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PubMed code 21741847

Compile data set for download or QSAR
Found 20 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))
BDBM50336806
PNG
(1-(3-(aminomethyl)-2-isobutyl-4-p-tolylquinolin-6-...)
Show SMILES CC(C)Cc1nc2ccc(cc2c(-c2ccc(C)cc2)c1CN)N1CC(=O)NCC1=O
Show InChI InChI=1S/C25H28N4O2/c1-15(2)10-22-20(12-26)25(17-6-4-16(3)5-7-17)19-11-18(8-9-21(19)28-22)29-14-23(30)27-13-24(29)31/h4-9,11,15H,10,12-14,26H2,1-3H3,(H,27,30)
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n/an/a 1.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis


Bioorg Med Chem 19: 4482-98 (2011)


Article DOI: 10.1016/j.bmc.2011.06.032
BindingDB Entry DOI: 10.7270/Q2P26ZGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50349380
PNG
(CHEMBL1808468)
Show SMILES CC(C)Cc1nc2ccc(\C=C\C(N)=O)cc2c(-c2ccc(C)cc2)c1CN
Show InChI InChI=1S/C24H27N3O/c1-15(2)12-22-20(14-25)24(18-8-4-16(3)5-9-18)19-13-17(7-11-23(26)28)6-10-21(19)27-22/h4-11,13,15H,12,14,25H2,1-3H3,(H2,26,28)/b11-7+
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n/an/a 1.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis


Bioorg Med Chem 19: 4482-98 (2011)


Article DOI: 10.1016/j.bmc.2011.06.032
BindingDB Entry DOI: 10.7270/Q2P26ZGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50349384
PNG
(CHEMBL1808473)
Show SMILES CC(C)Cc1nc2ccc(cc2c(-c2ccc(C)cc2)c1CN)N1CCNC(=O)C1
Show InChI InChI=1S/C25H30N4O/c1-16(2)12-23-21(14-26)25(18-6-4-17(3)5-7-18)20-13-19(8-9-22(20)28-23)29-11-10-27-24(30)15-29/h4-9,13,16H,10-12,14-15,26H2,1-3H3,(H,27,30)
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n/an/a 2.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis


Bioorg Med Chem 19: 4482-98 (2011)


Article DOI: 10.1016/j.bmc.2011.06.032
BindingDB Entry DOI: 10.7270/Q2P26ZGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50349385
PNG
(CHEMBL1808474)
Show SMILES CC(C)Cc1nc2ccc(cc2c(-c2ccc(C)cc2)c1CN)N1CCNC(=O)C1=O
Show InChI InChI=1S/C25H28N4O2/c1-15(2)12-22-20(14-26)23(17-6-4-16(3)5-7-17)19-13-18(8-9-21(19)28-22)29-11-10-27-24(30)25(29)31/h4-9,13,15H,10-12,14,26H2,1-3H3,(H,27,30)
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n/an/a 2.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis


Bioorg Med Chem 19: 4482-98 (2011)


Article DOI: 10.1016/j.bmc.2011.06.032
BindingDB Entry DOI: 10.7270/Q2P26ZGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50349376
PNG
(CHEMBL1808464)
Show SMILES CC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2ccc(C)cc2)c1CN
Show InChI InChI=1S/C23H27N3O2/c1-14(2)10-21-19(12-24)23(16-6-4-15(3)5-7-16)18-11-17(28-13-22(25)27)8-9-20(18)26-21/h4-9,11,14H,10,12-13,24H2,1-3H3,(H2,25,27)
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n/an/a 4.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis


Bioorg Med Chem 19: 4482-98 (2011)


Article DOI: 10.1016/j.bmc.2011.06.032
BindingDB Entry DOI: 10.7270/Q2P26ZGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50349379
PNG
(CHEMBL1808467)
Show SMILES CC(C)Cc1nc2ccc(CCC(N)=O)cc2c(-c2ccc(C)cc2)c1CN
Show InChI InChI=1S/C24H29N3O/c1-15(2)12-22-20(14-25)24(18-8-4-16(3)5-9-18)19-13-17(7-11-23(26)28)6-10-21(19)27-22/h4-6,8-10,13,15H,7,11-12,14,25H2,1-3H3,(H2,26,28)
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n/an/a 7.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis


Bioorg Med Chem 19: 4482-98 (2011)


Article DOI: 10.1016/j.bmc.2011.06.032
BindingDB Entry DOI: 10.7270/Q2P26ZGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50349388
PNG
(CHEMBL1808471)
Show SMILES CC(C)Cc1nc2ccc(cc2c(-c2ccc(C)cc2)c1CN)-c1nnn[nH]1
Show InChI InChI=1S/C22H24N6/c1-13(2)10-20-18(12-23)21(15-6-4-14(3)5-7-15)17-11-16(8-9-19(17)24-20)22-25-27-28-26-22/h4-9,11,13H,10,12,23H2,1-3H3,(H,25,26,27,28)
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n/an/a 9.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis


Bioorg Med Chem 19: 4482-98 (2011)


Article DOI: 10.1016/j.bmc.2011.06.032
BindingDB Entry DOI: 10.7270/Q2P26ZGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50349383
PNG
(CHEMBL1808472)
Show SMILES CC(C)Cc1nc2ccc(cc2c(-c2ccc(C)cc2)c1CN)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C23H24N4O2/c1-13(2)10-20-18(12-24)21(15-6-4-14(3)5-7-15)17-11-16(8-9-19(17)25-20)22-26-23(28)29-27-22/h4-9,11,13H,10,12,24H2,1-3H3,(H,26,27,28)
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n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis


Bioorg Med Chem 19: 4482-98 (2011)


Article DOI: 10.1016/j.bmc.2011.06.032
BindingDB Entry DOI: 10.7270/Q2P26ZGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50349375
PNG
(CHEMBL1808463)
Show SMILES CC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2ccc(F)cc2)c1CN
Show InChI InChI=1S/C22H24FN3O2/c1-13(2)9-20-18(11-24)22(14-3-5-15(23)6-4-14)17-10-16(28-12-21(25)27)7-8-19(17)26-20/h3-8,10,13H,9,11-12,24H2,1-2H3,(H2,25,27)
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n/an/a 26n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis


Bioorg Med Chem 19: 4482-98 (2011)


Article DOI: 10.1016/j.bmc.2011.06.032
BindingDB Entry DOI: 10.7270/Q2P26ZGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50349373
PNG
(CHEMBL1809262)
Show SMILES CC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN
Show InChI InChI=1S/C22H25N3O2/c1-14(2)10-20-18(12-23)22(15-6-4-3-5-7-15)17-11-16(27-13-21(24)26)8-9-19(17)25-20/h3-9,11,14H,10,12-13,23H2,1-2H3,(H2,24,26)
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n/an/a 34n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis


Bioorg Med Chem 19: 4482-98 (2011)


Article DOI: 10.1016/j.bmc.2011.06.032
BindingDB Entry DOI: 10.7270/Q2P26ZGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM123780
PNG
(2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4- ph...)
Show SMILES CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(OCC(N)=O)ccc2c1=O
Show InChI InChI=1S/C22H25N3O3/c1-14(2)12-25-19(11-23)21(15-6-4-3-5-7-15)18-10-16(28-13-20(24)26)8-9-17(18)22(25)27/h3-10,14H,11-13,23H2,1-2H3,(H2,24,26)
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n/an/a 47n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis


Bioorg Med Chem 19: 4482-98 (2011)


Article DOI: 10.1016/j.bmc.2011.06.032
BindingDB Entry DOI: 10.7270/Q2P26ZGN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50349387
PNG
(CHEMBL1809263)
Show SMILES CC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2cccc(F)c2)c1CN
Show InChI InChI=1S/C22H24FN3O2/c1-13(2)8-20-18(11-24)22(14-4-3-5-15(23)9-14)17-10-16(28-12-21(25)27)6-7-19(17)26-20/h3-7,9-10,13H,8,11-12,24H2,1-2H3,(H2,25,27)
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n/an/a 49n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis


Bioorg Med Chem 19: 4482-98 (2011)


Article DOI: 10.1016/j.bmc.2011.06.032
BindingDB Entry DOI: 10.7270/Q2P26ZGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50349378
PNG
(CHEMBL1808466)
Show SMILES CNC(=O)COc1ccc2nc(CC(C)C)c(CN)c(-c3ccc(C)cc3)c2c1
Show InChI InChI=1S/C24H29N3O2/c1-15(2)11-22-20(13-25)24(17-7-5-16(3)6-8-17)19-12-18(9-10-21(19)27-22)29-14-23(28)26-4/h5-10,12,15H,11,13-14,25H2,1-4H3,(H,26,28)
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n/an/a 52n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis


Bioorg Med Chem 19: 4482-98 (2011)


Article DOI: 10.1016/j.bmc.2011.06.032
BindingDB Entry DOI: 10.7270/Q2P26ZGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50349381
PNG
(CHEMBL1808469)
Show SMILES CC(C)Cc1nc2ccc(cc2c(-c2ccc(C)cc2)c1CN)C(N)=O
Show InChI InChI=1S/C22H25N3O/c1-13(2)10-20-18(12-23)21(15-6-4-14(3)5-7-15)17-11-16(22(24)26)8-9-19(17)25-20/h4-9,11,13H,10,12,23H2,1-3H3,(H2,24,26)
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n/an/a 55n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis


Bioorg Med Chem 19: 4482-98 (2011)


Article DOI: 10.1016/j.bmc.2011.06.032
BindingDB Entry DOI: 10.7270/Q2P26ZGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50349374
PNG
(CHEMBL1809264)
Show SMILES CC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2cccc(C)c2)c1CN
Show InChI InChI=1S/C23H27N3O2/c1-14(2)9-21-19(12-24)23(16-6-4-5-15(3)10-16)18-11-17(28-13-22(25)27)7-8-20(18)26-21/h4-8,10-11,14H,9,12-13,24H2,1-3H3,(H2,25,27)
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n/an/a 57n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis


Bioorg Med Chem 19: 4482-98 (2011)


Article DOI: 10.1016/j.bmc.2011.06.032
BindingDB Entry DOI: 10.7270/Q2P26ZGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50349377
PNG
(CHEMBL1808465)
Show SMILES COC(=O)COc1ccc2nc(CC(C)C)c(CN)c(-c3ccc(C)cc3)c2c1
Show InChI InChI=1S/C24H28N2O3/c1-15(2)11-22-20(13-25)24(17-7-5-16(3)6-8-17)19-12-18(9-10-21(19)26-22)29-14-23(27)28-4/h5-10,12,15H,11,13-14,25H2,1-4H3
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n/an/a 84n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis


Bioorg Med Chem 19: 4482-98 (2011)


Article DOI: 10.1016/j.bmc.2011.06.032
BindingDB Entry DOI: 10.7270/Q2P26ZGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50349382
PNG
(CHEMBL1808470)
Show SMILES CC(C)Cc1nc2ccc(cc2c(-c2ccc(C)cc2)c1CN)C(O)=O
Show InChI InChI=1S/C22H24N2O2/c1-13(2)10-20-18(12-23)21(15-6-4-14(3)5-7-15)17-11-16(22(25)26)8-9-19(17)24-20/h4-9,11,13H,10,12,23H2,1-3H3,(H,25,26)
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n/an/a 100n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis


Bioorg Med Chem 19: 4482-98 (2011)


Article DOI: 10.1016/j.bmc.2011.06.032
BindingDB Entry DOI: 10.7270/Q2P26ZGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase II


(Rattus norvegicus)
BDBM50336806
PNG
(1-(3-(aminomethyl)-2-isobutyl-4-p-tolylquinolin-6-...)
Show SMILES CC(C)Cc1nc2ccc(cc2c(-c2ccc(C)cc2)c1CN)N1CC(=O)NCC1=O
Show InChI InChI=1S/C25H28N4O2/c1-15(2)10-22-20(12-26)25(17-6-4-16(3)5-7-17)19-11-18(8-9-21(19)28-22)29-14-23(30)27-13-24(29)31/h4-9,11,15H,10,12-14,26H2,1-3H3,(H,27,30)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of rat kidney Dipeptidyl peptidase-2 using H-Lys-Ala-pNA.2HCl as substrate after 60 mins by microplate reader analysis


Bioorg Med Chem 19: 4482-98 (2011)


Article DOI: 10.1016/j.bmc.2011.06.032
BindingDB Entry DOI: 10.7270/Q2P26ZGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (human))
BDBM50336806
PNG
(1-(3-(aminomethyl)-2-isobutyl-4-p-tolylquinolin-6-...)
Show SMILES CC(C)Cc1nc2ccc(cc2c(-c2ccc(C)cc2)c1CN)N1CC(=O)NCC1=O
Show InChI InChI=1S/C25H28N4O2/c1-15(2)10-22-20(12-26)25(17-6-4-16(3)5-7-17)19-11-18(8-9-21(19)28-22)29-14-23(30)27-13-24(29)31/h4-9,11,15H,10,12-14,26H2,1-3H3,(H,27,30)
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a>6.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged human Dipeptidyl peptidase-8 expressed in 293-F cells using Gly-Pro-pNA.Tos as substrate after 90 mins by microplate reader...


Bioorg Med Chem 19: 4482-98 (2011)


Article DOI: 10.1016/j.bmc.2011.06.032
BindingDB Entry DOI: 10.7270/Q2P26ZGN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IX


(Homo sapiens (human))
BDBM50336806
PNG
(1-(3-(aminomethyl)-2-isobutyl-4-p-tolylquinolin-6-...)
Show SMILES CC(C)Cc1nc2ccc(cc2c(-c2ccc(C)cc2)c1CN)N1CC(=O)NCC1=O
Show InChI InChI=1S/C25H28N4O2/c1-15(2)10-22-20(12-26)25(17-6-4-16(3)5-7-17)19-11-18(8-9-21(19)28-22)29-14-23(30)27-13-24(29)31/h4-9,11,15H,10,12-14,26H2,1-3H3,(H,27,30)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>6.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged human Dipeptidyl peptidase-9 expressed in 293-F cells using Gly-Pro-pNA.Tos as substrate after 90 mins by microplate reader...


Bioorg Med Chem 19: 4482-98 (2011)


Article DOI: 10.1016/j.bmc.2011.06.032
BindingDB Entry DOI: 10.7270/Q2P26ZGN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%