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PubMed code 23072865

Compile data set for download or QSAR
Found 59 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))
BDBM50401518
PNG
(CHEMBL2206469)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1cccc(c1)-c1cncs1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C24H24F3N3O3S2/c25-19-12-21(27)20(26)10-16(19)9-18(28)11-23(31)30-24(4-6-35(32,33)7-5-24)17-3-1-2-15(8-17)22-13-29-14-34-22/h1-3,8,10,12-14,18H,4-7,9,11,28H2,(H,30,31)/t18-/m1/s1
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n/an/a 7.80n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cell extracts using Ala-Pro-AFC as substrate after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50401519
PNG
(CHEMBL2203319)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1cccc(c1)-n1ccnc1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C24H25F3N4O3S/c25-20-14-22(27)21(26)11-16(20)10-18(28)13-23(32)30-24(4-8-35(33,34)9-5-24)17-2-1-3-19(12-17)31-7-6-29-15-31/h1-3,6-7,11-12,14-15,18H,4-5,8-10,13,28H2,(H,30,32)/t18-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cell extracts using Ala-Pro-AFC as substrate after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50401517
PNG
(CHEMBL2206475)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc(cs1)-c1ccccc1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C24H24F3N3O3S2/c25-18-13-20(27)19(26)11-16(18)10-17(28)12-22(31)30-24(6-8-35(32,33)9-7-24)23-29-21(14-34-23)15-4-2-1-3-5-15/h1-5,11,13-14,17H,6-10,12,28H2,(H,30,31)/t17-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cell extracts using Ala-Pro-AFC as substrate after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50401514
PNG
(CHEMBL2206476)
Show SMILES COc1cccc(c1)-c1csc(n1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1ccccc1F |r|
Show InChI InChI=1S/C25H28FN3O4S2/c1-33-20-7-4-6-18(14-20)22-16-34-24(28-22)25(9-11-35(31,32)12-10-25)29-23(30)15-19(27)13-17-5-2-3-8-21(17)26/h2-8,14,16,19H,9-13,15,27H2,1H3,(H,29,30)/t19-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cell extracts using Ala-Pro-AFC as substrate after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50401534
PNG
(CHEMBL2206468)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1cccc(c1)-c1cncs1)Cc1ccccc1F |r|
Show InChI InChI=1S/C24H26FN3O3S2/c25-21-7-2-1-4-17(21)13-20(26)14-23(29)28-24(8-10-33(30,31)11-9-24)19-6-3-5-18(12-19)22-15-27-16-32-22/h1-7,12,15-16,20H,8-11,13-14,26H2,(H,28,29)/t20-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cell extracts using Ala-Pro-AFC as substrate after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50401533
PNG
(CHEMBL2206485)
Show SMILES COc1cccc(c1)-c1nnc(o1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C24H25F3N4O5S/c1-35-17-4-2-3-14(10-17)22-30-31-23(36-22)24(5-7-37(33,34)8-6-24)29-21(32)12-16(28)9-15-11-19(26)20(27)13-18(15)25/h2-4,10-11,13,16H,5-9,12,28H2,1H3,(H,29,32)/t16-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cell extracts using Ala-Pro-AFC as substrate after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50401532
PNG
(CHEMBL2206484)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nnc(o1)-c1cccc(F)c1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C23H22F4N4O4S/c24-15-3-1-2-13(8-15)21-30-31-22(35-21)23(4-6-36(33,34)7-5-23)29-20(32)11-16(28)9-14-10-18(26)19(27)12-17(14)25/h1-3,8,10,12,16H,4-7,9,11,28H2,(H,29,32)/t16-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cell extracts using Ala-Pro-AFC as substrate after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50401531
PNG
(CHEMBL2206478)
Show SMILES COc1ccccc1-c1csc(n1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C25H26F3N3O4S2/c1-35-22-5-3-2-4-17(22)21-14-36-24(30-21)25(6-8-37(33,34)9-7-25)31-23(32)12-16(29)10-15-11-19(27)20(28)13-18(15)26/h2-5,11,13-14,16H,6-10,12,29H2,1H3,(H,31,32)/t16-/m1/s1
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n/an/a 59n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cell extracts using Ala-Pro-AFC as substrate after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50401512
PNG
(CHEMBL2206474)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc(cs1)-c1ccccc1)Cc1ccccc1F |r|
Show InChI InChI=1S/C24H26FN3O3S2/c25-20-9-5-4-8-18(20)14-19(26)15-22(29)28-24(10-12-33(30,31)13-11-24)23-27-21(16-32-23)17-6-2-1-3-7-17/h1-9,16,19H,10-15,26H2,(H,28,29)/t19-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cell extracts using Ala-Pro-AFC as substrate after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50401513
PNG
(CHEMBL2206487)
Show SMILES Cc1sc(nc1-c1ccccc1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1ccccc1F |r|
Show InChI InChI=1S/C25H28FN3O3S2/c1-17-23(18-7-3-2-4-8-18)28-24(33-17)25(11-13-34(31,32)14-12-25)29-22(30)16-20(27)15-19-9-5-6-10-21(19)26/h2-10,20H,11-16,27H2,1H3,(H,29,30)/t20-/m1/s1
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n/an/a 72n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cell extracts using Ala-Pro-AFC as substrate after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50401515
PNG
(CHEMBL2206488)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1ccccc1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C21H23F3N2O3S/c22-17-13-19(24)18(23)11-14(17)10-16(25)12-20(27)26-21(15-4-2-1-3-5-15)6-8-30(28,29)9-7-21/h1-5,11,13,16H,6-10,12,25H2,(H,26,27)/t16-/m1/s1
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n/an/a 83n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cell extracts using Ala-Pro-AFC as substrate after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50401516
PNG
(CHEMBL2206471)
Show SMILES Cn1cncc1-c1cccc(c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1ccccc1F |r|
Show InChI InChI=1S/C25H29FN4O3S/c1-30-17-28-16-23(30)19-6-4-7-20(13-19)25(9-11-34(32,33)12-10-25)29-24(31)15-21(27)14-18-5-2-3-8-22(18)26/h2-8,13,16-17,21H,9-12,14-15,27H2,1H3,(H,29,31)/t21-/m1/s1
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n/an/a 84n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cell extracts using Ala-Pro-AFC as substrate after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50401530
PNG
(CHEMBL2206483)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nnc(o1)-c1ccccc1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C23H23F3N4O4S/c24-17-13-19(26)18(25)11-15(17)10-16(27)12-20(31)28-23(6-8-35(32,33)9-7-23)22-30-29-21(34-22)14-4-2-1-3-5-14/h1-5,11,13,16H,6-10,12,27H2,(H,28,31)/t16-/m1/s1
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n/an/a 94n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cell extracts using Ala-Pro-AFC as substrate after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50401511
PNG
(CHEMBL2206482)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc(cs1)-c1ccc(F)cc1)Cc1ccccc1F |r|
Show InChI InChI=1S/C24H25F2N3O3S2/c25-18-7-5-16(6-8-18)21-15-33-23(28-21)24(9-11-34(31,32)12-10-24)29-22(30)14-19(27)13-17-3-1-2-4-20(17)26/h1-8,15,19H,9-14,27H2,(H,29,30)/t19-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cell extracts using Ala-Pro-AFC as substrate after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50401529
PNG
(CHEMBL2206480)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc(cs1)-c1ccc(cc1)C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C25H23F6N3O3S2/c26-18-12-20(28)19(27)10-15(18)9-17(32)11-22(35)34-24(5-7-39(36,37)8-6-24)23-33-21(13-38-23)14-1-3-16(4-2-14)25(29,30)31/h1-4,10,12-13,17H,5-9,11,32H2,(H,34,35)/t17-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cell extracts using Ala-Pro-AFC as substrate after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50401528
PNG
(CHEMBL2206486)
Show SMILES Cn1cc(nc1C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)-c1ccccc1 |r|
Show InChI InChI=1S/C25H27F3N4O3S/c1-32-15-22(16-5-3-2-4-6-16)30-24(32)25(7-9-36(34,35)10-8-25)31-23(33)13-18(29)11-17-12-20(27)21(28)14-19(17)26/h2-6,12,14-15,18H,7-11,13,29H2,1H3,(H,31,33)/t18-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cell extracts using Ala-Pro-AFC as substrate after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50401527
PNG
(CHEMBL2206481)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc(cs1)-c1cccc(c1)C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C25H23F6N3O3S2/c26-18-12-20(28)19(27)10-15(18)9-17(32)11-22(35)34-24(4-6-39(36,37)7-5-24)23-33-21(13-38-23)14-2-1-3-16(8-14)25(29,30)31/h1-3,8,10,12-13,17H,4-7,9,11,32H2,(H,34,35)/t17-/m1/s1
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n/an/a 190n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cell extracts using Ala-Pro-AFC as substrate after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50275849
PNG
((R)-3-Amino-N-(1,1-dioxo-4-thiazol-2-yl-hexahydro-...)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nccs1)Cc1ccccc1F |r|
Show InChI InChI=1S/C18H22FN3O3S2/c19-15-4-2-1-3-13(15)11-14(20)12-16(23)22-18(17-21-7-8-26-17)5-9-27(24,25)10-6-18/h1-4,7-8,14H,5-6,9-12,20H2,(H,22,23)/t14-/m1/s1
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n/an/a 190n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cell extracts using Ala-Pro-AFC as substrate after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50401526
PNG
(CHEMBL2206473)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1cccc(c1)-c1cnc(s1)C1CCCCN1)Cc1ccccc1F |r|
Show InChI InChI=1S/C29H35FN4O3S2/c30-24-9-2-1-6-20(24)17-23(31)18-27(35)34-29(11-14-39(36,37)15-12-29)22-8-5-7-21(16-22)26-19-33-28(38-26)25-10-3-4-13-32-25/h1-2,5-9,16,19,23,25,32H,3-4,10-15,17-18,31H2,(H,34,35)/t23-,25?/m1/s1
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n/an/a 250n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cell extracts using Ala-Pro-AFC as substrate after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50401525
PNG
(CHEMBL2206472)
Show SMILES Cc1ncc(s1)-c1cccc(c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1ccccc1F |r|
Show InChI InChI=1S/C25H28FN3O3S2/c1-17-28-16-23(33-17)19-6-4-7-20(13-19)25(9-11-34(31,32)12-10-25)29-24(30)15-21(27)14-18-5-2-3-8-22(18)26/h2-8,13,16,21H,9-12,14-15,27H2,1H3,(H,29,30)/t21-/m1/s1
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n/an/a 280n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cell extracts using Ala-Pro-AFC as substrate after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50401524
PNG
(CHEMBL2206470)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1cccc(c1)-c1cn[nH]c1)Cc1ccccc1F |r|
Show InChI InChI=1S/C24H27FN4O3S/c25-22-7-2-1-4-18(22)13-21(26)14-23(30)29-24(8-10-33(31,32)11-9-24)20-6-3-5-17(12-20)19-15-27-28-16-19/h1-7,12,15-16,21H,8-11,13-14,26H2,(H,27,28)(H,29,30)/t21-/m1/s1
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n/an/a 330n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cell extracts using Ala-Pro-AFC as substrate after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50401523
PNG
(CHEMBL2206467)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1cccc(c1)-c1nccs1)Cc1ccccc1F |r|
Show InChI InChI=1S/C24H26FN3O3S2/c25-21-7-2-1-4-17(21)15-20(26)16-22(29)28-24(8-12-33(30,31)13-9-24)19-6-3-5-18(14-19)23-27-10-11-32-23/h1-7,10-11,14,20H,8-9,12-13,15-16,26H2,(H,28,29)/t20-/m1/s1
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n/an/a 390n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cell extracts using Ala-Pro-AFC as substrate after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50401522
PNG
(CHEMBL2206466)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1cccc(c1)-c1ccncc1)Cc1ccccc1F |r|
Show InChI InChI=1S/C26H28FN3O3S/c27-24-7-2-1-4-21(24)17-23(28)18-25(31)30-26(10-14-34(32,33)15-11-26)22-6-3-5-20(16-22)19-8-12-29-13-9-19/h1-9,12-13,16,23H,10-11,14-15,17-18,28H2,(H,30,31)/t23-/m1/s1
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n/an/a 490n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cell extracts using Ala-Pro-AFC as substrate after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50275847
PNG
((R)-3-Amino-N-(1,1-dioxo-4-phenyl-hexahydro-1lambd...)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1ccccc1)Cc1ccccc1F |r|
Show InChI InChI=1S/C21H25FN2O3S/c22-19-9-5-4-6-16(19)14-18(23)15-20(25)24-21(17-7-2-1-3-8-17)10-12-28(26,27)13-11-21/h1-9,18H,10-15,23H2,(H,24,25)/t18-/m1/s1
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n/an/a 570n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cell extracts using Ala-Pro-AFC as substrate after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50401521
PNG
(CHEMBL2206477)
Show SMILES COc1ccc(cc1)-c1csc(n1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1ccccc1F |r|
Show InChI InChI=1S/C25H28FN3O4S2/c1-33-20-8-6-17(7-9-20)22-16-34-24(28-22)25(10-12-35(31,32)13-11-25)29-23(30)15-19(27)14-18-4-2-3-5-21(18)26/h2-9,16,19H,10-15,27H2,1H3,(H,29,30)/t19-/m1/s1
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n/an/a 670n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cell extracts using Ala-Pro-AFC as substrate after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50401518
PNG
(CHEMBL2206469)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1cccc(c1)-c1cncs1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C24H24F3N3O3S2/c25-19-12-21(27)20(26)10-16(19)9-18(28)11-23(31)30-24(4-6-35(32,33)7-5-24)17-3-1-2-15(8-17)22-13-29-14-34-22/h1-3,8,10,12-14,18H,4-7,9,11,28H2,(H,30,31)/t18-/m1/s1
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n/an/a 940n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50401520
PNG
(CHEMBL2206479)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc(cs1)-c1ccc(Cl)cc1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C24H23ClF3N3O3S2/c25-16-3-1-14(2-4-16)21-13-35-23(30-21)24(5-7-36(33,34)8-6-24)31-22(32)11-17(29)9-15-10-19(27)20(28)12-18(15)26/h1-4,10,12-13,17H,5-9,11,29H2,(H,31,32)/t17-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cell extracts using Ala-Pro-AFC as substrate after 20 mins by fluorescence assay


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50401519
PNG
(CHEMBL2203319)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1cccc(c1)-n1ccnc1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C24H25F3N4O3S/c25-20-14-22(27)21(26)11-16(20)10-18(28)13-23(32)30-24(4-8-35(33,34)9-5-24)17-2-1-3-19(12-17)31-7-6-29-15-31/h1-3,6-7,11-12,14-15,18H,4-5,8-10,13,28H2,(H,30,32)/t18-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50401518
PNG
(CHEMBL2206469)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1cccc(c1)-c1cncs1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C24H24F3N3O3S2/c25-19-12-21(27)20(26)10-16(19)9-18(28)11-23(31)30-24(4-6-35(32,33)7-5-24)17-3-1-2-15(8-17)22-13-29-14-34-22/h1-3,8,10,12-14,18H,4-7,9,11,28H2,(H,30,31)/t18-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50401517
PNG
(CHEMBL2206475)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc(cs1)-c1ccccc1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C24H24F3N3O3S2/c25-18-13-20(27)19(26)11-16(18)10-17(28)12-22(31)30-24(6-8-35(32,33)9-7-24)23-29-21(14-34-23)15-4-2-1-3-5-15/h1-5,11,13-14,17H,6-10,12,28H2,(H,30,31)/t17-/m1/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50401515
PNG
(CHEMBL2206488)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1ccccc1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C21H23F3N2O3S/c22-17-13-19(24)18(23)11-14(17)10-16(25)12-20(27)26-21(15-4-2-1-3-5-15)6-8-30(28,29)9-7-21/h1-5,11,13,16H,6-10,12,25H2,(H,26,27)/t16-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50401517
PNG
(CHEMBL2206475)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc(cs1)-c1ccccc1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C24H24F3N3O3S2/c25-18-13-20(27)19(26)11-16(18)10-17(28)12-22(31)30-24(6-8-35(32,33)9-7-24)23-29-21(14-34-23)15-4-2-1-3-5-15/h1-5,11,13-14,17H,6-10,12,28H2,(H,30,31)/t17-/m1/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50401519
PNG
(CHEMBL2203319)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1cccc(c1)-n1ccnc1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C24H25F3N4O3S/c25-20-14-22(27)21(26)11-16(20)10-18(28)13-23(32)30-24(4-8-35(33,34)9-5-24)17-2-1-3-19(12-17)31-7-6-29-15-31/h1-3,6-7,11-12,14-15,18H,4-5,8-10,13,28H2,(H,30,32)/t18-/m1/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50401519
PNG
(CHEMBL2203319)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1cccc(c1)-n1ccnc1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C24H25F3N4O3S/c25-20-14-22(27)21(26)11-16(20)10-18(28)13-23(32)30-24(4-8-35(33,34)9-5-24)17-2-1-3-19(12-17)31-7-6-29-15-31/h1-3,6-7,11-12,14-15,18H,4-5,8-10,13,28H2,(H,30,32)/t18-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50401518
PNG
(CHEMBL2206469)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1cccc(c1)-c1cncs1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C24H24F3N3O3S2/c25-19-12-21(27)20(26)10-16(19)9-18(28)11-23(31)30-24(4-6-35(32,33)7-5-24)17-3-1-2-15(8-17)22-13-29-14-34-22/h1-3,8,10,12-14,18H,4-7,9,11,28H2,(H,30,31)/t18-/m1/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50401515
PNG
(CHEMBL2206488)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1ccccc1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C21H23F3N2O3S/c22-17-13-19(24)18(23)11-14(17)10-16(25)12-20(27)26-21(15-4-2-1-3-5-15)6-8-30(28,29)9-7-21/h1-5,11,13,16H,6-10,12,25H2,(H,26,27)/t16-/m1/s1
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n/an/a 6.70E+3n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50401514
PNG
(CHEMBL2206476)
Show SMILES COc1cccc(c1)-c1csc(n1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1ccccc1F |r|
Show InChI InChI=1S/C25H28FN3O4S2/c1-33-20-7-4-6-18(14-20)22-16-34-24(28-22)25(9-11-35(31,32)12-10-25)29-23(30)15-19(27)13-17-5-2-3-8-21(17)26/h2-8,14,16,19H,9-13,15,27H2,1H3,(H,29,30)/t19-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50401517
PNG
(CHEMBL2206475)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc(cs1)-c1ccccc1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C24H24F3N3O3S2/c25-18-13-20(27)19(26)11-16(18)10-17(28)12-22(31)30-24(6-8-35(32,33)9-7-24)23-29-21(14-34-23)15-4-2-1-3-5-15/h1-5,11,13-14,17H,6-10,12,28H2,(H,30,31)/t17-/m1/s1
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n/an/a 7.70E+3n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50401514
PNG
(CHEMBL2206476)
Show SMILES COc1cccc(c1)-c1csc(n1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1ccccc1F |r|
Show InChI InChI=1S/C25H28FN3O4S2/c1-33-20-7-4-6-18(14-20)22-16-34-24(28-22)25(9-11-35(31,32)12-10-25)29-23(30)15-19(27)13-17-5-2-3-8-21(17)26/h2-8,14,16,19H,9-13,15,27H2,1H3,(H,29,30)/t19-/m1/s1
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n/an/a 8.60E+3n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50401512
PNG
(CHEMBL2206474)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc(cs1)-c1ccccc1)Cc1ccccc1F |r|
Show InChI InChI=1S/C24H26FN3O3S2/c25-20-9-5-4-8-18(20)14-19(26)15-22(29)28-24(10-12-33(30,31)13-11-24)23-27-21(16-32-23)17-6-2-1-3-7-17/h1-9,16,19H,10-15,26H2,(H,28,29)/t19-/m1/s1
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n/an/a 8.60E+3n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50401511
PNG
(CHEMBL2206482)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc(cs1)-c1ccc(F)cc1)Cc1ccccc1F |r|
Show InChI InChI=1S/C24H25F2N3O3S2/c25-18-7-5-16(6-8-18)21-15-33-23(28-21)24(9-11-34(31,32)12-10-24)29-22(30)14-19(27)13-17-3-1-2-4-20(17)26/h1-8,15,19H,9-14,27H2,(H,29,30)/t19-/m1/s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50275847
PNG
((R)-3-Amino-N-(1,1-dioxo-4-phenyl-hexahydro-1lambd...)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1ccccc1)Cc1ccccc1F |r|
Show InChI InChI=1S/C21H25FN2O3S/c22-19-9-5-4-6-16(19)14-18(23)15-20(25)24-21(17-7-2-1-3-8-17)10-12-28(26,27)13-11-21/h1-9,18H,10-15,23H2,(H,24,25)/t18-/m1/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50401511
PNG
(CHEMBL2206482)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc(cs1)-c1ccc(F)cc1)Cc1ccccc1F |r|
Show InChI InChI=1S/C24H25F2N3O3S2/c25-18-7-5-16(6-8-18)21-15-33-23(28-21)24(9-11-34(31,32)12-10-24)29-22(30)14-19(27)13-17-3-1-2-4-20(17)26/h1-8,15,19H,9-14,27H2,(H,29,30)/t19-/m1/s1
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n/an/a 9.20E+3n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50401512
PNG
(CHEMBL2206474)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc(cs1)-c1ccccc1)Cc1ccccc1F |r|
Show InChI InChI=1S/C24H26FN3O3S2/c25-20-9-5-4-8-18(20)14-19(26)15-22(29)28-24(10-12-33(30,31)13-11-24)23-27-21(16-32-23)17-6-2-1-3-7-17/h1-9,16,19H,10-15,26H2,(H,28,29)/t19-/m1/s1
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n/an/a 9.60E+3n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50401516
PNG
(CHEMBL2206471)
Show SMILES Cn1cncc1-c1cccc(c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1ccccc1F |r|
Show InChI InChI=1S/C25H29FN4O3S/c1-30-17-28-16-23(30)19-6-4-7-20(13-19)25(9-11-34(32,33)12-10-25)29-24(31)15-21(27)14-18-5-2-3-8-22(18)26/h2-8,13,16-17,21H,9-12,14-15,27H2,1H3,(H,29,31)/t21-/m1/s1
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n/an/a 1.12E+4n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50401515
PNG
(CHEMBL2206488)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1ccccc1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C21H23F3N2O3S/c22-17-13-19(24)18(23)11-14(17)10-16(25)12-20(27)26-21(15-4-2-1-3-5-15)6-8-30(28,29)9-7-21/h1-5,11,13,16H,6-10,12,25H2,(H,26,27)/t16-/m1/s1
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n/an/a 1.36E+4n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50401514
PNG
(CHEMBL2206476)
Show SMILES COc1cccc(c1)-c1csc(n1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1ccccc1F |r|
Show InChI InChI=1S/C25H28FN3O4S2/c1-33-20-7-4-6-18(14-20)22-16-34-24(28-22)25(9-11-35(31,32)12-10-25)29-23(30)15-19(27)13-17-5-2-3-8-21(17)26/h2-8,14,16,19H,9-13,15,27H2,1H3,(H,29,30)/t19-/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50401513
PNG
(CHEMBL2206487)
Show SMILES Cc1sc(nc1-c1ccccc1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1ccccc1F |r|
Show InChI InChI=1S/C25H28FN3O3S2/c1-17-23(18-7-3-2-4-8-18)28-24(33-17)25(11-13-34(31,32)14-12-25)29-22(30)16-20(27)15-19-9-5-6-10-21(19)26/h2-10,20H,11-16,27H2,1H3,(H,29,30)/t20-/m1/s1
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n/an/a 1.74E+4n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50401513
PNG
(CHEMBL2206487)
Show SMILES Cc1sc(nc1-c1ccccc1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1ccccc1F |r|
Show InChI InChI=1S/C25H28FN3O3S2/c1-17-23(18-7-3-2-4-8-18)28-24(33-17)25(11-13-34(31,32)14-12-25)29-22(30)16-20(27)15-19-9-5-6-10-21(19)26/h2-10,20H,11-16,27H2,1H3,(H,29,30)/t20-/m1/s1
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n/an/a 2.09E+4n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50401512
PNG
(CHEMBL2206474)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc(cs1)-c1ccccc1)Cc1ccccc1F |r|
Show InChI InChI=1S/C24H26FN3O3S2/c25-20-9-5-4-8-18(20)14-19(26)15-22(29)28-24(10-12-33(30,31)13-11-24)23-27-21(16-32-23)17-6-2-1-3-7-17/h1-9,16,19H,10-15,26H2,(H,28,29)/t19-/m1/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50275847
PNG
((R)-3-Amino-N-(1,1-dioxo-4-phenyl-hexahydro-1lambd...)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1ccccc1)Cc1ccccc1F |r|
Show InChI InChI=1S/C21H25FN2O3S/c22-19-9-5-4-6-16(19)14-18(23)15-20(25)24-21(17-7-2-1-3-8-17)10-12-28(26,27)13-11-21/h1-9,18H,10-15,23H2,(H,24,25)/t18-/m1/s1
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n/an/a 2.84E+4n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50401511
PNG
(CHEMBL2206482)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nc(cs1)-c1ccc(F)cc1)Cc1ccccc1F |r|
Show InChI InChI=1S/C24H25F2N3O3S2/c25-18-7-5-16(6-8-18)21-15-33-23(28-21)24(9-11-34(31,32)12-10-24)29-22(30)14-19(27)13-17-3-1-2-4-20(17)26/h1-8,15,19H,9-14,27H2,(H,29,30)/t19-/m1/s1
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n/an/a 2.94E+4n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50401516
PNG
(CHEMBL2206471)
Show SMILES Cn1cncc1-c1cccc(c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1ccccc1F |r|
Show InChI InChI=1S/C25H29FN4O3S/c1-30-17-28-16-23(30)19-6-4-7-20(13-19)25(9-11-34(32,33)12-10-25)29-24(31)15-21(27)14-18-5-2-3-8-22(18)26/h2-8,13,16-17,21H,9-12,14-15,27H2,1H3,(H,29,31)/t21-/m1/s1
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n/an/a 3.46E+4n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50275849
PNG
((R)-3-Amino-N-(1,1-dioxo-4-thiazol-2-yl-hexahydro-...)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nccs1)Cc1ccccc1F |r|
Show InChI InChI=1S/C18H22FN3O3S2/c19-15-4-2-1-3-13(15)11-14(20)12-16(23)22-18(17-21-7-8-26-17)5-9-27(24,25)10-6-18/h1-4,7-8,14H,5-6,9-12,20H2,(H,22,23)/t14-/m1/s1
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n/an/a 3.76E+4n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50401516
PNG
(CHEMBL2206471)
Show SMILES Cn1cncc1-c1cccc(c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1ccccc1F |r|
Show InChI InChI=1S/C25H29FN4O3S/c1-30-17-28-16-23(30)19-6-4-7-20(13-19)25(9-11-34(32,33)12-10-25)29-24(31)15-21(27)14-18-5-2-3-8-22(18)26/h2-8,13,16-17,21H,9-12,14-15,27H2,1H3,(H,29,31)/t21-/m1/s1
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n/an/a 4.54E+4n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50401513
PNG
(CHEMBL2206487)
Show SMILES Cc1sc(nc1-c1ccccc1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1ccccc1F |r|
Show InChI InChI=1S/C25H28FN3O3S2/c1-17-23(18-7-3-2-4-8-18)28-24(33-17)25(11-13-34(31,32)14-12-25)29-22(30)16-20(27)15-19-9-5-6-10-21(19)26/h2-10,20H,11-16,27H2,1H3,(H,29,30)/t20-/m1/s1
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n/an/a 4.54E+4n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50275849
PNG
((R)-3-Amino-N-(1,1-dioxo-4-thiazol-2-yl-hexahydro-...)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nccs1)Cc1ccccc1F |r|
Show InChI InChI=1S/C18H22FN3O3S2/c19-15-4-2-1-3-13(15)11-14(20)12-16(23)22-18(17-21-7-8-26-17)5-9-27(24,25)10-6-18/h1-4,7-8,14H,5-6,9-12,20H2,(H,22,23)/t14-/m1/s1
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n/an/a 4.58E+4n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50275847
PNG
((R)-3-Amino-N-(1,1-dioxo-4-phenyl-hexahydro-1lambd...)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1ccccc1)Cc1ccccc1F |r|
Show InChI InChI=1S/C21H25FN2O3S/c22-19-9-5-4-6-16(19)14-18(23)15-20(25)24-21(17-7-2-1-3-8-17)10-12-28(26,27)13-11-21/h1-9,18H,10-15,23H2,(H,24,25)/t18-/m1/s1
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n/an/a 4.90E+4n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50275849
PNG
((R)-3-Amino-N-(1,1-dioxo-4-thiazol-2-yl-hexahydro-...)
Show SMILES N[C@@H](CC(=O)NC1(CCS(=O)(=O)CC1)c1nccs1)Cc1ccccc1F |r|
Show InChI InChI=1S/C18H22FN3O3S2/c19-15-4-2-1-3-13(15)11-14(20)12-16(23)22-18(17-21-7-8-26-17)5-9-27(24,25)10-6-18/h1-4,7-8,14H,5-6,9-12,20H2,(H,22,23)/t14-/m1/s1
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n/an/a 8.52E+4n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of QPP


Bioorg Med Chem Lett 22: 7036-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.099
BindingDB Entry DOI: 10.7270/Q2DV1M17
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%