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PubMed code 21478015

Compile data set for download or QSAR
Found 6 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))
BDBM50343035
PNG
(4,5,6,7-Tetrachloro-N-{3-[2-(3-trifluoromethylphen...)
Show SMILES FC(F)(F)c1cccc(CCc2cccc(c2)N2C(=O)c3c(C2=O)c(Cl)c(Cl)c(Cl)c3Cl)c1
Show InChI InChI=1S/C23H12Cl4F3NO2/c24-17-15-16(18(25)20(27)19(17)26)22(33)31(21(15)32)14-6-2-4-12(10-14)8-7-11-3-1-5-13(9-11)23(28,29)30/h1-6,9-10H,7-8H2
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Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of DPP4 assessed as p-nitrophenol release after 1 hr


Bioorg Med Chem Lett 21: 3041-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.026
BindingDB Entry DOI: 10.7270/Q2RR1ZKM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50343036
PNG
(4,5,6,7-Tetrachloro-N-{3-[2-(2-trifluoromethylphen...)
Show SMILES FC(F)(F)c1ccccc1CCc1cccc(c1)N1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl
Show InChI InChI=1S/C23H12Cl4F3NO2/c24-17-15-16(18(25)20(27)19(17)26)22(33)31(21(15)32)13-6-3-4-11(10-13)8-9-12-5-1-2-7-14(12)23(28,29)30/h1-7,10H,8-9H2
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PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of DPP4 assessed as p-nitrophenol release after 1 hr


Bioorg Med Chem Lett 21: 3041-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.026
BindingDB Entry DOI: 10.7270/Q2RR1ZKM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50343036
PNG
(4,5,6,7-Tetrachloro-N-{3-[2-(2-trifluoromethylphen...)
Show SMILES FC(F)(F)c1ccccc1CCc1cccc(c1)N1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl
Show InChI InChI=1S/C23H12Cl4F3NO2/c24-17-15-16(18(25)20(27)19(17)26)22(33)31(21(15)32)13-6-3-4-11(10-13)8-9-12-5-1-2-7-14(12)23(28,29)30/h1-7,10H,8-9H2
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n/an/a 1.10E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of DPP8 assessed as p-nitrophenol release after 1 hr


Bioorg Med Chem Lett 21: 3041-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.026
BindingDB Entry DOI: 10.7270/Q2RR1ZKM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50343034
PNG
(4,5,6,7-Tetrachloro-N-{3-[2-(4-trifluoromethylphen...)
Show SMILES FC(F)(F)c1ccc(CCc2cccc(c2)N2C(=O)c3c(C2=O)c(Cl)c(Cl)c(Cl)c3Cl)cc1
Show InChI InChI=1S/C23H12Cl4F3NO2/c24-17-15-16(18(25)20(27)19(17)26)22(33)31(21(15)32)14-3-1-2-12(10-14)5-4-11-6-8-13(9-7-11)23(28,29)30/h1-3,6-10H,4-5H2
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n/an/a 2.10E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of DPP8 assessed as p-nitrophenol release after 1 hr


Bioorg Med Chem Lett 21: 3041-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.026
BindingDB Entry DOI: 10.7270/Q2RR1ZKM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50298687
PNG
(4,5,6,7-Tetrachloro-N-[3-(2-phenylethyl)phenyl]pht...)
Show SMILES Clc1c2C(=O)N(C(=O)c2c(Cl)c(Cl)c1Cl)c1cccc(CCc2ccccc2)c1
Show InChI InChI=1S/C22H13Cl4NO2/c23-17-15-16(18(24)20(26)19(17)25)22(29)27(21(15)28)14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2
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n/an/a 2.10E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of DPP8 assessed as p-nitrophenol release after 1 hr


Bioorg Med Chem Lett 21: 3041-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.026
BindingDB Entry DOI: 10.7270/Q2RR1ZKM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50343035
PNG
(4,5,6,7-Tetrachloro-N-{3-[2-(3-trifluoromethylphen...)
Show SMILES FC(F)(F)c1cccc(CCc2cccc(c2)N2C(=O)c3c(C2=O)c(Cl)c(Cl)c(Cl)c3Cl)c1
Show InChI InChI=1S/C23H12Cl4F3NO2/c24-17-15-16(18(25)20(27)19(17)26)22(33)31(21(15)32)14-6-2-4-12(10-14)8-7-11-3-1-5-13(9-11)23(28,29)30/h1-6,9-10H,7-8H2
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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of DPP8 assessed as p-nitrophenol release after 1 hr


Bioorg Med Chem Lett 21: 3041-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.026
BindingDB Entry DOI: 10.7270/Q2RR1ZKM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%