8-17(32)30-3-4-31-18(16(30)5-10-1-2-10)28-19(29-31)20(24,25)26/h7,9-10,12,16H,1-6,8,27H2/t12-,16-/m1/s1
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n/an/a 7.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50221455
PNG
((R)-3-amino-1-((S)-8-methyl-2-(trifluoromethyl)-5,...)
Show SMILES C[C@@H]1N(CCn2nc(nc12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C17H17F6N5O/c1-8-15-25-16(17(21,22)23)26-28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18/h5,7-8,10H,2-4,6,24H2,1H3/t8-,10+/m0/s1
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n/an/a 7.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50221446
PNG
((R)-3-amino-1-((R)-8-(cyclopropyl(hydroxy)methyl)-...)
Show SMILES NC(CC(=O)N1CCn2nc(nc2[C@@H]1C(O)C1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:1.0,14.16|
Show InChI InChI=1S/C20H21F6N5O2/c21-12-8-14(23)13(22)6-10(12)5-11(27)7-15(32)30-3-4-31-18(16(30)17(33)9-1-2-9)28-19(29-31)20(24,25)26/h6,8-9,11,16-17,33H,1-5,7,27H2/t11?,16-,17?/m0/s1
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n/an/a 8.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50221443
PNG
((2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHY...)
Show SMILES C[C@H]1N(CCn2nc(nc12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C17H17F6N5O/c1-8-15-25-16(17(21,22)23)26-28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18/h5,7-8,10H,2-4,6,24H2,1H3/t8-,10-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50221447
PNG
((R)-3-amino-1-(2-(trifluoromethyl)-5,6-dihydro-[1,...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2C1)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-15(25-27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50221449
PNG
((3R)-1-(8-((1H-imidazol-1-yl)methyl)-2-(trifluorom...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2C1Cn1ccnc1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:13.15|
Show InChI InChI=1S/C20H19F6N7O/c21-13-8-15(23)14(22)6-11(13)5-12(27)7-17(34)32-3-4-33-18(29-19(30-33)20(24,25)26)16(32)9-31-2-1-28-10-31/h1-2,6,8,10,12,16H,3-5,7,9,27H2/t12-,16?/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50221450
PNG
((R)-3-amino-1-(5,6-dihydro-[1,2,4]triazolo[1,5-a]p...)
Show SMILES N[C@@H](CC(=O)N1CCn2ncnc2C1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C15H16F3N5O/c16-11-6-13(18)12(17)4-9(11)3-10(19)5-15(24)22-1-2-23-14(7-22)20-8-21-23/h4,6,8,10H,1-3,5,7,19H2/t10-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50221444
PNG
((R)-1-((R)-8-((1H-1,2,4-triazol-1-yl)methyl)-2-(tr...)
Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@H]1Cn1cncn1)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C19H18F6N8O/c20-12-6-14(22)13(21)4-10(12)3-11(26)5-16(34)32-1-2-33-17(29-18(30-33)19(23,24)25)15(32)7-31-9-27-8-28-31/h4,6,8-9,11,15H,1-3,5,7,26H2/t11-,15-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 17: 5934-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.100
BindingDB Entry DOI: 10.7270/Q20C4VH0
More data for this
Ligand-Target Pair
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