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PubMed code 22019046

Compile data set for download or QSAR
Found 35 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))
BDBM50359369
PNG
(CHEMBL1929390)
Show SMILES Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)c(=O)n2[nH]1 |r|
Show InChI InChI=1S/C19H25N7O3/c1-12-7-15-21-9-14(18(29)26(15)24-12)17(28)22-11-19(2,3)23-10-16(27)25-6-4-5-13(25)8-20/h7,9,13,23-24H,4-6,10-11H2,1-3H3,(H,22,28)/t13-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-4 using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50359366
PNG
(CHEMBL1929387 | CHEMBL1929396)
Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-4 using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50359371
PNG
(CHEMBL1929392)
Show SMILES Cc1c(cnc2cc(nn12)-c1ccccc1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C25H29N7O2/c1-17-20(14-27-22-12-21(30-32(17)22)18-8-5-4-6-9-18)24(34)28-16-25(2,3)29-15-23(33)31-11-7-10-19(31)13-26/h4-6,8-9,12,14,19,29H,7,10-11,15-16H2,1-3H3,(H,28,34)/t19-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-4 using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50359373
PNG
(CHEMBL1929394)
Show SMILES Cc1nc2cc(nn2c(C)c1C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N)-c1ccccc1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-17-24(18(2)33-22(30-17)13-21(31-33)19-9-6-5-7-10-19)25(35)28-16-26(3,4)29-15-23(34)32-12-8-11-20(32)14-27/h5-7,9-10,13,20,29H,8,11-12,15-16H2,1-4H3,(H,28,35)/t20-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-8 expressed in Sf9 cells using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition meas...


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50359367
PNG
(CHEMBL1929388)
Show SMILES Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)c(C)n2n1 |r|
Show InChI InChI=1S/C20H27N7O2/c1-13-8-17-22-10-16(14(2)27(17)25-13)19(29)23-12-20(3,4)24-11-18(28)26-7-5-6-15(26)9-21/h8,10,15,24H,5-7,11-12H2,1-4H3,(H,23,29)/t15-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-4 using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50359370
PNG
(CHEMBL1929391)
Show SMILES Cc1c(cnc2cc(nn12)C(C)(C)C)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C23H33N7O2/c1-15-17(12-25-19-10-18(22(2,3)4)28-30(15)19)21(32)26-14-23(5,6)27-13-20(31)29-9-7-8-16(29)11-24/h10,12,16,27H,7-9,13-14H2,1-6H3,(H,26,32)/t16-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-4 using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50359373
PNG
(CHEMBL1929394)
Show SMILES Cc1nc2cc(nn2c(C)c1C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N)-c1ccccc1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-17-24(18(2)33-22(30-17)13-21(31-33)19-9-6-5-7-10-19)25(35)28-16-26(3,4)29-15-23(34)32-12-8-11-20(32)14-27/h5-7,9-10,13,20,29H,8,11-12,15-16H2,1-4H3,(H,28,35)/t20-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-9 expressed in Sf9 cells using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition meas...


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50359374
PNG
(CHEMBL1929395)
Show SMILES Cc1cc2nc(C)c(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)c(C)n2n1 |r|
Show InChI InChI=1S/C21H29N7O2/c1-13-9-17-25-14(2)19(15(3)28(17)26-13)20(30)23-12-21(4,5)24-11-18(29)27-8-6-7-16(27)10-22/h9,16,24H,6-8,11-12H2,1-5H3,(H,23,30)/t16-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-9 expressed in Sf9 cells using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition meas...


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50359373
PNG
(CHEMBL1929394)
Show SMILES Cc1nc2cc(nn2c(C)c1C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N)-c1ccccc1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-17-24(18(2)33-22(30-17)13-21(31-33)19-9-6-5-7-10-19)25(35)28-16-26(3,4)29-15-23(34)32-12-8-11-20(32)14-27/h5-7,9-10,13,20,29H,8,11-12,15-16H2,1-4H3,(H,28,35)/t20-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-4 using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50359371
PNG
(CHEMBL1929392)
Show SMILES Cc1c(cnc2cc(nn12)-c1ccccc1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C25H29N7O2/c1-17-20(14-27-22-12-21(30-32(17)22)18-8-5-4-6-9-18)24(34)28-16-25(2,3)29-15-23(33)31-11-7-10-19(31)13-26/h4-6,8-9,12,14,19,29H,7,10-11,15-16H2,1-3H3,(H,28,34)/t19-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-9 expressed in Sf9 cells using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition meas...


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50359368
PNG
(CHEMBL1929389)
Show SMILES Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)c(n2n1)C(F)(F)F |r|
Show InChI InChI=1S/C20H24F3N7O2/c1-12-7-15-25-9-14(17(20(21,22)23)30(15)28-12)18(32)26-11-19(2,3)27-10-16(31)29-6-4-5-13(29)8-24/h7,9,13,27H,4-6,10-11H2,1-3H3,(H,26,32)/t13-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-4 using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50359371
PNG
(CHEMBL1929392)
Show SMILES Cc1c(cnc2cc(nn12)-c1ccccc1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C25H29N7O2/c1-17-20(14-27-22-12-21(30-32(17)22)18-8-5-4-6-9-18)24(34)28-16-25(2,3)29-15-23(33)31-11-7-10-19(31)13-26/h4-6,8-9,12,14,19,29H,7,10-11,15-16H2,1-3H3,(H,28,34)/t19-/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-8 expressed in Sf9 cells using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition meas...


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50359374
PNG
(CHEMBL1929395)
Show SMILES Cc1cc2nc(C)c(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)c(C)n2n1 |r|
Show InChI InChI=1S/C21H29N7O2/c1-13-9-17-25-14(2)19(15(3)28(17)26-13)20(30)23-12-21(4,5)24-11-18(29)27-8-6-7-16(27)10-22/h9,16,24H,6-8,11-12H2,1-5H3,(H,23,30)/t16-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-8 expressed in Sf9 cells using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition meas...


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50359369
PNG
(CHEMBL1929390)
Show SMILES Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)c(=O)n2[nH]1 |r|
Show InChI InChI=1S/C19H25N7O3/c1-12-7-15-21-9-14(18(29)26(15)24-12)17(28)22-11-19(2,3)23-10-16(27)25-6-4-5-13(25)8-20/h7,9,13,23-24H,4-6,10-11H2,1-3H3,(H,22,28)/t13-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-9 expressed in Sf9 cells using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition meas...


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50359372
PNG
(CHEMBL1929393)
Show SMILES Cc1nc2cc(nn2c(C)c1C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N)C(C)(C)C |r|
Show InChI InChI=1S/C24H35N7O2/c1-15-21(16(2)31-19(28-15)11-18(29-31)23(3,4)5)22(33)26-14-24(6,7)27-13-20(32)30-10-8-9-17(30)12-25/h11,17,27H,8-10,13-14H2,1-7H3,(H,26,33)/t17-/m0/s1
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n/an/a 53n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-9 expressed in Sf9 cells using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition meas...


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50359369
PNG
(CHEMBL1929390)
Show SMILES Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)c(=O)n2[nH]1 |r|
Show InChI InChI=1S/C19H25N7O3/c1-12-7-15-21-9-14(18(29)26(15)24-12)17(28)22-11-19(2,3)23-10-16(27)25-6-4-5-13(25)8-20/h7,9,13,23-24H,4-6,10-11H2,1-3H3,(H,22,28)/t13-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-8 expressed in Sf9 cells using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition meas...


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50359366
PNG
(CHEMBL1929387 | CHEMBL1929396)
Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-9 expressed in Sf9 cells using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition meas...


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50359367
PNG
(CHEMBL1929388)
Show SMILES Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)c(C)n2n1 |r|
Show InChI InChI=1S/C20H27N7O2/c1-13-8-17-22-10-16(14(2)27(17)25-13)19(29)23-12-20(3,4)24-11-18(28)26-7-5-6-15(26)9-21/h8,10,15,24H,5-7,11-12H2,1-4H3,(H,23,29)/t15-/m0/s1
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n/an/a 64n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-9 expressed in Sf9 cells using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition meas...


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50359370
PNG
(CHEMBL1929391)
Show SMILES Cc1c(cnc2cc(nn12)C(C)(C)C)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C23H33N7O2/c1-15-17(12-25-19-10-18(22(2,3)4)28-30(15)19)21(32)26-14-23(5,6)27-13-20(31)29-9-7-8-16(29)11-24/h10,12,16,27H,7-9,13-14H2,1-6H3,(H,26,32)/t16-/m0/s1
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n/an/a 66n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-9 expressed in Sf9 cells using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition meas...


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50359366
PNG
(CHEMBL1929387 | CHEMBL1929396)
Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-8 expressed in Sf9 cells using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition meas...


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50359367
PNG
(CHEMBL1929388)
Show SMILES Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)c(C)n2n1 |r|
Show InChI InChI=1S/C20H27N7O2/c1-13-8-17-22-10-16(14(2)27(17)25-13)19(29)23-12-20(3,4)24-11-18(28)26-7-5-6-15(26)9-21/h8,10,15,24H,5-7,11-12H2,1-4H3,(H,23,29)/t15-/m0/s1
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n/an/a 76n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-8 expressed in Sf9 cells using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition meas...


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50359372
PNG
(CHEMBL1929393)
Show SMILES Cc1nc2cc(nn2c(C)c1C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N)C(C)(C)C |r|
Show InChI InChI=1S/C24H35N7O2/c1-15-21(16(2)31-19(28-15)11-18(29-31)23(3,4)5)22(33)26-14-24(6,7)27-13-20(32)30-10-8-9-17(30)12-25/h11,17,27H,8-10,13-14H2,1-7H3,(H,26,33)/t17-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-4 using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50359368
PNG
(CHEMBL1929389)
Show SMILES Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)c(n2n1)C(F)(F)F |r|
Show InChI InChI=1S/C20H24F3N7O2/c1-12-7-15-25-9-14(17(20(21,22)23)30(15)28-12)18(32)26-11-19(2,3)27-10-16(31)29-6-4-5-13(29)8-24/h7,9,13,27H,4-6,10-11H2,1-3H3,(H,26,32)/t13-/m0/s1
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n/an/a 81n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-9 expressed in Sf9 cells using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition meas...


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50359368
PNG
(CHEMBL1929389)
Show SMILES Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)c(n2n1)C(F)(F)F |r|
Show InChI InChI=1S/C20H24F3N7O2/c1-12-7-15-25-9-14(17(20(21,22)23)30(15)28-12)18(32)26-11-19(2,3)27-10-16(31)29-6-4-5-13(29)8-24/h7,9,13,27H,4-6,10-11H2,1-3H3,(H,26,32)/t13-/m0/s1
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n/an/a>100n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-8 expressed in Sf9 cells using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition meas...


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50359370
PNG
(CHEMBL1929391)
Show SMILES Cc1c(cnc2cc(nn12)C(C)(C)C)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C23H33N7O2/c1-15-17(12-25-19-10-18(22(2,3)4)28-30(15)19)21(32)26-14-23(5,6)27-13-20(31)29-9-7-8-16(29)11-24/h10,12,16,27H,7-9,13-14H2,1-6H3,(H,26,32)/t16-/m0/s1
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n/an/a>100n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-8 expressed in Sf9 cells using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition meas...


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50359372
PNG
(CHEMBL1929393)
Show SMILES Cc1nc2cc(nn2c(C)c1C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N)C(C)(C)C |r|
Show InChI InChI=1S/C24H35N7O2/c1-15-21(16(2)31-19(28-15)11-18(29-31)23(3,4)5)22(33)26-14-24(6,7)27-13-20(32)30-10-8-9-17(30)12-25/h11,17,27H,8-10,13-14H2,1-7H3,(H,26,33)/t17-/m0/s1
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Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-8 expressed in Sf9 cells using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition meas...


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50359374
PNG
(CHEMBL1929395)
Show SMILES Cc1cc2nc(C)c(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)c(C)n2n1 |r|
Show InChI InChI=1S/C21H29N7O2/c1-13-9-17-25-14(2)19(15(3)28(17)26-13)20(30)23-12-21(4,5)24-11-18(29)27-8-6-7-16(27)10-22/h9,16,24H,6-8,11-12H2,1-5H3,(H,23,30)/t16-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP-4 using H-Gly-Pro-AMC as substrate preincubated for 30 mins before substrate addition measured after 20 mins by f...


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50359366
PNG
(CHEMBL1929387 | CHEMBL1929396)
Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50359366
PNG
(CHEMBL1929387 | CHEMBL1929396)
Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50359366
PNG
(CHEMBL1929387 | CHEMBL1929396)
Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50359366
PNG
(CHEMBL1929387 | CHEMBL1929396)
Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50359366
PNG
(CHEMBL1929387 | CHEMBL1929396)
Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Homo sapiens (Human))
BDBM50359366
PNG
(CHEMBL1929387 | CHEMBL1929396)
Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
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n/an/a 7.27E+4n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in baculovirus-infected Sf9 insect cells using H-Ala-Pro-AFC as substrate after 60 mins by fluorescence...


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50359366
PNG
(CHEMBL1929387 | CHEMBL1929396)
Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
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n/an/a 1.77E+5n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP-2 expressed in human Caco-2 cells using H-Lys-Ala-AMC as substrate preincubated for 30 mins before substrate addition measured afte...


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50359366
PNG
(CHEMBL1929387 | CHEMBL1929396)
Show SMILES Cc1cc2ncc(cn2n1)C(=O)NCC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells by patch clamp assay


Bioorg Med Chem 19: 7221-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.043
BindingDB Entry DOI: 10.7270/Q2862GVX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%