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PubMed code 17331715

Compile data set for download or QSAR
Found 19 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 IV


(Sus scrofa (pig))
BDBM50206821
PNG
((R)-3-amino-1-(2-benzoylpiperazin-1-yl)-4-(2,4,5-t...)
Show SMILES N[C@@H](CC(=O)N1CCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H22F3N3O2/c22-17-13-19(24)18(23)11-15(17)10-16(25)12-20(28)26-8-4-5-9-27(26)21(29)14-6-2-1-3-7-14/h1-3,6-7,11,13,16H,4-5,8-10,12,25H2/t16-/m1/s1
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PubMed
44n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of pig kidney DPP4


Bioorg Med Chem Lett 17: 2622-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.111
BindingDB Entry DOI: 10.7270/Q21V5FS4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50206820
PNG
((R)-3-amino-1-(2-benzoyl-1,2-diazepan-1-yl)-4-(2,4...)
Show SMILES N[C@@H](CC(=O)N1CCCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C22H24F3N3O2/c23-18-14-20(25)19(24)12-16(18)11-17(26)13-21(29)27-9-5-2-6-10-28(27)22(30)15-7-3-1-4-8-15/h1,3-4,7-8,12,14,17H,2,5-6,9-11,13,26H2/t17-/m1/s1
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56.2n/an/an/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of pig kidney DPP4


Bioorg Med Chem Lett 17: 2622-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.111
BindingDB Entry DOI: 10.7270/Q21V5FS4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50206821
PNG
((R)-3-amino-1-(2-benzoylpiperazin-1-yl)-4-(2,4,5-t...)
Show SMILES N[C@@H](CC(=O)N1CCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H22F3N3O2/c22-17-13-19(24)18(23)11-15(17)10-16(25)12-20(28)26-8-4-5-9-27(26)21(29)14-6-2-1-3-7-14/h1-3,6-7,11,13,16H,4-5,8-10,12,25H2/t16-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 2622-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.111
BindingDB Entry DOI: 10.7270/Q21V5FS4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(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
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 50n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 2622-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.111
BindingDB Entry DOI: 10.7270/Q21V5FS4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50206820
PNG
((R)-3-amino-1-(2-benzoyl-1,2-diazepan-1-yl)-4-(2,4...)
Show SMILES N[C@@H](CC(=O)N1CCCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C22H24F3N3O2/c23-18-14-20(25)19(24)12-16(18)11-17(26)13-21(29)27-9-5-2-6-10-28(27)22(30)15-7-3-1-4-8-15/h1,3-4,7-8,12,14,17H,2,5-6,9-11,13,26H2/t17-/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 2622-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.111
BindingDB Entry DOI: 10.7270/Q21V5FS4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50206824
PNG
((R)-3-amino-1-(2-benzoylpyrazolidin-1-yl)-4-(2,4,5...)
Show SMILES N[C@@H](CC(=O)N1CCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H20F3N3O2/c21-16-12-18(23)17(22)10-14(16)9-15(24)11-19(27)25-7-4-8-26(25)20(28)13-5-2-1-3-6-13/h1-3,5-6,10,12,15H,4,7-9,11,24H2/t15-/m1/s1
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n/an/a 350n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 2622-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.111
BindingDB Entry DOI: 10.7270/Q21V5FS4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50206825
PNG
((R)-3-amino-1-(2-tosylpyrazolidin-1-yl)-4-(2,4,5-t...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H22F3N3O3S/c1-13-3-5-16(6-4-13)30(28,29)26-8-2-7-25(26)20(27)11-15(24)9-14-10-18(22)19(23)12-17(14)21/h3-6,10,12,15H,2,7-9,11,24H2,1H3/t15-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 2622-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.111
BindingDB Entry DOI: 10.7270/Q21V5FS4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50206823
PNG
((R)-2-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...)
Show SMILES N[C@@H](CC(=O)N1CCCN1C(=O)Nc1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H21F3N4O2/c21-16-12-18(23)17(22)10-13(16)9-14(24)11-19(28)26-7-4-8-27(26)20(29)25-15-5-2-1-3-6-15/h1-3,5-6,10,12,14H,4,7-9,11,24H2,(H,25,29)/t14-/m1/s1
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n/an/a 990n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 2622-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.111
BindingDB Entry DOI: 10.7270/Q21V5FS4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50206826
PNG
((R)-3-amino-1-(pyrazolidin-1-yl)-4-(2,4,5-trifluor...)
Show SMILES N[C@@H](CC(=O)N1CCCN1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C13H16F3N3O/c14-10-7-12(16)11(15)5-8(10)4-9(17)6-13(20)19-3-1-2-18-19/h5,7,9,18H,1-4,6,17H2/t9-/m1/s1
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n/an/a 3.85E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 17: 2622-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.111
BindingDB Entry DOI: 10.7270/Q21V5FS4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50206820
PNG
((R)-3-amino-1-(2-benzoyl-1,2-diazepan-1-yl)-4-(2,4...)
Show SMILES N[C@@H](CC(=O)N1CCCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C22H24F3N3O2/c23-18-14-20(25)19(24)12-16(18)11-17(26)13-21(29)27-9-5-2-6-10-28(27)22(30)15-7-3-1-4-8-15/h1,3-4,7-8,12,14,17H,2,5-6,9-11,13,26H2/t17-/m1/s1
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n/an/a 1.82E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP2


Bioorg Med Chem Lett 17: 2622-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.111
BindingDB Entry DOI: 10.7270/Q21V5FS4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IX


(Homo sapiens (human))
BDBM50206820
PNG
((R)-3-amino-1-(2-benzoyl-1,2-diazepan-1-yl)-4-(2,4...)
Show SMILES N[C@@H](CC(=O)N1CCCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C22H24F3N3O2/c23-18-14-20(25)19(24)12-16(18)11-17(26)13-21(29)27-9-5-2-6-10-28(27)22(30)15-7-3-1-4-8-15/h1,3-4,7-8,12,14,17H,2,5-6,9-11,13,26H2/t17-/m1/s1
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n/an/a 4.87E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 17: 2622-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.111
BindingDB Entry DOI: 10.7270/Q21V5FS4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50206821
PNG
((R)-3-amino-1-(2-benzoylpiperazin-1-yl)-4-(2,4,5-t...)
Show SMILES N[C@@H](CC(=O)N1CCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H22F3N3O2/c22-17-13-19(24)18(23)11-15(17)10-16(25)12-20(28)26-8-4-5-9-27(26)21(29)14-6-2-1-3-7-14/h1-3,6-7,11,13,16H,4-5,8-10,12,25H2/t16-/m1/s1
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n/an/a 7.20E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP2


Bioorg Med Chem Lett 17: 2622-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.111
BindingDB Entry DOI: 10.7270/Q21V5FS4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50206820
PNG
((R)-3-amino-1-(2-benzoyl-1,2-diazepan-1-yl)-4-(2,4...)
Show SMILES N[C@@H](CC(=O)N1CCCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C22H24F3N3O2/c23-18-14-20(25)19(24)12-16(18)11-17(26)13-21(29)27-9-5-2-6-10-28(27)22(30)15-7-3-1-4-8-15/h1,3-4,7-8,12,14,17H,2,5-6,9-11,13,26H2/t17-/m1/s1
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n/an/a 8.91E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 17: 2622-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.111
BindingDB Entry DOI: 10.7270/Q21V5FS4
More data for this
Ligand-Target Pair
Endopeptidase prolyl oligopeptidase (PREP)


(Homo sapiens (Human))
BDBM50206821
PNG
((R)-3-amino-1-(2-benzoylpiperazin-1-yl)-4-(2,4,5-t...)
Show SMILES N[C@@H](CC(=O)N1CCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H22F3N3O2/c22-17-13-19(24)18(23)11-15(17)10-16(25)12-20(28)26-8-4-5-9-27(26)21(29)14-6-2-1-3-7-14/h1-3,6-7,11,13,16H,4-5,8-10,12,25H2/t16-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of POP


Bioorg Med Chem Lett 17: 2622-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.111
BindingDB Entry DOI: 10.7270/Q21V5FS4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50206821
PNG
((R)-3-amino-1-(2-benzoylpiperazin-1-yl)-4-(2,4,5-t...)
Show SMILES N[C@@H](CC(=O)N1CCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H22F3N3O2/c22-17-13-19(24)18(23)11-15(17)10-16(25)12-20(28)26-8-4-5-9-27(26)21(29)14-6-2-1-3-7-14/h1-3,6-7,11,13,16H,4-5,8-10,12,25H2/t16-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 17: 2622-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.111
BindingDB Entry DOI: 10.7270/Q21V5FS4
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens)
BDBM50206820
PNG
((R)-3-amino-1-(2-benzoyl-1,2-diazepan-1-yl)-4-(2,4...)
Show SMILES N[C@@H](CC(=O)N1CCCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C22H24F3N3O2/c23-18-14-20(25)19(24)12-16(18)11-17(26)13-21(29)27-9-5-2-6-10-28(27)22(30)15-7-3-1-4-8-15/h1,3-4,7-8,12,14,17H,2,5-6,9-11,13,26H2/t17-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 2622-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.111
BindingDB Entry DOI: 10.7270/Q21V5FS4
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens)
BDBM50206821
PNG
((R)-3-amino-1-(2-benzoylpiperazin-1-yl)-4-(2,4,5-t...)
Show SMILES N[C@@H](CC(=O)N1CCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H22F3N3O2/c22-17-13-19(24)18(23)11-15(17)10-16(25)12-20(28)26-8-4-5-9-27(26)21(29)14-6-2-1-3-7-14/h1-3,6-7,11,13,16H,4-5,8-10,12,25H2/t16-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 2622-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.111
BindingDB Entry DOI: 10.7270/Q21V5FS4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IX


(Homo sapiens (human))
BDBM50206821
PNG
((R)-3-amino-1-(2-benzoylpiperazin-1-yl)-4-(2,4,5-t...)
Show SMILES N[C@@H](CC(=O)N1CCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H22F3N3O2/c22-17-13-19(24)18(23)11-15(17)10-16(25)12-20(28)26-8-4-5-9-27(26)21(29)14-6-2-1-3-7-14/h1-3,6-7,11,13,16H,4-5,8-10,12,25H2/t16-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 17: 2622-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.111
BindingDB Entry DOI: 10.7270/Q21V5FS4
More data for this
Ligand-Target Pair
Endopeptidase prolyl oligopeptidase (PREP)


(Homo sapiens (Human))
BDBM50206820
PNG
((R)-3-amino-1-(2-benzoyl-1,2-diazepan-1-yl)-4-(2,4...)
Show SMILES N[C@@H](CC(=O)N1CCCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C22H24F3N3O2/c23-18-14-20(25)19(24)12-16(18)11-17(26)13-21(29)27-9-5-2-6-10-28(27)22(30)15-7-3-1-4-8-15/h1,3-4,7-8,12,14,17H,2,5-6,9-11,13,26H2/t17-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of POP


Bioorg Med Chem Lett 17: 2622-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.111
BindingDB Entry DOI: 10.7270/Q21V5FS4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%