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PubMed code 18243422

Compile data set for download or QSAR
Found 35 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
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 110n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245529
PNG
(CHEMBL488022 | R)-{4-[{2-[3-Amino-4-(2,4,5-trifluo...)
Show SMILES N[C@@H](CC(=O)N1N=CCC1C(=O)Nc1ccc(OCC(O)=O)cc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C22H21F3N4O5/c23-16-10-18(25)17(24)8-12(16)7-13(26)9-20(30)29-19(5-6-27-29)22(33)28-14-1-3-15(4-2-14)34-11-21(31)32/h1-4,6,8,10,13,19H,5,7,9,11,26H2,(H,28,33)(H,31,32)/t13-,19?/m1/s1
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n/an/a 510n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245468
PNG
((R)-{4-[{2-[3-Amino-4-(2,4,5-trifluorophenyl)butyr...)
Show SMILES CCOC(=O)COc1ccc(NC(=O)C2CC=NN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1
Show InChI InChI=1S/C24H25F3N4O5/c1-2-35-23(33)13-36-17-5-3-16(4-6-17)30-24(34)21-7-8-29-31(21)22(32)11-15(28)9-14-10-19(26)20(27)12-18(14)25/h3-6,8,10,12,15,21H,2,7,9,11,13,28H2,1H3,(H,30,34)/t15-,21?/m1/s1
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n/an/a 690n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245275
PNG
((R)-2-[3-Amino-4-(2,4,5-trifluorophenyl)butyryl]-3...)
Show SMILES N[C@@H](CC(=O)N1N=CCC1C(=O)OCc1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H20F3N3O3/c22-16-11-18(24)17(23)9-14(16)8-15(25)10-20(28)27-19(6-7-26-27)21(29)30-12-13-4-2-1-3-5-13/h1-5,7,9,11,15,19H,6,8,10,12,25H2/t15-,19?/m1/s1
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n/an/a 710n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245359
PNG
((R)-4-({2-[3-Amino-4-(2,4,5-trifluorophenyl)butyry...)
Show SMILES CCOC(=O)c1ccc(NC(=O)C2CC=NN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1
Show InChI InChI=1S/C23H23F3N4O4/c1-2-34-23(33)13-3-5-16(6-4-13)29-22(32)20-7-8-28-30(20)21(31)11-15(27)9-14-10-18(25)19(26)12-17(14)24/h3-6,8,10,12,15,20H,2,7,9,11,27H2,1H3,(H,29,32)/t15-,20?/m1/s1
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n/an/a 770n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245404
PNG
((R)-2-[3-Amino-4-(2,4,5-trifluorophenyl)butyryl]-3...)
Show SMILES N[C@@H](CC(=O)N1N=CCC1C(=O)NCc1ccc(N)cc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H22F3N5O2/c22-16-10-18(24)17(23)8-13(16)7-15(26)9-20(30)29-19(5-6-28-29)21(31)27-11-12-1-3-14(25)4-2-12/h1-4,6,8,10,15,19H,5,7,9,11,25-26H2,(H,27,31)/t15-,19?/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245274
PNG
((R)-2-[3-Amino-4-(2,4,5-trifluorophenyl)butyryl]-3...)
Show SMILES N[C@@H](CC(=O)N1N=CCC1C(O)=O)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C14H14F3N3O3/c15-9-6-11(17)10(16)4-7(9)3-8(18)5-13(21)20-12(14(22)23)1-2-19-20/h2,4,6,8,12H,1,3,5,18H2,(H,22,23)/t8-,12?/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245503
PNG
((R)-4-[({2-[3-Amino-4-(2,4,5-trifluorophenyl)butyr...)
Show SMILES N[C@@H](CC(=O)N1N=CCC1C(=O)NCc1ccc(cc1)C(O)=O)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C22H21F3N4O4/c23-16-10-18(25)17(24)8-14(16)7-15(26)9-20(30)29-19(5-6-28-29)21(31)27-11-12-1-3-13(4-2-12)22(32)33/h1-4,6,8,10,15,19H,5,7,9,11,26H2,(H,27,31)(H,32,33)/t15-,19?/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245439
PNG
((R)-2-[3-Amino-4-(2,4,5-trifluorophenyl)butyryl]-3...)
Show SMILES N[C@@H](CC(=O)N1N=CCC1C(=O)Nc1ccc(cc1)N1CCOCC1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C24H26F3N5O3/c25-19-14-21(27)20(26)12-15(19)11-16(28)13-23(33)32-22(5-6-29-32)24(34)30-17-1-3-18(4-2-17)31-7-9-35-10-8-31/h1-4,6,12,14,16,22H,5,7-11,13,28H2,(H,30,34)/t16-,22?/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245358
PNG
((R)-2-[3-Amino-4-(2,4,5-trifluorophenyl)butyryl]-3...)
Show SMILES N[C@@H](CC(=O)N1N=CCC1C(=O)Nc1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H19F3N4O2/c21-15-11-17(23)16(22)9-12(15)8-13(24)10-19(28)27-18(6-7-25-27)20(29)26-14-4-2-1-3-5-14/h1-5,7,9,11,13,18H,6,8,10,24H2,(H,26,29)/t13-,18?/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245318
PNG
((R)-2-[3-Amino-4-(2,4,5-trifluorophenyl)butyryl]-3...)
Show SMILES CCOC(=O)c1ccc(OC(=O)C2CC=NN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1
Show InChI InChI=1S/C23H22F3N3O5/c1-2-33-22(31)13-3-5-16(6-4-13)34-23(32)20-7-8-28-29(20)21(30)11-15(27)9-14-10-18(25)19(26)12-17(14)24/h3-6,8,10,12,15,20H,2,7,9,11,27H2,1H3/t15-,20?/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245321
PNG
((R)-2-[3-Amino-4-(2,4,5-trifluorophenyl)butyryl]-3...)
Show SMILES N[C@@H](CC(=O)N1N=CCC1C(=O)NCc1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H21F3N4O2/c22-16-11-18(24)17(23)9-14(16)8-15(25)10-20(29)28-19(6-7-27-28)21(30)26-12-13-4-2-1-3-5-13/h1-5,7,9,11,15,19H,6,8,10,12,25H2,(H,26,30)/t15-,19?/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245319
PNG
((R)-2-[3-Amino-4-(2,4,5-trifluorophenyl)butyryl]-3...)
Show SMILES COC(=O)Cc1ccc(OC(=O)C2CC=NN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1
Show InChI InChI=1S/C23H22F3N3O5/c1-33-22(31)8-13-2-4-16(5-3-13)34-23(32)20-6-7-28-29(20)21(30)11-15(27)9-14-10-18(25)19(26)12-17(14)24/h2-5,7,10,12,15,20H,6,8-9,11,27H2,1H3/t15-,20?/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245469
PNG
((R)-{3-[{2-[3-Amino-4-(2,4,5-trifluorophenyl)butyr...)
Show SMILES CCOC(=O)COc1cccc(NC(=O)C2CC=NN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)c1
Show InChI InChI=1S/C24H25F3N4O5/c1-2-35-23(33)13-36-17-5-3-4-16(11-17)30-24(34)21-6-7-29-31(21)22(32)10-15(28)8-14-9-19(26)20(27)12-18(14)25/h3-5,7,9,11-12,15,21H,2,6,8,10,13,28H2,1H3,(H,30,34)/t15-,21?/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245438
PNG
((R)-{3-[({2-[3-Amino-4-(2,4,5-trifluorophenyl)buty...)
Show SMILES CCOC(=O)COc1cccc(CNC(=O)C2CC=NN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)c1
Show InChI InChI=1S/C25H27F3N4O5/c1-2-36-24(34)14-37-18-5-3-4-15(8-18)13-30-25(35)22-6-7-31-32(22)23(33)11-17(29)9-16-10-20(27)21(28)12-19(16)26/h3-5,7-8,10,12,17,22H,2,6,9,11,13-14,29H2,1H3,(H,30,35)/t17-,22?/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245406
PNG
((R)-{4-[({2-[3-Amino-4-(2,4,5-trifluorophenyl)buty...)
Show SMILES CCOC(=O)COc1ccc(CNC(=O)C2CC=NN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1
Show InChI InChI=1S/C25H27F3N4O5/c1-2-36-24(34)14-37-18-5-3-15(4-6-18)13-30-25(35)22-7-8-31-32(22)23(33)11-17(29)9-16-10-20(27)21(28)12-19(16)26/h3-6,8,10,12,17,22H,2,7,9,11,13-14,29H2,1H3,(H,30,35)/t17-,22?/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245277
PNG
((R)-2-[3-Amino-4-(2,4,5-trifluorophenyl)butyryl]-3...)
Show SMILES N[C@@H](CC(=O)N1N=CCC1C(=O)Oc1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H18F3N3O3/c21-15-11-17(23)16(22)9-12(15)8-13(24)10-19(27)26-18(6-7-25-26)20(28)29-14-4-2-1-3-5-14/h1-5,7,9,11,13,18H,6,8,10,24H2/t13-,18?/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245556
PNG
((R)-{4-[{2-[3-Amino-4-(2,4,5-trifluorophenyl)butyr...)
Show SMILES CC(C)[C@@H](Oc1ccc(NC(=O)C2CC=NN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O
Show InChI InChI=1S/C25H27F3N4O5/c1-13(2)23(25(35)36)37-17-5-3-16(4-6-17)31-24(34)21-7-8-30-32(21)22(33)11-15(29)9-14-10-19(27)20(28)12-18(14)26/h3-6,8,10,12-13,15,21,23H,7,9,11,29H2,1-2H3,(H,31,34)(H,35,36)/t15-,21?,23-/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245527
PNG
((R)-{4-[({2-[3-Amino-4-(2,4,5-trifluorophenyl)buty...)
Show SMILES N[C@@H](CC(=O)N1N=CCC1C(=O)NCc1ccc(OCC(O)=O)cc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C23H23F3N4O5/c24-17-10-19(26)18(25)8-14(17)7-15(27)9-21(31)30-20(5-6-29-30)23(34)28-11-13-1-3-16(4-2-13)35-12-22(32)33/h1-4,6,8,10,15,20H,5,7,9,11-12,27H2,(H,28,34)(H,32,33)/t15-,20?/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245501
PNG
((R)-{4-[{2-[3-Amino-4-(2,4,5-trifluorophenyl)butyr...)
Show SMILES CCOC(=O)[C@@H](Oc1ccc(NC(=O)C2CC=NN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(C)C
Show InChI InChI=1S/C27H31F3N4O5/c1-4-38-27(37)25(15(2)3)39-19-7-5-18(6-8-19)33-26(36)23-9-10-32-34(23)24(35)13-17(31)11-16-12-21(29)22(30)14-20(16)28/h5-8,10,12,14-15,17,23,25H,4,9,11,13,31H2,1-3H3,(H,33,36)/t17-,23?,25+/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245276
PNG
((R)-2-[3-Amino-4-(2,4,5-trifluorophenyl)butyryl]-3...)
Show SMILES COC(=O)c1ccc(COC(=O)C2CC=NN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1
Show InChI InChI=1S/C23H22F3N3O5/c1-33-22(31)14-4-2-13(3-5-14)12-34-23(32)20-6-7-28-29(20)21(30)10-16(27)8-15-9-18(25)19(26)11-17(15)24/h2-5,7,9,11,16,20H,6,8,10,12,27H2,1H3/t16-,20?/m1/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245555
PNG
((R)-{4-[{2-[3-Amino-4-(2,4,5-trifluorophenyl)butyr...)
Show SMILES CC(C)[C@H](Oc1ccc(NC(=O)C2CC=NN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O
Show InChI InChI=1S/C25H27F3N4O5/c1-13(2)23(25(35)36)37-17-5-3-16(4-6-17)31-24(34)21-7-8-30-32(21)22(33)11-15(29)9-14-10-19(27)20(28)12-18(14)26/h3-6,8,10,12-13,15,21,23H,7,9,11,29H2,1-2H3,(H,31,34)(H,35,36)/t15-,21?,23+/m1/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245528
PNG
((R)-{3-[({2-[3-Amino-4-(2,4,5-trifluorophenyl)buty...)
Show SMILES N[C@@H](CC(=O)N1N=CCC1C(=O)NCc1cccc(OCC(O)=O)c1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C23H23F3N4O5/c24-17-10-19(26)18(25)8-14(17)7-15(27)9-21(31)30-20(4-5-29-30)23(34)28-11-13-2-1-3-16(6-13)35-12-22(32)33/h1-3,5-6,8,10,15,20H,4,7,9,11-12,27H2,(H,28,34)(H,32,33)/t15-,20?/m1/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245357
PNG
((R)-4-[({2-[3-Amino-4-(2,4,5-trifluorophenyl)butyr...)
Show SMILES COC(=O)c1ccc(CNC(=O)C2CC=NN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1
Show InChI InChI=1S/C23H23F3N4O4/c1-34-23(33)14-4-2-13(3-5-14)12-28-22(32)20-6-7-29-30(20)21(31)10-16(27)8-15-9-18(25)19(26)11-17(15)24/h2-5,7,9,11,16,20H,6,8,10,12,27H2,1H3,(H,28,32)/t16-,20?/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245405
PNG
((R)-2-[3-Amino-4-(2,4,5-trifluorophenyl)butyryl]-3...)
Show SMILES N[C@@H](CC(=O)N1N=CCC1C(=O)NCc1ccc(cc1)S(N)(=O)=O)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H22F3N5O4S/c22-16-10-18(24)17(23)8-13(16)7-14(25)9-20(30)29-19(5-6-28-29)21(31)27-11-12-1-3-15(4-2-12)34(26,32)33/h1-4,6,8,10,14,19H,5,7,9,11,25H2,(H,27,31)(H2,26,32,33)/t14-,19?/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245502
PNG
((R)-{4-[{2-[3-Amino-4-(2,4,5-trifluorophenyl)butyr...)
Show SMILES CCOC(=O)[C@H](Oc1ccc(NC(=O)C2CC=NN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(C)C
Show InChI InChI=1S/C27H31F3N4O5/c1-4-38-27(37)25(15(2)3)39-19-7-5-18(6-8-19)33-26(36)23-9-10-32-34(23)24(35)13-17(31)11-16-12-21(29)22(30)14-20(16)28/h5-8,10,12,14-15,17,23,25H,4,9,11,13,31H2,1-3H3,(H,33,36)/t17-,23?,25-/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245403
PNG
((R)-2-[3-Amino-4-(2,4,5-trifluorophenyl)butyryl]-3...)
Show SMILES N[C@@H](CC(=O)N1N=CCC1C(=O)NCc1nc2ccccc2[nH]1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C22H21F3N6O2/c23-14-10-16(25)15(24)8-12(14)7-13(26)9-21(32)31-19(5-6-28-31)22(33)27-11-20-29-17-3-1-2-4-18(17)30-20/h1-4,6,8,10,13,19H,5,7,9,11,26H2,(H,27,33)(H,29,30)/t13-,19?/m1/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245553
PNG
((R)-{3-[{2-[3-Amino-4-(2,4,5-trifluorophenyl)butyr...)
Show SMILES N[C@@H](CC(=O)N1N=CCC1C(=O)Nc1cccc(OCC(O)=O)c1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C22H21F3N4O5/c23-16-10-18(25)17(24)7-12(16)6-13(26)8-20(30)29-19(4-5-27-29)22(33)28-14-2-1-3-15(9-14)34-11-21(31)32/h1-3,5,7,9-10,13,19H,4,6,8,11,26H2,(H,28,33)(H,31,32)/t13-,19?/m1/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245470
PNG
((R)-{2-[{2-[3-Amino-4-(2,4,5-trifluorophenyl)butyr...)
Show SMILES CCOC(=O)COc1ccccc1NC(=O)C1CC=NN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C24H25F3N4O5/c1-2-35-23(33)13-36-21-6-4-3-5-19(21)30-24(34)20-7-8-29-31(20)22(32)11-15(28)9-14-10-17(26)18(27)12-16(14)25/h3-6,8,10,12,15,20H,2,7,9,11,13,28H2,1H3,(H,30,34)/t15-,20?/m1/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245320
PNG
((R)-2-[3-Amino-4-(2,4,5-trifluorophenyl)butyryl]-3...)
Show SMILES N[C@@H](CC(=O)N1N=CCC1C(N)=O)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C14H15F3N4O2/c15-9-6-11(17)10(16)4-7(9)3-8(18)5-13(22)21-12(14(19)23)1-2-20-21/h2,4,6,8,12H,1,3,5,18H2,(H2,19,23)/t8-,12?/m1/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245526
PNG
((R)-4-({2-[3-Amino-4-(2,4,5-trifluorophenyl)butyry...)
Show SMILES N[C@@H](CC(=O)N1N=CCC1C(=O)Nc1ccc(cc1)C(O)=O)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H19F3N4O4/c22-15-10-17(24)16(23)8-12(15)7-13(25)9-19(29)28-18(5-6-26-28)20(30)27-14-3-1-11(2-4-14)21(31)32/h1-4,6,8,10,13,18H,5,7,9,25H2,(H,27,30)(H,31,32)/t13-,18?/m1/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245360
PNG
((R)-2-[3-Amino-4-(2,4,5-trifluorophenyl)butyryl]-3...)
Show SMILES N[C@@H](CC(=O)N1N=CCC1C(=O)NCc1ccccn1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H20F3N5O2/c21-15-10-17(23)16(22)8-12(15)7-13(24)9-19(29)28-18(4-6-27-28)20(30)26-11-14-3-1-2-5-25-14/h1-3,5-6,8,10,13,18H,4,7,9,11,24H2,(H,26,30)/t13-,18?/m1/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245554
PNG
((R)-{2-[{2-[3-Amino-4-(2,4,5-trifluorophenyl)butyr...)
Show SMILES N[C@@H](CC(=O)N1N=CCC1C(=O)Nc1ccccc1OCC(O)=O)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C22H21F3N4O5/c23-14-10-16(25)15(24)8-12(14)7-13(26)9-20(30)29-18(5-6-27-29)22(33)28-17-3-1-2-4-19(17)34-11-21(31)32/h1-4,6,8,10,13,18H,5,7,9,11,26H2,(H,28,33)(H,31,32)/t13-,18?/m1/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245441
PNG
((R)-4-({2-[3-Amino-4-(2,4,5-trifluorophenyl)butyry...)
Show SMILES N[C@@H](CC(=O)N1N=CCC1C(=O)Nc1ccc(cc1)S(O)(=O)=O)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H19F3N4O5S/c21-15-10-17(23)16(22)8-11(15)7-12(24)9-19(28)27-18(5-6-25-27)20(29)26-13-1-3-14(4-2-13)33(30,31)32/h1-4,6,8,10,12,18H,5,7,9,24H2,(H,26,29)(H,30,31,32)/t12-,18?/m1/s1
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Article
PubMed
n/an/a 8.90E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50245440
PNG
((R)-2-[3-Amino-4-(2,4,5-trifluorophenyl)butyryl]-3...)
Show SMILES N[C@@H](CC(=O)N1N=CCC1C(=O)Nc1ccc(cc1)S(N)(=O)=O)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H20F3N5O4S/c21-15-10-17(23)16(22)8-11(15)7-12(24)9-19(29)28-18(5-6-26-28)20(30)27-13-1-3-14(4-2-13)33(25,31)32/h1-4,6,8,10,12,18H,5,7,9,24H2,(H,27,30)(H2,25,31,32)/t12-,18?/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 9.10E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins by fluorometry assay


Eur J Med Chem 43: 1889-902 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.029
BindingDB Entry DOI: 10.7270/Q2KP81ZS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%