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PubMed code 25443644

Compile data set for download or QSAR
Found 10 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


(Homo sapiens (Human))		BDBM50035703
PNG
(CHEMBL3343903)
Show SMILES CCOCc1ccc(s1)-c1ccc(s1)-c1cccs1
Show InChI InChI=1S/C15H14OS3/c1-2-16-10-11-5-6-14(18-11)15-8-7-13(19-15)12-4-3-9-17-12/h3-9H,2,10H2,1H3
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n/an/a 510n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC substrate incubated for 20 mins by fluorometry

Bioorg Med Chem 22: 6515-22 (2015)


Article DOI: 10.1016/j.bmc.2014.06.051
BindingDB Entry DOI: 10.7270/Q21Z4611
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50035706
PNG
(CHEMBL3343901)
Show SMILES CC(C)CC(=O)OCCC#Cc1ccc(s1)-c1ccc(COC(=O)CC(C)C)s1
Show InChI InChI=1S/C23H28O4S2/c1-16(2)13-22(24)26-12-6-5-7-18-8-10-20(28-18)21-11-9-19(29-21)15-27-23(25)14-17(3)4/h8-11,16-17H,6,12-15H2,1-4H3
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n/an/a 750n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC substrate incubated for 20 mins by fluorometry

Bioorg Med Chem 22: 6515-22 (2015)


Article DOI: 10.1016/j.bmc.2014.06.051
BindingDB Entry DOI: 10.7270/Q21Z4611
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50035702
PNG
(CHEMBL91933)
Show SMILES O=Cc1ccc(s1)-c1ccc(s1)-c1cccs1
Show InChI InChI=1S/C13H8OS3/c14-8-9-3-4-12(16-9)13-6-5-11(17-13)10-2-1-7-15-10/h1-8H
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n/an/a 890n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC substrate incubated for 20 mins by fluorometry

Bioorg Med Chem 22: 6515-22 (2015)


Article DOI: 10.1016/j.bmc.2014.06.051
BindingDB Entry DOI: 10.7270/Q21Z4611
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50035704
PNG
(CHEMBL3343902)
Show SMILES COCc1ccc(s1)-c1ccc(s1)-c1cccs1
Show InChI InChI=1S/C14H12OS3/c1-15-9-10-4-5-13(17-10)14-7-6-12(18-14)11-3-2-8-16-11/h2-8H,9H2,1H3
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n/an/a 2.39E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC substrate incubated for 20 mins by fluorometry

Bioorg Med Chem 22: 6515-22 (2015)


Article DOI: 10.1016/j.bmc.2014.06.051
BindingDB Entry DOI: 10.7270/Q21Z4611
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50229666
PNG
((2S,3S)-2-((S)-1-((2S,3S)-2-amino-3-methylpentanoy...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(O)=O
Show InChI InChI=1S/C17H31N3O4/c1-5-10(3)13(18)16(22)20-9-7-8-12(20)15(21)19-14(17(23)24)11(4)6-2/h10-14H,5-9,18H2,1-4H3,(H,19,21)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1
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n/an/a 2.53E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC substrate incubated for 20 mins by fluorometry

Bioorg Med Chem 22: 6515-22 (2015)


Article DOI: 10.1016/j.bmc.2014.06.051
BindingDB Entry DOI: 10.7270/Q21Z4611
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50035708
PNG
(CHEMBL3343899)
Show SMILES CC#CC#Cc1ccc(s1)C#CC(O)CO
Show InChI InChI=1S/C13H10O2S/c1-2-3-4-5-12-8-9-13(16-12)7-6-11(15)10-14/h8-9,11,14-15H,10H2,1H3
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n/an/a 2.74E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC substrate incubated for 20 mins by fluorometry

Bioorg Med Chem 22: 6515-22 (2015)


Article DOI: 10.1016/j.bmc.2014.06.051
BindingDB Entry DOI: 10.7270/Q21Z4611
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50035707
PNG
(CHEMBL3343900)
Show SMILES OCC(O)C#Cc1ccc(s1)-c1ccc(CO)s1
Show InChI InChI=1S/C13H12O3S2/c14-7-9(16)1-2-10-3-5-12(17-10)13-6-4-11(8-15)18-13/h3-6,9,14-16H,7-8H2
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n/an/a 2.81E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC substrate incubated for 20 mins by fluorometry

Bioorg Med Chem 22: 6515-22 (2015)


Article DOI: 10.1016/j.bmc.2014.06.051
BindingDB Entry DOI: 10.7270/Q21Z4611
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50035705
PNG
(CHEMBL90170)
Show SMILES OCc1ccc(s1)-c1ccc(s1)-c1cccs1
Show InChI InChI=1S/C13H10OS3/c14-8-9-3-4-12(16-9)13-6-5-11(17-13)10-2-1-7-15-10/h1-7,14H,8H2
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n/an/a 3.35E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC substrate incubated for 20 mins by fluorometry

Bioorg Med Chem 22: 6515-22 (2015)


Article DOI: 10.1016/j.bmc.2014.06.051
BindingDB Entry DOI: 10.7270/Q21Z4611
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50035701
PNG
(CHEMBL3343904)
Show SMILES CC#CC#CC#C\C=C\C=C\C(CCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C20H24O7/c1-2-3-4-5-6-7-8-9-10-11-15(12-13-21)26-20-19(25)18(24)17(23)16(14-22)27-20/h8-11,15-25H,12-14H2,1H3/b9-8+,11-10+/t15?,16-,17-,18+,19-,20-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC substrate incubated for 20 mins by fluorometry

Bioorg Med Chem 22: 6515-22 (2015)


Article DOI: 10.1016/j.bmc.2014.06.051
BindingDB Entry DOI: 10.7270/Q21Z4611
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM50035700
PNG
(CHEMBL3343905)
Show SMILES CC#CC#CC#C\C=C\C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)C=C |r|
Show InChI InChI=1S/C19H22O7/c1-3-5-6-7-8-9-10-11-14(13(21)4-2)25-19-18(24)17(23)16(22)15(12-20)26-19/h4,10-11,13-24H,2,12H2,1H3/b11-10+/t13?,14?,15-,16-,17+,18-,19-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC substrate incubated for 20 mins by fluorometry

Bioorg Med Chem 22: 6515-22 (2015)


Article DOI: 10.1016/j.bmc.2014.06.051
BindingDB Entry DOI: 10.7270/Q21Z4611
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%