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Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50031837   
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))
BDBM50320295
PNG
((S)-1-(2-((2beta,3aR,5S,6aS)-5-methoxyoctahydropen...)
Show SMILES CO[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C16H25N3O2/c1-21-15-7-11-5-13(6-12(11)8-15)18-10-16(20)19-4-2-3-14(19)9-17/h11-15,18H,2-8,10H2,1H3/t11-,12+,13-,14-,15+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320301
PNG
((S)-1-(2-((2beta,3aR,5S,6aS)-5-hydroxyoctahydropen...)
Show SMILES O[C@H]1C[C@H]2C[C@H](C[C@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C15H23N3O2/c16-8-13-2-1-3-18(13)15(20)9-17-12-4-10-6-14(19)7-11(10)5-12/h10-14,17,19H,1-7,9H2/t10-,11+,12-,13-,14+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50320300
PNG
((S)-1-(2-((2alpha,3aR,5S,6aS)-5-methoxyoctahydrope...)
Show SMILES CO[C@@H]1C[C@@H]2C[C@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C16H25N3O2/c1-21-15-7-11-5-13(6-12(11)8-15)18-10-16(20)19-4-2-3-14(19)9-17/h11-15,18H,2-8,10H2,1H3/t11-,12+,13+,14-,15+/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP8 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320299
PNG
((S)-1-(2-((2alpha,3aR,5R,6aS)-5-methoxyoctahydrope...)
Show SMILES CO[C@H]1C[C@@H]2C[C@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C16H25N3O2/c1-21-15-7-11-5-13(6-12(11)8-15)18-10-16(20)19-4-2-3-14(19)9-17/h11-15,18H,2-8,10H2,1H3/t11-,12+,13+,14-,15-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320306
PNG
((S)-1-(2-((2beta,3aR,5R,6aS)-5-methoxyoctahydropen...)
Show SMILES CO[C@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C16H25N3O2/c1-21-15-7-11-5-13(6-12(11)8-15)18-10-16(20)19-4-2-3-14(19)9-17/h11-15,18H,2-8,10H2,1H3/t11-,12+,13-,14-,15-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320302
PNG
((2S,3aR,5beta,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-y...)
Show SMILES CC(=O)O[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C17H25N3O3/c1-11(21)23-16-7-12-5-14(6-13(12)8-16)19-10-17(22)20-4-2-3-15(20)9-18/h12-16,19H,2-8,10H2,1H3/t12-,13+,14-,15-,16+/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50320300
PNG
((S)-1-(2-((2alpha,3aR,5S,6aS)-5-methoxyoctahydrope...)
Show SMILES CO[C@@H]1C[C@@H]2C[C@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C16H25N3O2/c1-21-15-7-11-5-13(6-12(11)8-15)18-10-16(20)19-4-2-3-14(19)9-17/h11-15,18H,2-8,10H2,1H3/t11-,12+,13+,14-,15+/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP9 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50320299
PNG
((S)-1-(2-((2alpha,3aR,5R,6aS)-5-methoxyoctahydrope...)
Show SMILES CO[C@H]1C[C@@H]2C[C@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C16H25N3O2/c1-21-15-7-11-5-13(6-12(11)8-15)18-10-16(20)19-4-2-3-14(19)9-17/h11-15,18H,2-8,10H2,1H3/t11-,12+,13+,14-,15-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP9 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320300
PNG
((S)-1-(2-((2alpha,3aR,5S,6aS)-5-methoxyoctahydrope...)
Show SMILES CO[C@@H]1C[C@@H]2C[C@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C16H25N3O2/c1-21-15-7-11-5-13(6-12(11)8-15)18-10-16(20)19-4-2-3-14(19)9-17/h11-15,18H,2-8,10H2,1H3/t11-,12+,13+,14-,15+/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320296
PNG
((S)-1-(2-((2beta,3aR,5S,6aS)-5-ethoxyoctahydropent...)
Show SMILES CCO[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C17H27N3O2/c1-2-22-16-8-12-6-14(7-13(12)9-16)19-11-17(21)20-5-3-4-15(20)10-18/h12-16,19H,2-9,11H2,1H3/t12-,13+,14-,15-,16+/m0/s1
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n/an/a 59n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320297
PNG
((2S,3aR,5beta,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-y...)
Show SMILES CN(C)C(=O)O[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C18H28N4O3/c1-21(2)18(24)25-16-8-12-6-14(7-13(12)9-16)20-11-17(23)22-5-3-4-15(22)10-19/h12-16,20H,3-9,11H2,1-2H3/t12-,13+,14-,15-,16+/m0/s1
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n/an/a 65n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320298
PNG
((2S,3aR,5beta,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-y...)
Show SMILES CCN(CC)C(=O)O[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C20H32N4O3/c1-3-23(4-2)20(26)27-18-10-14-8-16(9-15(14)11-18)22-13-19(25)24-7-5-6-17(24)12-21/h14-18,22H,3-11,13H2,1-2H3/t14-,15+,16-,17-,18+/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320305
PNG
((2S,3aR,5beta,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-y...)
Show SMILES O=C(Nc1ccccc1)O[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C22H28N4O3/c23-13-19-7-4-8-26(19)21(27)14-24-18-9-15-11-20(12-16(15)10-18)29-22(28)25-17-5-2-1-3-6-17/h1-3,5-6,15-16,18-20,24H,4,7-12,14H2,(H,25,28)/t15-,16+,18-,19-,20+/m0/s1
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n/an/a 121n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320303
PNG
((2S,3aR,5beta,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-y...)
Show SMILES CC(C)NC(=O)O[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C19H30N4O3/c1-12(2)22-19(25)26-17-8-13-6-15(7-14(13)9-17)21-11-18(24)23-5-3-4-16(23)10-20/h12-17,21H,3-9,11H2,1-2H3,(H,22,25)/t13-,14+,15-,16-,17+/m0/s1
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n/an/a 204n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50320299
PNG
((S)-1-(2-((2alpha,3aR,5R,6aS)-5-methoxyoctahydrope...)
Show SMILES CO[C@H]1C[C@@H]2C[C@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C16H25N3O2/c1-21-15-7-11-5-13(6-12(11)8-15)18-10-16(20)19-4-2-3-14(19)9-17/h11-15,18H,2-8,10H2,1H3/t11-,12+,13+,14-,15-/m0/s1
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n/an/a 235n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP8 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320304
PNG
((2S,3aR,5s,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-yl)-...)
Show SMILES CC(C)(C)NC(=O)O[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C20H32N4O3/c1-20(2,3)23-19(26)27-17-9-13-7-15(8-14(13)10-17)22-12-18(25)24-6-4-5-16(24)11-21/h13-17,22H,4-10,12H2,1-3H3,(H,23,26)/t13-,14+,15-,16-,17+/m0/s1
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n/an/a 326n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50320295
PNG
((S)-1-(2-((2beta,3aR,5S,6aS)-5-methoxyoctahydropen...)
Show SMILES CO[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C16H25N3O2/c1-21-15-7-11-5-13(6-12(11)8-15)18-10-16(20)19-4-2-3-14(19)9-17/h11-15,18H,2-8,10H2,1H3/t11-,12+,13-,14-,15+/m0/s1
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n/an/a 430n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP9 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50320302
PNG
((2S,3aR,5beta,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-y...)
Show SMILES CC(=O)O[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C17H25N3O3/c1-11(21)23-16-7-12-5-14(6-13(12)8-16)19-10-17(22)20-4-2-3-15(20)9-18/h12-16,19H,2-8,10H2,1H3/t12-,13+,14-,15-,16+/m0/s1
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n/an/a 1.38E+3n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP9 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50320296
PNG
((S)-1-(2-((2beta,3aR,5S,6aS)-5-ethoxyoctahydropent...)
Show SMILES CCO[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C17H27N3O2/c1-2-22-16-8-12-6-14(7-13(12)9-16)19-11-17(21)20-5-3-4-15(20)10-18/h12-16,19H,2-9,11H2,1H3/t12-,13+,14-,15-,16+/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP9 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50320302
PNG
((2S,3aR,5beta,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-y...)
Show SMILES CC(=O)O[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C17H25N3O3/c1-11(21)23-16-7-12-5-14(6-13(12)8-16)19-10-17(22)20-4-2-3-15(20)9-18/h12-16,19H,2-8,10H2,1H3/t12-,13+,14-,15-,16+/m0/s1
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n/an/a 1.43E+3n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP8 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50320301
PNG
((S)-1-(2-((2beta,3aR,5S,6aS)-5-hydroxyoctahydropen...)
Show SMILES O[C@H]1C[C@H]2C[C@H](C[C@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C15H23N3O2/c16-8-13-2-1-3-18(13)15(20)9-17-12-4-10-6-14(19)7-11(10)5-12/h10-14,17,19H,1-7,9H2/t10-,11+,12-,13-,14+/m0/s1
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n/an/a 3.22E+3n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP9 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50320295
PNG
((S)-1-(2-((2beta,3aR,5S,6aS)-5-methoxyoctahydropen...)
Show SMILES CO[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C16H25N3O2/c1-21-15-7-11-5-13(6-12(11)8-15)18-10-16(20)19-4-2-3-14(19)9-17/h11-15,18H,2-8,10H2,1H3/t11-,12+,13-,14-,15+/m0/s1
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n/an/a 3.57E+3n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP8 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50320296
PNG
((S)-1-(2-((2beta,3aR,5S,6aS)-5-ethoxyoctahydropent...)
Show SMILES CCO[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C17H27N3O2/c1-2-22-16-8-12-6-14(7-13(12)9-16)19-11-17(21)20-5-3-4-15(20)10-18/h12-16,19H,2-9,11H2,1H3/t12-,13+,14-,15-,16+/m0/s1
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n/an/a 3.74E+3n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP8 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50320297
PNG
((2S,3aR,5beta,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-y...)
Show SMILES CN(C)C(=O)O[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C18H28N4O3/c1-21(2)18(24)25-16-8-12-6-14(7-13(12)9-16)20-11-17(23)22-5-3-4-15(22)10-19/h12-16,20H,3-9,11H2,1-2H3/t12-,13+,14-,15-,16+/m0/s1
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n/an/a 6.86E+3n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP9 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50320298
PNG
((2S,3aR,5beta,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-y...)
Show SMILES CCN(CC)C(=O)O[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C20H32N4O3/c1-3-23(4-2)20(26)27-18-10-14-8-16(9-15(14)11-18)22-13-19(25)24-7-5-6-17(24)12-21/h14-18,22H,3-11,13H2,1-2H3/t14-,15+,16-,17-,18+/m0/s1
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n/an/a 7.75E+3n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP9 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50320301
PNG
((S)-1-(2-((2beta,3aR,5S,6aS)-5-hydroxyoctahydropen...)
Show SMILES O[C@H]1C[C@H]2C[C@H](C[C@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C15H23N3O2/c16-8-13-2-1-3-18(13)15(20)9-17-12-4-10-6-14(19)7-11(10)5-12/h10-14,17,19H,1-7,9H2/t10-,11+,12-,13-,14+/m0/s1
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n/an/a 7.93E+3n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP8 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50320297
PNG
((2S,3aR,5beta,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-y...)
Show SMILES CN(C)C(=O)O[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C18H28N4O3/c1-21(2)18(24)25-16-8-12-6-14(7-13(12)9-16)20-11-17(23)22-5-3-4-15(22)10-19/h12-16,20H,3-9,11H2,1-2H3/t12-,13+,14-,15-,16+/m0/s1
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n/an/a 8.42E+3n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP8 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50320298
PNG
((2S,3aR,5beta,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-y...)
Show SMILES CCN(CC)C(=O)O[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C20H32N4O3/c1-3-23(4-2)20(26)27-18-10-14-8-16(9-15(14)11-18)22-13-19(25)24-7-5-6-17(24)12-21/h14-18,22H,3-11,13H2,1-2H3/t14-,15+,16-,17-,18+/m0/s1
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n/an/a 1.27E+4n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP8 by chemical luminescent assay


Bioorg Med Chem Lett 20: 3521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.138
BindingDB Entry DOI: 10.7270/Q2JH3MBT
More data for this
Ligand-Target Pair