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Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'shangguan' and Initial = 's'   
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 9


(Homo sapiens (Human))
BDBM11695
PNG
((2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}p...)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:3.2.4,4:3:10:7.6.5,4:5:10:3.2.9,THB:9:3:6:10.7.8,11:8:6:3.2.4|
Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1
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n/an/a 66n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-9 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50439572
PNG
(CHEMBL2418633)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cn(Cc2ccc(Cl)c(Cl)c2)nn1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C23H22Cl2N6O/c24-19-8-5-16(10-20(19)25)13-30-14-22(28-29-30)17-6-3-15(4-7-17)11-21(27)23(32)31-9-1-2-18(31)12-26/h3-8,10,14,18,21H,1-2,9,11,13,27H2/t18-,21-/m0/s1
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Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-8 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50439572
PNG
(CHEMBL2418633)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cn(Cc2ccc(Cl)c(Cl)c2)nn1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C23H22Cl2N6O/c24-19-8-5-16(10-20(19)25)13-30-14-22(28-29-30)17-6-3-15(4-7-17)11-21(27)23(32)31-9-1-2-18(31)12-26/h3-8,10,14,18,21H,1-2,9,11,13,27H2/t18-,21-/m0/s1
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Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-9 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50439585
PNG
(CHEMBL2418637)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cn(CCc2ccccc2)nn1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C24H26N6O/c25-16-21-7-4-13-30(21)24(31)22(26)15-19-8-10-20(11-9-19)23-17-29(28-27-23)14-12-18-5-2-1-3-6-18/h1-3,5-6,8-11,17,21-22H,4,7,12-15,26H2/t21-,22-/m0/s1
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Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-8 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50439579
PNG
(CHEMBL2418627)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cn(Cc2ccccc2Cl)nn1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C23H23ClN6O/c24-20-6-2-1-4-18(20)14-29-15-22(27-28-29)17-9-7-16(8-10-17)12-21(26)23(31)30-11-3-5-19(30)13-25/h1-2,4,6-10,15,19,21H,3,5,11-12,14,26H2/t19-,21-/m0/s1
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Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-9 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50439575
PNG
(CHEMBL2418630)
Show SMILES COc1cccc(Cn2cc(nn2)-c2ccc(C[C@H](N)C(=O)N3CCC[C@H]3C#N)cc2)c1 |r|
Show InChI InChI=1S/C24H26N6O2/c1-32-21-6-2-4-18(12-21)15-29-16-23(27-28-29)19-9-7-17(8-10-19)13-22(26)24(31)30-11-3-5-20(30)14-25/h2,4,6-10,12,16,20,22H,3,5,11,13,15,26H2,1H3/t20-,22-/m0/s1
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Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-8 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50439575
PNG
(CHEMBL2418630)
Show SMILES COc1cccc(Cn2cc(nn2)-c2ccc(C[C@H](N)C(=O)N3CCC[C@H]3C#N)cc2)c1 |r|
Show InChI InChI=1S/C24H26N6O2/c1-32-21-6-2-4-18(12-21)15-29-16-23(27-28-29)19-9-7-17(8-10-19)13-22(26)24(31)30-11-3-5-20(30)14-25/h2,4,6-10,12,16,20,22H,3,5,11,13,15,26H2,1H3/t20-,22-/m0/s1
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Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-9 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50439578
PNG
(CHEMBL2417563)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cn(Cc2cccc(Cl)c2)nn1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C23H23ClN6O/c24-19-4-1-3-17(11-19)14-29-15-22(27-28-29)18-8-6-16(7-9-18)12-21(26)23(31)30-10-2-5-20(30)13-25/h1,3-4,6-9,11,15,20-21H,2,5,10,12,14,26H2/t20-,21-/m0/s1
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Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-8 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50439582
PNG
(CHEMBL2418624)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cn(Cc2ccccc2F)nn1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C23H23FN6O/c24-20-6-2-1-4-18(20)14-29-15-22(27-28-29)17-9-7-16(8-10-17)12-21(26)23(31)30-11-3-5-19(30)13-25/h1-2,4,6-10,15,19,21H,3,5,11-12,14,26H2/t19-,21-/m0/s1
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Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-8 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50439574
PNG
(CHEMBL2418631)
Show SMILES COc1ccc(Cn2cc(nn2)-c2ccc(C[C@H](N)C(=O)N3CCC[C@H]3C#N)cc2)cc1 |r|
Show InChI InChI=1S/C24H26N6O2/c1-32-21-10-6-18(7-11-21)15-29-16-23(27-28-29)19-8-4-17(5-9-19)13-22(26)24(31)30-12-2-3-20(30)14-25/h4-11,16,20,22H,2-3,12-13,15,26H2,1H3/t20-,22-/m0/s1
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Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-9 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50439577
PNG
(CHEMBL2418628)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cn(Cc2ccc(Cl)cc2)nn1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C23H23ClN6O/c24-19-9-5-17(6-10-19)14-29-15-22(27-28-29)18-7-3-16(4-8-18)12-21(26)23(31)30-11-1-2-20(30)13-25/h3-10,15,20-21H,1-2,11-12,14,26H2/t20-,21-/m0/s1
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Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-9 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50439577
PNG
(CHEMBL2418628)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cn(Cc2ccc(Cl)cc2)nn1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C23H23ClN6O/c24-19-9-5-17(6-10-19)14-29-15-22(27-28-29)18-7-3-16(4-8-18)12-21(26)23(31)30-11-1-2-20(30)13-25/h3-10,15,20-21H,1-2,11-12,14,26H2/t20-,21-/m0/s1
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Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-8 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50439582
PNG
(CHEMBL2418624)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cn(Cc2ccccc2F)nn1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C23H23FN6O/c24-20-6-2-1-4-18(20)14-29-15-22(27-28-29)17-9-7-16(8-10-17)12-21(26)23(31)30-11-3-5-19(30)13-25/h1-2,4,6-10,15,19,21H,3,5,11-12,14,26H2/t19-,21-/m0/s1
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Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-9 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50439578
PNG
(CHEMBL2417563)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cn(Cc2cccc(Cl)c2)nn1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C23H23ClN6O/c24-19-4-1-3-17(11-19)14-29-15-22(27-28-29)18-8-6-16(7-9-18)12-21(26)23(31)30-10-2-5-20(30)13-25/h1,3-4,6-9,11,15,20-21H,2,5,10,12,14,26H2/t20-,21-/m0/s1
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Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-9 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50439581
PNG
(CHEMBL2418625)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cn(Cc2cccc(F)c2)nn1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C23H23FN6O/c24-19-4-1-3-17(11-19)14-29-15-22(27-28-29)18-8-6-16(7-9-18)12-21(26)23(31)30-10-2-5-20(30)13-25/h1,3-4,6-9,11,15,20-21H,2,5,10,12,14,26H2/t20-,21-/m0/s1
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Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-9 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50439579
PNG
(CHEMBL2418627)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cn(Cc2ccccc2Cl)nn1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C23H23ClN6O/c24-20-6-2-1-4-18(20)14-29-15-22(27-28-29)17-9-7-16(8-10-17)12-21(26)23(31)30-11-3-5-19(30)13-25/h1-2,4,6-10,15,19,21H,3,5,11-12,14,26H2/t19-,21-/m0/s1
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Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-8 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50439581
PNG
(CHEMBL2418625)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cn(Cc2cccc(F)c2)nn1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C23H23FN6O/c24-19-4-1-3-17(11-19)14-29-15-22(27-28-29)18-8-6-16(7-9-18)12-21(26)23(31)30-10-2-5-20(30)13-25/h1,3-4,6-9,11,15,20-21H,2,5,10,12,14,26H2/t20-,21-/m0/s1
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Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-8 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50439580
PNG
(CHEMBL2418626)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)nn1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C23H23FN6O/c24-19-9-5-17(6-10-19)14-29-15-22(27-28-29)18-7-3-16(4-8-18)12-21(26)23(31)30-11-1-2-20(30)13-25/h3-10,15,20-21H,1-2,11-12,14,26H2/t20-,21-/m0/s1
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Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-9 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50439573
PNG
(CHEMBL2418632)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cn(Cc2ccc(F)c(F)c2)nn1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C23H22F2N6O/c24-19-8-5-16(10-20(19)25)13-30-14-22(28-29-30)17-6-3-15(4-7-17)11-21(27)23(32)31-9-1-2-18(31)12-26/h3-8,10,14,18,21H,1-2,9,11,13,27H2/t18-,21-/m0/s1
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n/an/a 440n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-9 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50439580
PNG
(CHEMBL2418626)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)nn1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C23H23FN6O/c24-19-9-5-17(6-10-19)14-29-15-22(27-28-29)18-7-3-16(4-8-18)12-21(26)23(31)30-11-1-2-20(30)13-25/h3-10,15,20-21H,1-2,11-12,14,26H2/t20-,21-/m0/s1
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n/an/a 440n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-8 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50439574
PNG
(CHEMBL2418631)
Show SMILES COc1ccc(Cn2cc(nn2)-c2ccc(C[C@H](N)C(=O)N3CCC[C@H]3C#N)cc2)cc1 |r|
Show InChI InChI=1S/C24H26N6O2/c1-32-21-10-6-18(7-11-21)15-29-16-23(27-28-29)19-8-4-17(5-9-19)13-22(26)24(31)30-12-2-3-20(30)14-25/h4-11,16,20,22H,2-3,12-13,15,26H2,1H3/t20-,22-/m0/s1
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n/an/a 450n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-8 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50439583
PNG
(CHEMBL2418639)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cn(Cc2cccs2)nn1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C21H22N6OS/c22-12-17-3-1-9-27(17)21(28)19(23)11-15-5-7-16(8-6-15)20-14-26(25-24-20)13-18-4-2-10-29-18/h2,4-8,10,14,17,19H,1,3,9,11,13,23H2/t17-,19-/m0/s1
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n/an/a 450n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-9 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50439571
PNG
(CHEMBL2418634)
Show SMILES COc1ccc(Cn2cc(nn2)-c2ccc(C[C@H](N)C(=O)N3CCC[C@H]3C#N)cc2)cc1OC |r|
Show InChI InChI=1S/C25H28N6O3/c1-33-23-10-7-18(13-24(23)34-2)15-30-16-22(28-29-30)19-8-5-17(6-9-19)12-21(27)25(32)31-11-3-4-20(31)14-26/h5-10,13,16,20-21H,3-4,11-12,15,27H2,1-2H3/t20-,21-/m0/s1
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n/an/a 470n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-8 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50439583
PNG
(CHEMBL2418639)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cn(Cc2cccs2)nn1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C21H22N6OS/c22-12-17-3-1-9-27(17)21(28)19(23)11-15-5-7-16(8-6-15)20-14-26(25-24-20)13-18-4-2-10-29-18/h2,4-8,10,14,17,19H,1,3,9,11,13,23H2/t17-,19-/m0/s1
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n/an/a 510n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-8 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50439576
PNG
(CHEMBL2418629)
Show SMILES COc1ccccc1Cn1cc(nn1)-c1ccc(C[C@H](N)C(=O)N2CCC[C@H]2C#N)cc1 |r|
Show InChI InChI=1S/C24H26N6O2/c1-32-23-7-3-2-5-19(23)15-29-16-22(27-28-29)18-10-8-17(9-11-18)13-21(26)24(31)30-12-4-6-20(30)14-25/h2-3,5,7-11,16,20-21H,4,6,12-13,15,26H2,1H3/t20-,21-/m0/s1
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n/an/a 550n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-9 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50439571
PNG
(CHEMBL2418634)
Show SMILES COc1ccc(Cn2cc(nn2)-c2ccc(C[C@H](N)C(=O)N3CCC[C@H]3C#N)cc2)cc1OC |r|
Show InChI InChI=1S/C25H28N6O3/c1-33-23-10-7-18(13-24(23)34-2)15-30-16-22(28-29-30)19-8-5-17(6-9-19)12-21(27)25(32)31-11-3-4-20(31)14-26/h5-10,13,16,20-21H,3-4,11-12,15,27H2,1-2H3/t20-,21-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-9 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50439585
PNG
(CHEMBL2418637)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cn(CCc2ccccc2)nn1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C24H26N6O/c25-16-21-7-4-13-30(21)24(31)22(26)15-19-8-10-20(11-9-19)23-17-29(28-27-23)14-12-18-5-2-1-3-6-18/h1-3,5-6,8-11,17,21-22H,4,7,12-15,26H2/t21-,22-/m0/s1
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n/an/a 620n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-9 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50439586
PNG
(CHEMBL2418636)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cn(Cc2ccccc2)nn1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C23H24N6O/c24-14-20-7-4-12-29(20)23(30)21(25)13-17-8-10-19(11-9-17)22-16-28(27-26-22)15-18-5-2-1-3-6-18/h1-3,5-6,8-11,16,20-21H,4,7,12-13,15,25H2/t20-,21-/m0/s1
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n/an/a 630n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-9 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50439586
PNG
(CHEMBL2418636)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cn(Cc2ccccc2)nn1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C23H24N6O/c24-14-20-7-4-12-29(20)23(30)21(25)13-17-8-10-19(11-9-17)22-16-28(27-26-22)15-18-5-2-1-3-6-18/h1-3,5-6,8-11,16,20-21H,4,7,12-13,15,25H2/t20-,21-/m0/s1
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n/an/a 680n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-8 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50439573
PNG
(CHEMBL2418632)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cn(Cc2ccc(F)c(F)c2)nn1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C23H22F2N6O/c24-19-8-5-16(10-20(19)25)13-30-14-22(28-29-30)17-6-3-15(4-7-17)11-21(27)23(32)31-9-1-2-18(31)12-26/h3-8,10,14,18,21H,1-2,9,11,13,27H2/t18-,21-/m0/s1
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n/an/a 690n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-8 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM11695
PNG
((2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}p...)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:3.2.4,4:3:10:7.6.5,4:5:10:3.2.9,THB:9:3:6:10.7.8,11:8:6:3.2.4|
Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-8 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50439584
PNG
(CHEMBL2418638)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cn(Cc2ccncc2)nn1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C22H23N7O/c23-13-19-2-1-11-29(19)22(30)20(24)12-16-3-5-18(6-4-16)21-15-28(27-26-21)14-17-7-9-25-10-8-17/h3-10,15,19-20H,1-2,11-12,14,24H2/t19-,20-/m0/s1
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n/an/a 1.13E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-8 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50439576
PNG
(CHEMBL2418629)
Show SMILES COc1ccccc1Cn1cc(nn1)-c1ccc(C[C@H](N)C(=O)N2CCC[C@H]2C#N)cc1 |r|
Show InChI InChI=1S/C24H26N6O2/c1-32-23-7-3-2-5-19(23)15-29-16-22(27-28-29)18-10-8-17(9-11-18)13-21(26)24(31)30-12-4-6-20(30)14-25/h2-3,5,7-11,16,20-21H,4,6,12-13,15,26H2,1H3/t20-,21-/m0/s1
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n/an/a 1.21E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-8 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50439584
PNG
(CHEMBL2418638)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1cn(Cc2ccncc2)nn1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C22H23N7O/c23-13-19-2-1-11-29(19)22(30)20(24)12-16-3-5-18(6-4-16)21-15-28(27-26-21)14-17-7-9-25-10-8-17/h3-10,15,19-20H,1-2,11-12,14,24H2/t19-,20-/m0/s1
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n/an/a 1.61E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-9 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM11162
PNG
((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
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n/an/a 1.15E+5n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-8 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM11162
PNG
((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
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n/an/a 1.30E+5n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of human purified His-tagged DPP-9 assessed as cleavage of substrate using Gly-Pro-AMC chromogenic substrate after 60 mins by fluorescence...


Bioorg Med Chem 21: 5679-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.034
BindingDB Entry DOI: 10.7270/Q26Q1ZN6
More data for this
Ligand-Target Pair