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PubMed code 26032047

Compile data set for download or QSAR
Found 15 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 (DDP-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
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 11n/an/an/an/an/an/a



Cairo University



Assay Description
A 200-無 reaction system containing DPP-IV (Sigma), a test compound, and 25 mmol/L HEPES buffer (containing 140 mmol/L NaCl, 1% BSA, and 80 mmol/L Mg...


Chem Biol Drug Des 86: 1292-303 (2015)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2M32THN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase-IV (DDP-4)


(Homo sapiens (Human))
BDBM167935
PNG
(1,5-Dimethyl-2-phenyl-4-(6-(phenylsulfonyl)tetrazo...)
Show SMILES Cc1c(-c2c(cnc3nnnn23)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C21H17N7O3S/c1-14-18(20(29)28(26(14)2)15-9-5-3-6-10-15)19-17(13-22-21-23-24-25-27(19)21)32(30,31)16-11-7-4-8-12-16/h3-13H,1-2H3
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n/an/a 14n/an/an/an/an/an/a



Cairo University



Assay Description
A 200-無 reaction system containing DPP-IV (Sigma), a test compound, and 25 mmol/L HEPES buffer (containing 140 mmol/L NaCl, 1% BSA, and 80 mmol/L Mg...


Chem Biol Drug Des 86: 1292-303 (2015)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2M32THN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase-IV (DDP-4)


(Homo sapiens (Human))
BDBM167938
PNG
(1',5'-Dimethyl-2'-phenyl-5-(phenylsulf...)
Show SMILES Cc1c(-c2cc(n[nH]2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C20H18N4O3S/c1-14-19(20(25)24(23(14)2)15-9-5-3-6-10-15)17-13-18(22-21-17)28(26,27)16-11-7-4-8-12-16/h3-13H,1-2H3,(H,21,22)
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n/an/a 15n/an/an/an/an/an/a



Cairo University



Assay Description
A 200-無 reaction system containing DPP-IV (Sigma), a test compound, and 25 mmol/L HEPES buffer (containing 140 mmol/L NaCl, 1% BSA, and 80 mmol/L Mg...


Chem Biol Drug Des 86: 1292-303 (2015)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2M32THN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase-IV (DDP-4)


(Homo sapiens (Human))
BDBM167944
PNG
(1,5-Dimethyl-4-(3-methyl-1-phenyl-5-(phenylsulfony...)
Show SMILES Cc1nn(-c2ccccc2)c2nc(-c3c(C)n(C)n(-c4ccccc4)c3=O)c(cc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H25N5O3S/c1-20-25-19-26(39(37,38)24-17-11-6-12-18-24)28(31-29(25)34(32-20)22-13-7-4-8-14-22)27-21(2)33(3)35(30(27)36)23-15-9-5-10-16-23/h4-19H,1-3H3
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Cairo University



Assay Description
A 200-無 reaction system containing DPP-IV (Sigma), a test compound, and 25 mmol/L HEPES buffer (containing 140 mmol/L NaCl, 1% BSA, and 80 mmol/L Mg...


Chem Biol Drug Des 86: 1292-303 (2015)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2M32THN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase-IV (DDP-4)


(Homo sapiens (Human))
BDBM167943
PNG
(3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1Hpyraz...)
Show SMILES Cc1c(-c2c(C#N)c3nc4ccccc4n3cc2S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C29H21N5O3S/c1-19-26(29(35)34(32(19)2)20-11-5-3-6-12-20)27-22(17-30)28-31-23-15-9-10-16-24(23)33(28)18-25(27)38(36,37)21-13-7-4-8-14-21/h3-16,18H,1-2H3
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Cairo University



Assay Description
A 200-無 reaction system containing DPP-IV (Sigma), a test compound, and 25 mmol/L HEPES buffer (containing 140 mmol/L NaCl, 1% BSA, and 80 mmol/L Mg...


Chem Biol Drug Des 86: 1292-303 (2015)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2M32THN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase-IV (DDP-4)


(Homo sapiens (Human))
BDBM167936
PNG
(1,5-Dimethyl-2-phenyl-4-(3-(phenylsulfonyl)benzo[4...)
Show SMILES Cc1c(-c2c(cnc3nc4ccccc4n23)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C27H21N5O3S/c1-18-24(26(33)32(30(18)2)19-11-5-3-6-12-19)25-23(36(34,35)20-13-7-4-8-14-20)17-28-27-29-21-15-9-10-16-22(21)31(25)27/h3-17H,1-2H3
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n/an/a 73n/an/an/an/an/an/a



Cairo University



Assay Description
A 200-無 reaction system containing DPP-IV (Sigma), a test compound, and 25 mmol/L HEPES buffer (containing 140 mmol/L NaCl, 1% BSA, and 80 mmol/L Mg...


Chem Biol Drug Des 86: 1292-303 (2015)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2M32THN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase-IV (DDP-4)


(Homo sapiens (Human))
BDBM167932
PNG
(1,5-Dimethyl-2-phenyl-4-(6-(phenylsulfonyl)-[1,2,4...)
Show SMILES Cc1c(-c2c(cnc3ncnn23)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C22H18N6O3S/c1-15-19(21(29)28(26(15)2)16-9-5-3-6-10-16)20-18(13-23-22-24-14-25-27(20)22)32(30,31)17-11-7-4-8-12-17/h3-14H,1-2H3
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n/an/a 107n/an/an/an/an/an/a



Cairo University



Assay Description
A 200-無 reaction system containing DPP-IV (Sigma), a test compound, and 25 mmol/L HEPES buffer (containing 140 mmol/L NaCl, 1% BSA, and 80 mmol/L Mg...


Chem Biol Drug Des 86: 1292-303 (2015)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2M32THN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase-IV (DDP-4)


(Homo sapiens (Human))
BDBM167933
PNG
(7-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyra...)
Show SMILES Cc1c(-c2c(cnc3c(cnn23)C#N)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C24H18N6O3S/c1-16-21(24(31)30(28(16)2)18-9-5-3-6-10-18)22-20(34(32,33)19-11-7-4-8-12-19)15-26-23-17(13-25)14-27-29(22)23/h3-12,14-15H,1-2H3
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n/an/a 112n/an/an/an/an/an/a



Cairo University



Assay Description
A 200-無 reaction system containing DPP-IV (Sigma), a test compound, and 25 mmol/L HEPES buffer (containing 140 mmol/L NaCl, 1% BSA, and 80 mmol/L Mg...


Chem Biol Drug Des 86: 1292-303 (2015)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2M32THN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase-IV (DDP-4)


(Homo sapiens (Human))
BDBM167934
PNG
(1,5-Dimethyl-2-phenyl-4-(2-phenyl-6-(phenylsulfony...)
Show SMILES Cc1c(-c2c(cnc3cc(nn23)-c2ccccc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C29H23N5O3S/c1-20-27(29(35)34(32(20)2)22-14-8-4-9-15-22)28-25(38(36,37)23-16-10-5-11-17-23)19-30-26-18-24(31-33(26)28)21-12-6-3-7-13-21/h3-19H,1-2H3
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n/an/a 313n/an/an/an/an/an/a



Cairo University



Assay Description
A 200-無 reaction system containing DPP-IV (Sigma), a test compound, and 25 mmol/L HEPES buffer (containing 140 mmol/L NaCl, 1% BSA, and 80 mmol/L Mg...


Chem Biol Drug Des 86: 1292-303 (2015)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2M32THN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase-IV (DDP-4)


(Homo sapiens (Human))
BDBM167939
PNG
(1',5'-Dimethyl-2,2'-diphenyl-5-(phenyl...)
Show SMILES Cc1c(-c2cc(nn2-c2ccccc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C26H22N4O3S/c1-19-25(26(31)30(28(19)2)21-14-8-4-9-15-21)23-18-24(27-29(23)20-12-6-3-7-13-20)34(32,33)22-16-10-5-11-17-22/h3-18H,1-2H3
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n/an/a 1.64E+3n/an/an/an/an/an/a



Cairo University



Assay Description
A 200-無 reaction system containing DPP-IV (Sigma), a test compound, and 25 mmol/L HEPES buffer (containing 140 mmol/L NaCl, 1% BSA, and 80 mmol/L Mg...


Chem Biol Drug Des 86: 1292-303 (2015)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2M32THN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase-IV (DDP-4)


(Homo sapiens (Human))
BDBM167931
PNG
(1,5-dimethyl-2-phenyl-4-(2-(phenylsulfonyl)acetyl)...)
Show SMILES Cc1c(C(=O)CS(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C19H18N2O4S/c1-14-18(17(22)13-26(24,25)16-11-7-4-8-12-16)19(23)21(20(14)2)15-9-5-3-6-10-15/h3-12H,13H2,1-2H3
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Assay Description
A 200-無 reaction system containing DPP-IV (Sigma), a test compound, and 25 mmol/L HEPES buffer (containing 140 mmol/L NaCl, 1% BSA, and 80 mmol/L Mg...


Chem Biol Drug Des 86: 1292-303 (2015)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2M32THN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase-IV (DDP-4)


(Homo sapiens (Human))
BDBM167937
PNG
(4-(8,10-Dimethyl-3-(phenylsulfonyl)pyrido[2',3...)
Show SMILES Cc1c(-c2c(cnc3c4c(C)cc(C)nc4nn23)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C28H24N6O3S/c1-17-15-18(2)30-26-23(17)27-29-16-22(38(36,37)21-13-9-6-10-14-21)25(33(27)31-26)24-19(3)32(4)34(28(24)35)20-11-7-5-8-12-20/h5-16H,1-4H3
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n/an/a 1.45E+4n/an/an/an/an/an/a



Cairo University



Assay Description
A 200-無 reaction system containing DPP-IV (Sigma), a test compound, and 25 mmol/L HEPES buffer (containing 140 mmol/L NaCl, 1% BSA, and 80 mmol/L Mg...


Chem Biol Drug Des 86: 1292-303 (2015)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2M32THN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase-IV (DDP-4)


(Homo sapiens (Human))
BDBM167940
PNG
(6-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1Hpyraz...)
Show SMILES Cc1c(-c2[nH]c(=O)c(cc2S(=O)(=O)c2ccccc2)C#N)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C23H18N4O4S/c1-15-20(23(29)27(26(15)2)17-9-5-3-6-10-17)21-19(13-16(14-24)22(28)25-21)32(30,31)18-11-7-4-8-12-18/h3-13H,1-2H3,(H,25,28)
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n/an/a 1.73E+4n/an/an/an/an/an/a



Cairo University



Assay Description
A 200-無 reaction system containing DPP-IV (Sigma), a test compound, and 25 mmol/L HEPES buffer (containing 140 mmol/L NaCl, 1% BSA, and 80 mmol/L Mg...


Chem Biol Drug Des 86: 1292-303 (2015)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2M32THN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase-IV (DDP-4)


(Homo sapiens (Human))
BDBM167941
PNG
(Ethyl 6-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1...)
Show SMILES CCOC(=O)c1cc(c(nc1C)-c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H25N3O5S/c1-5-34-26(31)21-16-22(35(32,33)20-14-10-7-11-15-20)24(27-17(21)2)23-18(3)28(4)29(25(23)30)19-12-8-6-9-13-19/h6-16H,5H2,1-4H3
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n/an/a 1.76E+4n/an/an/an/an/an/a



Cairo University



Assay Description
A 200-無 reaction system containing DPP-IV (Sigma), a test compound, and 25 mmol/L HEPES buffer (containing 140 mmol/L NaCl, 1% BSA, and 80 mmol/L Mg...


Chem Biol Drug Des 86: 1292-303 (2015)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2M32THN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase-IV (DDP-4)


(Homo sapiens (Human))
BDBM167942
PNG
(Ethyl 6-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1...)
Show SMILES CCOC(=O)c1cc(c(nc1-c1ccccc1)-c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C31H27N3O5S/c1-4-39-31(36)25-20-26(40(37,38)24-18-12-7-13-19-24)29(32-28(25)22-14-8-5-9-15-22)27-21(2)33(3)34(30(27)35)23-16-10-6-11-17-23/h5-20H,4H2,1-3H3
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n/an/a 1.83E+4n/an/an/an/an/an/a



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Assay Description
A 200-無 reaction system containing DPP-IV (Sigma), a test compound, and 25 mmol/L HEPES buffer (containing 140 mmol/L NaCl, 1% BSA, and 80 mmol/L Mg...


Chem Biol Drug Des 86: 1292-303 (2015)


Article DOI: 10.1111/cbdd.12593
BindingDB Entry DOI: 10.7270/Q2M32THN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%