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PubMed code 26426933

Compile data set for download or QSAR
Found 12 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 [K6R,T557I]


(Homo sapiens (Human))
BDBM170166
PNG
((R)-40)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-c3ccccc3C#N)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H](-[#7])-[#6]-1 |r|
Show InChI InChI=1S/C24H29N7O2/c1-16(2)10-12-30-20-21(27-23(30)29-11-6-9-19(26)15-29)28(3)24(33)31(22(20)32)14-18-8-5-4-7-17(18)13-25/h4-5,7-8,10,19H,6,9,11-12,14-15,26H2,1-3H3/t19-/m1/s1
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n/an/a 23.5n/an/an/an/an/an/a



West China Hospital



Assay Description
DPP-IV inhibition was measured by DPP-IV inhibitor screening assay kit (Cayman Chemical Company, Item No. 700210) following the manufacturer's in...


Chem Biol Drug Des 87: 290-5 (2016)


Article DOI: 10.1111/cbdd.12663
BindingDB Entry DOI: 10.7270/Q2NV9H16
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 [K6R,T557I]


(Homo sapiens (Human))
BDBM170168
PNG
((R)-43)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-c3nc4ccccc4s3)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H](-[#7])-[#6]-1 |r|
Show InChI InChI=1S/C24H29N7O2S/c1-15(2)10-12-30-20-21(27-23(30)29-11-6-7-16(25)13-29)28(3)24(33)31(22(20)32)14-19-26-17-8-4-5-9-18(17)34-19/h4-5,8-10,16H,6-7,11-14,25H2,1-3H3/t16-/m1/s1
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n/an/a 36.2n/an/an/an/an/an/a



West China Hospital



Assay Description
DPP-IV inhibition was measured by DPP-IV inhibitor screening assay kit (Cayman Chemical Company, Item No. 700210) following the manufacturer's in...


Chem Biol Drug Des 87: 290-5 (2016)


Article DOI: 10.1111/cbdd.12663
BindingDB Entry DOI: 10.7270/Q2NV9H16
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 [K6R,T557I]


(Homo sapiens (Human))
BDBM170169
PNG
((S)-43)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-c3nc4ccccc4s3)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-1 |r|
Show InChI InChI=1S/C24H29N7O2S/c1-15(2)10-12-30-20-21(27-23(30)29-11-6-7-16(25)13-29)28(3)24(33)31(22(20)32)14-19-26-17-8-4-5-9-18(17)34-19/h4-5,8-10,16H,6-7,11-14,25H2,1-3H3/t16-/m0/s1
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n/an/a 36.9n/an/an/an/an/an/a



West China Hospital



Assay Description
DPP-IV inhibition was measured by DPP-IV inhibitor screening assay kit (Cayman Chemical Company, Item No. 700210) following the manufacturer's in...


Chem Biol Drug Des 87: 290-5 (2016)


Article DOI: 10.1111/cbdd.12663
BindingDB Entry DOI: 10.7270/Q2NV9H16
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 [K6R,T557I]


(Homo sapiens (Human))
BDBM170167
PNG
((S)-40)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-c3ccccc3C#N)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-1 |r|
Show InChI InChI=1S/C24H29N7O2/c1-16(2)10-12-30-20-21(27-23(30)29-11-6-9-19(26)15-29)28(3)24(33)31(22(20)32)14-18-8-5-4-7-17(18)13-25/h4-5,7-8,10,19H,6,9,11-12,14-15,26H2,1-3H3/t19-/m0/s1
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n/an/a 108n/an/an/an/an/an/a



West China Hospital



Assay Description
DPP-IV inhibition was measured by DPP-IV inhibitor screening assay kit (Cayman Chemical Company, Item No. 700210) following the manufacturer's in...


Chem Biol Drug Des 87: 290-5 (2016)


Article DOI: 10.1111/cbdd.12663
BindingDB Entry DOI: 10.7270/Q2NV9H16
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM170169
PNG
((S)-43)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-c3nc4ccccc4s3)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-1 |r|
Show InChI InChI=1S/C24H29N7O2S/c1-15(2)10-12-30-20-21(27-23(30)29-11-6-7-16(25)13-29)28(3)24(33)31(22(20)32)14-19-26-17-8-4-5-9-18(17)34-19/h4-5,8-10,16H,6-7,11-14,25H2,1-3H3/t16-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



West China Hospital



Assay Description
DPP-IV inhibition was measured by DPP-IV inhibitor screening assay kit (Cayman Chemical Company, Item No. 700210) following the manufacturer's in...


Chem Biol Drug Des 87: 290-5 (2016)


Article DOI: 10.1111/cbdd.12663
BindingDB Entry DOI: 10.7270/Q2NV9H16
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM170168
PNG
((R)-43)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-c3nc4ccccc4s3)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H](-[#7])-[#6]-1 |r|
Show InChI InChI=1S/C24H29N7O2S/c1-15(2)10-12-30-20-21(27-23(30)29-11-6-7-16(25)13-29)28(3)24(33)31(22(20)32)14-19-26-17-8-4-5-9-18(17)34-19/h4-5,8-10,16H,6-7,11-14,25H2,1-3H3/t16-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



West China Hospital



Assay Description
DPP-IV inhibition was measured by DPP-IV inhibitor screening assay kit (Cayman Chemical Company, Item No. 700210) following the manufacturer's in...


Chem Biol Drug Des 87: 290-5 (2016)


Article DOI: 10.1111/cbdd.12663
BindingDB Entry DOI: 10.7270/Q2NV9H16
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM170167
PNG
((S)-40)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-c3ccccc3C#N)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-1 |r|
Show InChI InChI=1S/C24H29N7O2/c1-16(2)10-12-30-20-21(27-23(30)29-11-6-9-19(26)15-29)28(3)24(33)31(22(20)32)14-18-8-5-4-7-17(18)13-25/h4-5,7-8,10,19H,6,9,11-12,14-15,26H2,1-3H3/t19-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



West China Hospital



Assay Description
DPP-IV inhibition was measured by DPP-IV inhibitor screening assay kit (Cayman Chemical Company, Item No. 700210) following the manufacturer's in...


Chem Biol Drug Des 87: 290-5 (2016)


Article DOI: 10.1111/cbdd.12663
BindingDB Entry DOI: 10.7270/Q2NV9H16
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM170167
PNG
((S)-40)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-c3ccccc3C#N)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-1 |r|
Show InChI InChI=1S/C24H29N7O2/c1-16(2)10-12-30-20-21(27-23(30)29-11-6-9-19(26)15-29)28(3)24(33)31(22(20)32)14-18-8-5-4-7-17(18)13-25/h4-5,7-8,10,19H,6,9,11-12,14-15,26H2,1-3H3/t19-/m0/s1
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West China Hospital



Assay Description
DPP-IV inhibition was measured by DPP-IV inhibitor screening assay kit (Cayman Chemical Company, Item No. 700210) following the manufacturer's in...


Chem Biol Drug Des 87: 290-5 (2016)


Article DOI: 10.1111/cbdd.12663
BindingDB Entry DOI: 10.7270/Q2NV9H16
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM170168
PNG
((R)-43)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-c3nc4ccccc4s3)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H](-[#7])-[#6]-1 |r|
Show InChI InChI=1S/C24H29N7O2S/c1-15(2)10-12-30-20-21(27-23(30)29-11-6-7-16(25)13-29)28(3)24(33)31(22(20)32)14-19-26-17-8-4-5-9-18(17)34-19/h4-5,8-10,16H,6-7,11-14,25H2,1-3H3/t16-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



West China Hospital



Assay Description
DPP-IV inhibition was measured by DPP-IV inhibitor screening assay kit (Cayman Chemical Company, Item No. 700210) following the manufacturer's in...


Chem Biol Drug Des 87: 290-5 (2016)


Article DOI: 10.1111/cbdd.12663
BindingDB Entry DOI: 10.7270/Q2NV9H16
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM170166
PNG
((R)-40)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-c3ccccc3C#N)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H](-[#7])-[#6]-1 |r|
Show InChI InChI=1S/C24H29N7O2/c1-16(2)10-12-30-20-21(27-23(30)29-11-6-9-19(26)15-29)28(3)24(33)31(22(20)32)14-18-8-5-4-7-17(18)13-25/h4-5,7-8,10,19H,6,9,11-12,14-15,26H2,1-3H3/t19-/m1/s1
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West China Hospital



Assay Description
DPP-IV inhibition was measured by DPP-IV inhibitor screening assay kit (Cayman Chemical Company, Item No. 700210) following the manufacturer's in...


Chem Biol Drug Des 87: 290-5 (2016)


Article DOI: 10.1111/cbdd.12663
BindingDB Entry DOI: 10.7270/Q2NV9H16
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM170166
PNG
((R)-40)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-c3ccccc3C#N)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H](-[#7])-[#6]-1 |r|
Show InChI InChI=1S/C24H29N7O2/c1-16(2)10-12-30-20-21(27-23(30)29-11-6-9-19(26)15-29)28(3)24(33)31(22(20)32)14-18-8-5-4-7-17(18)13-25/h4-5,7-8,10,19H,6,9,11-12,14-15,26H2,1-3H3/t19-/m1/s1
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West China Hospital



Assay Description
DPP-IV inhibition was measured by DPP-IV inhibitor screening assay kit (Cayman Chemical Company, Item No. 700210) following the manufacturer's in...


Chem Biol Drug Des 87: 290-5 (2016)


Article DOI: 10.1111/cbdd.12663
BindingDB Entry DOI: 10.7270/Q2NV9H16
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM170169
PNG
((S)-43)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-c3nc4ccccc4s3)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-1 |r|
Show InChI InChI=1S/C24H29N7O2S/c1-15(2)10-12-30-20-21(27-23(30)29-11-6-7-16(25)13-29)28(3)24(33)31(22(20)32)14-19-26-17-8-4-5-9-18(17)34-19/h4-5,8-10,16H,6-7,11-14,25H2,1-3H3/t16-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



West China Hospital



Assay Description
DPP-IV inhibition was measured by DPP-IV inhibitor screening assay kit (Cayman Chemical Company, Item No. 700210) following the manufacturer's in...


Chem Biol Drug Des 87: 290-5 (2016)


Article DOI: 10.1111/cbdd.12663
BindingDB Entry DOI: 10.7270/Q2NV9H16
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%