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PubMed code 21320777

Compile Data Set for Download or QSAR

Found 375 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))
BDBM50338432
PNG
((R)-1-(1-(5-(aminooxycarbonyl)pyridin-3-yl)piperid...)
Show SMILES NOC(=O)c1cncc(c1)N1CCC(CC1)[C@H](N)Cc1cc(F)ccc1F
Show InChI InChI=1/C19H22F2N4O2/c20-15-1-2-17(21)13(7-15)9-18(22)12-3-5-25(6-4-12)16-8-14(10-24-11-16)19(26)27-23/h1-2,7-8,10-12,18H,3-6,9,22-23H2/t18-/s2
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(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
Show InChI InChI=1/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-/s2
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338439
PNG
(3-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)pipe...)
Show SMILES N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)C1CCCC(C1)C(N)=O
Show InChI InChI=1/C20H29F2N3O/c21-16-4-5-18(22)15(10-16)12-19(23)13-6-8-25(9-7-13)17-3-1-2-14(11-17)20(24)26/h4-5,10,13-14,17,19H,1-3,6-9,11-12,23H2,(H2,24,26)/t14?,17?,19-/s2
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n/an/a 21n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50140533
PNG
(CHEMBL25211 | N-[4-((S)-1-Amino-2-oxo-2-thiazolidi...)
Show SMILES N[C@@H]([C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCSC1
Show InChI InChI=1S/C18H24F3N3O4S2/c19-18(20,21)28-14-5-7-15(8-6-14)30(26,27)23-13-3-1-12(2-4-13)16(22)17(25)24-9-10-29-11-24/h5-8,12-13,16,23H,1-4,9-11,22H2/t12-,13-,16-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338440
PNG
(CHEMBL1682974 | trans-N-(4-((S)-1-amino-2-oxo-2-(t...)
Show SMILES N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCSC1
Show InChI InChI=1/C19H24F3N3O3S/c20-19(21,22)28-15-7-3-13(4-8-15)17(26)24-14-5-1-12(2-6-14)16(23)18(27)25-9-10-29-11-25/h3-4,7-8,12,14,16H,1-2,5-6,9-11,23H2,(H,24,26)/t12-,14-,16-/s2
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n/an/a 33n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338458
PNG
(CHEMBL1683092 | trans-N-(4-((R)-1-amino-2-(2,5-dif...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1c(C)noc1C
Show InChI InChI=1/C21H29F2N3O3S/c1-4-26(30(27,28)21-13(2)25-29-14(21)3)18-8-5-15(6-9-18)20(24)12-16-11-17(22)7-10-19(16)23/h7,10-11,15,18,20H,4-6,8-9,12,24H2,1-3H3/t15-,18-,20-/s2
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n/an/a 38n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338438
PNG
(3-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)pipe...)
Show SMILES N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)C1CCCC(C1)C(O)=O
Show InChI InChI=1/C20H28F2N2O2/c21-16-4-5-18(22)15(10-16)12-19(23)13-6-8-24(9-7-13)17-3-1-2-14(11-17)20(25)26/h4-5,10,13-14,17,19H,1-3,6-9,11-12,23H2,(H,25,26)/t14?,17?,19-/s2
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n/an/a 51n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338437
PNG
(CHEMBL1683143 | methyl 3-(4-((R)-1-amino-2-(2,5-di...)
Show SMILES COC(=O)C1CCCC(C1)N1CCC(CC1)[C@H](N)Cc1cc(F)ccc1F
Show InChI InChI=1/C21H30F2N2O2/c1-27-21(26)15-3-2-4-18(12-15)25-9-7-14(8-10-25)20(24)13-16-11-17(22)5-6-19(16)23/h5-6,11,14-15,18,20H,2-4,7-10,12-13,24H2,1H3/t15?,18?,20-/s2
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n/an/a 54n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338457
PNG
(CHEMBL1683091 | trans-N-(4-((R)-1-amino-2-(2,5-dif...)
Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1c(C)noc1C
Show InChI InChI=1/C20H27F2N3O3S/c1-12-20(13(2)28-24-12)29(26,27)25(3)17-7-4-14(5-8-17)19(23)11-15-10-16(21)6-9-18(15)22/h6,9-10,14,17,19H,4-5,7-8,11,23H2,1-3H3/t14-,17-,19-/s2
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n/an/a 55n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338413
PNG
(CHEMBL1683119 | trans-1-(4-((R)-1-amino-2-(2,5-dif...)
Show SMILES N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@@H](CC1)N1CCCC(C1)C(N)=O
Show InChI InChI=1/C20H29F2N3O/c21-16-5-8-18(22)15(10-16)11-19(23)13-3-6-17(7-4-13)25-9-1-2-14(12-25)20(24)26/h5,8,10,13-14,17,19H,1-4,6-7,9,11-12,23H2,(H2,24,26)/t13-,14?,17-,19-/s2
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n/an/a 57n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338415
PNG
(CHEMBL1683121 | trans-(R)-1-(4-((R)-1-amino-2-(2,5...)
Show SMILES N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@@H](CC1)N1CCC[C@H](C1)C(N)=O
Show InChI InChI=1/C20H29F2N3O/c21-16-5-8-18(22)15(10-16)11-19(23)13-3-6-17(7-4-13)25-9-1-2-14(12-25)20(24)26/h5,8,10,13-14,17,19H,1-4,6-7,9,11-12,23H2,(H2,24,26)/t13-,14-,17-,19-/s2
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n/an/a 70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338429
PNG
((R)-2-(2,5-difluorophenyl)-1-(1-(2,6-dimethylpyrid...)
Show SMILES Cc1ccc(N2CCC(CC2)[C@H](N)Cc2cc(F)ccc2F)c(C)n1
Show InChI InChI=1/C20H25F2N3/c1-13-3-6-20(14(2)24-13)25-9-7-15(8-10-25)19(23)12-16-11-17(21)4-5-18(16)22/h3-6,11,15,19H,7-10,12,23H2,1-2H3/t19-/s2
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n/an/a 71n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338436
PNG
((R)-5-(4-(1-amino-2-(2,5-difluorophenyl)ethyl)pipe...)
Show SMILES N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1cnc(=O)[nH]c1
Show InChI InChI=1/C17H20F2N4O/c18-13-1-2-15(19)12(7-13)8-16(20)11-3-5-23(6-4-11)14-9-21-17(24)22-10-14/h1-2,7,9-11,16H,3-6,8,20H2,(H,21,22,24)/t16-/s2
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n/an/a 72n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338434
PNG
((R)-2-(2,5-difluorophenyl)-1-(1-(pyrimidin-5-yl)pi...)
Show SMILES N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1cncnc1
Show InChI InChI=1/C17H20F2N4/c18-14-1-2-16(19)13(7-14)8-17(20)12-3-5-23(6-4-12)15-9-21-11-22-10-15/h1-2,7,9-12,17H,3-6,8,20H2/t17-/s2
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n/an/a 75n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338428
PNG
((R)-5-(4-(1-amino-2-(2,5-difluorophenyl)ethyl)pipe...)
Show SMILES N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1cncc(c1)C#N
Show InChI InChI=1/C19H20F2N4/c20-16-1-2-18(21)15(8-16)9-19(23)14-3-5-25(6-4-14)17-7-13(10-22)11-24-12-17/h1-2,7-8,11-12,14,19H,3-6,9,23H2/t19-/s2
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n/an/a 77n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338435
PNG
((R)-2-(2,5-difluorophenyl)-1-(1-(2-methoxypyrimidi...)
Show SMILES COc1ncc(cn1)N1CCC(CC1)[C@H](N)Cc1cc(F)ccc1F
Show InChI InChI=1/C18H22F2N4O/c1-25-18-22-10-15(11-23-18)24-6-4-12(5-7-24)17(21)9-13-8-14(19)2-3-16(13)20/h2-3,8,10-12,17H,4-7,9,21H2,1H3/t17-/s2
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n/an/a 78n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338431
PNG
((R)-ethyl 5-(4-(1-amino-2-(2,5-difluorophenyl)ethy...)
Show SMILES CCOC(=O)c1cncc(c1)N1CCC(CC1)[C@H](N)Cc1cc(F)ccc1F
Show InChI InChI=1/C21H25F2N3O2/c1-2-28-21(27)16-10-18(13-25-12-16)26-7-5-14(6-8-26)20(24)11-15-9-17(22)3-4-19(15)23/h3-4,9-10,12-14,20H,2,5-8,11,24H2,1H3/t20-/s2
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n/an/a 82n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338448
PNG
(CHEMBL1682982 | trans-4-(N-(4-((R)-1-amino-2-(2,5-...)
Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccc(cc1)C(N)=O
Show InChI InChI=1/C22H27F2N3O3S/c1-27(31(29,30)19-9-4-15(5-10-19)22(26)28)18-7-2-14(3-8-18)21(25)13-16-12-17(23)6-11-20(16)24/h4-6,9-12,14,18,21H,2-3,7-8,13,25H2,1H3,(H2,26,28)/t14-,18-,21-/s2
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n/an/a 84n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338443
PNG
(CHEMBL1682977 | trans-N-(4-((R)-1-amino-2-(2,5-dif...)
Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1cccc(c1)C#N
Show InChI InChI=1/C22H25F2N3O2S/c1-27(30(28,29)20-4-2-3-15(11-20)14-25)19-8-5-16(6-9-19)22(26)13-17-12-18(23)7-10-21(17)24/h2-4,7,10-12,16,19,22H,5-6,8-9,13,26H2,1H3/t16-,19-,22-/s2
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n/an/a 85n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338451
PNG
(CHEMBL1682985 | trans-N-(4-((R)-1-amino-2-(2,5-dif...)
Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccc(cc1)-c1csnn1
Show InChI InChI=1/C23H26F2N4O2S2/c1-29(33(30,31)20-9-4-16(5-10-20)23-14-32-28-27-23)19-7-2-15(3-8-19)22(26)13-17-12-18(24)6-11-21(17)25/h4-6,9-12,14-15,19,22H,2-3,7-8,13,26H2,1H3/t15-,19-,22-/s2
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n/an/a 94n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338447
PNG
(CHEMBL1682981 | trans-3-(N-(4-((R)-1-amino-2-(2,5-...)
Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1cccc(c1)C(N)=O
Show InChI InChI=1/C22H27F2N3O3S/c1-27(31(29,30)19-4-2-3-15(12-19)22(26)28)18-8-5-14(6-9-18)21(25)13-16-11-17(23)7-10-20(16)24/h2-4,7,10-12,14,18,21H,5-6,8-9,13,25H2,1H3,(H2,26,28)/t14-,18-,21-/s2
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n/an/a 99n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338455
PNG
(CHEMBL1683089 | trans-N-(5-(N-(4-((R)-1-amino-2-(2...)
Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1sc(NC(C)=O)nc1C
Show InChI InChI=1/C21H28F2N4O3S2/c1-12-20(31-21(25-12)26-13(2)28)32(29,30)27(3)17-7-4-14(5-8-17)19(24)11-15-10-16(22)6-9-18(15)23/h6,9-10,14,17,19H,4-5,7-8,11,24H2,1-3H3,(H,25,26,28)/t14-,17-,19-/s2
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338405
PNG
(CHEMBL1683112 | trans-N-(4-((R)-1-amino-2-(2,5-dif...)
Show SMILES CC(=O)N(CCCC(F)(F)F)[C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F
Show InChI InChI=1/C20H27F5N2O/c1-13(28)27(10-2-9-20(23,24)25)17-6-3-14(4-7-17)19(26)12-15-11-16(21)5-8-18(15)22/h5,8,11,14,17,19H,2-4,6-7,9-10,12,26H2,1H3/t14-,17-,19-/s2
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338430
PNG
((R)-2-(2,5-difluorophenyl)-1-(1-(6-fluoropyridin-3...)
Show SMILES N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1ccc(F)nc1
Show InChI InChI=1/C18H20F3N3/c19-14-1-3-16(20)13(9-14)10-17(22)12-5-7-24(8-6-12)15-2-4-18(21)23-11-15/h1-4,9,11-12,17H,5-8,10,22H2/t17-/s2
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338426
PNG
((R)-2-(2,5-difluorophenyl)-1-(1-(pyridin-3-yl)pipe...)
Show SMILES N[C@H](Cc1cc(F)ccc1F)C1CCN(CC1)c1cccnc1
Show InChI InChI=1/C18H21F2N3/c19-15-3-4-17(20)14(10-15)11-18(21)13-5-8-23(9-6-13)16-2-1-7-22-12-16/h1-4,7,10,12-13,18H,5-6,8-9,11,21H2/t18-/s2
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338467
PNG
(CHEMBL1683101 | trans-N-(4-((R)-1-amino-2-(2,5-dif...)
Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)C(C)(C)C
Show InChI InChI=1/C20H30F2N2O/c1-20(2,3)19(25)24(4)16-8-5-13(6-9-16)18(23)12-14-11-15(21)7-10-17(14)22/h7,10-11,13,16,18H,5-6,8-9,12,23H2,1-4H3/t13-,16-,18-/s2
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338404
PNG
(CHEMBL1683111 | trans-N-(4-((R)-1-amino-2-(2,5-dif...)
Show SMILES CC(=O)N(Cc1ccccc1)[C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F
Show InChI InChI=1/C23H28F2N2O/c1-16(28)27(15-17-5-3-2-4-6-17)21-10-7-18(8-11-21)23(26)14-19-13-20(24)9-12-22(19)25/h2-6,9,12-13,18,21,23H,7-8,10-11,14-15,26H2,1H3/t18-,21-,23-/s2
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338442
PNG
(CHEMBL1682976 | trans-N-(4-((R)-1-amino-2-(2,5-dif...)
Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccccc1C(F)(F)F
Show InChI InChI=1/C22H25F5N2O2S/c1-29(32(30,31)21-5-3-2-4-18(21)22(25,26)27)17-9-6-14(7-10-17)20(28)13-15-12-16(23)8-11-19(15)24/h2-5,8,11-12,14,17,20H,6-7,9-10,13,28H2,1H3/t14-,17-,20-/s2
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338456
PNG
(CHEMBL1683090 | trans-N-(4-((R)-1-amino-2-(2,5-dif...)
Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1cccnc1
Show InChI InChI=1/C20H25F2N3O2S/c1-25(28(26,27)18-3-2-10-24-13-18)17-7-4-14(5-8-17)20(23)12-15-11-16(21)6-9-19(15)22/h2-3,6,9-11,13-14,17,20H,4-5,7-8,12,23H2,1H3/t14-,17-,20-/s2
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338473
PNG
(CHEMBL1683107 | trans-N-(4-((R)-1-amino-2-(2,5-dif...)
Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1/C24H27F2N3O/c1-29(24(30)20-14-28-23-5-3-2-4-19(20)23)18-9-6-15(7-10-18)22(27)13-16-12-17(25)8-11-21(16)26/h2-5,8,11-12,14-15,18,22,28H,6-7,9-10,13,27H2,1H3/t15-,18-,22-/s2
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338471
PNG
(CHEMBL1683105 | trans-N-(4-((R)-1-amino-2-(2,5-dif...)
Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)c1csnn1
Show InChI InChI=1/C18H22F2N4OS/c1-24(18(25)17-10-26-23-22-17)14-5-2-11(3-6-14)16(21)9-12-8-13(19)4-7-15(12)20/h4,7-8,10-11,14,16H,2-3,5-6,9,21H2,1H3/t11-,14-,16-/s2
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338464
PNG
(CHEMBL1683098 | trans-N-(4-((R)-1-amino-2-(2,5-dif...)
Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(C)=O
Show InChI InChI=1/C17H24F2N2O/c1-11(22)21(2)15-6-3-12(4-7-15)17(20)10-13-9-14(18)5-8-16(13)19/h5,8-9,12,15,17H,3-4,6-7,10,20H2,1-2H3/t12-,15-,17-/s2
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338472
PNG
(CHEMBL1683106 | trans-N-(4-((R)-1-amino-2-(2,5-dif...)
Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)c1ccno1
Show InChI InChI=1/C19H23F2N3O2/c1-24(19(25)18-8-9-23-26-18)15-5-2-12(3-6-15)17(22)11-13-10-14(20)4-7-16(13)21/h4,7-10,12,15,17H,2-3,5-6,11,22H2,1H3/t12-,15-,17-/s2
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338466
PNG
(CHEMBL1683100 | trans-N-(4-((R)-1-amino-2-(2,5-dif...)
Show SMILES CC(C)C(=O)N(C)[C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F
Show InChI InChI=1/C19H28F2N2O/c1-12(2)19(24)23(3)16-7-4-13(5-8-16)18(22)11-14-10-15(20)6-9-17(14)21/h6,9-10,12-13,16,18H,4-5,7-8,11,22H2,1-3H3/t13-,16-,18-/s2
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n/an/a 130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338424
PNG
((R)-2-(2,5-difluorophenyl)-1-(1-(methylsulfonyl)pi...)
Show SMILES CS(=O)(=O)N1CCC(CC1)[C@H](N)Cc1cc(F)ccc1F
Show InChI InChI=1/C14H20F2N2O2S/c1-21(19,20)18-6-4-10(5-7-18)14(17)9-11-8-12(15)2-3-13(11)16/h2-3,8,10,14H,4-7,9,17H2,1H3/t14-/s2
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n/an/a 130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338450
PNG
(CHEMBL1682984 | trans-N-(4-((R)-1-amino-2-(2,5-dif...)
Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccc(cc1)-c1cnco1
Show InChI InChI=1/C24H27F2N3O3S/c1-29(33(30,31)21-9-4-17(5-10-21)24-14-28-15-32-24)20-7-2-16(3-8-20)23(27)13-18-12-19(25)6-11-22(18)26/h4-6,9-12,14-16,20,23H,2-3,7-8,13,27H2,1H3/t16-,20-,23-/s2
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n/an/a 130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338474
PNG
(CHEMBL1683108 | trans-N-(4-((R)-1-amino-2-(2,5-dif...)
Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)c1c(C)noc1C
Show InChI InChI=1/C21H27F2N3O2/c1-12-20(13(2)28-25-12)21(27)26(3)17-7-4-14(5-8-17)19(24)11-15-10-16(22)6-9-18(15)23/h6,9-10,14,17,19H,4-5,7-8,11,24H2,1-3H3/t14-,17-,19-/s2
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n/an/a 140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338469
PNG
(CHEMBL1683103 | trans-4-((4-((R)-1-amino-2-(2,5-di...)
Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)CCC(O)=O
Show InChI InChI=1/C19H26F2N2O3/c1-23(18(24)8-9-19(25)26)15-5-2-12(3-6-15)17(22)11-13-10-14(20)4-7-16(13)21/h4,7,10,12,15,17H,2-3,5-6,8-9,11,22H2,1H3,(H,25,26)/t12-,15-,17-/s2
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n/an/a 140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338445
PNG
(CHEMBL1682979 | trans-4-amino-N-(4-((R)-1-amino-2-...)
Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1/C21H27F2N3O2S/c1-26(29(27,28)19-9-5-17(24)6-10-19)18-7-2-14(3-8-18)21(25)13-15-12-16(22)4-11-20(15)23/h4-6,9-12,14,18,21H,2-3,7-8,13,24-25H2,1H3/t14-,18-,21-/s2
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n/an/a 140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338475
PNG
(CHEMBL1683109 | trans-N-(4-((R)-1-amino-2-(2,5-dif...)
Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)c1ccn(C)n1
Show InChI InChI=1/C20H26F2N4O/c1-25-10-9-19(24-25)20(27)26(2)16-6-3-13(4-7-16)18(23)12-14-11-15(21)5-8-17(14)22/h5,8-11,13,16,18H,3-4,6-7,12,23H2,1-2H3/t13-,16-,18-/s2
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n/an/a 140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338470
PNG
(CHEMBL1683104 | trans-N-(4-((R)-1-amino-2-(2,5-dif...)
Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)c1cccnc1
Show InChI InChI=1/C21H25F2N3O/c1-26(21(27)15-3-2-10-25-13-15)18-7-4-14(5-8-18)20(24)12-16-11-17(22)6-9-19(16)23/h2-3,6,9-11,13-14,18,20H,4-5,7-8,12,24H2,1H3/t14-,18-,20-/s2
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n/an/a 140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338441
PNG
(CHEMBL1682975 | trans-N-(4-((R)-1-amino-2-(2,5-dif...)
Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccccc1
Show InChI InChI=1/C21H26F2N2O2S/c1-25(28(26,27)19-5-3-2-4-6-19)18-10-7-15(8-11-18)21(24)14-16-13-17(22)9-12-20(16)23/h2-6,9,12-13,15,18,21H,7-8,10-11,14,24H2,1H3/t15-,18-,21-/s2
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n/an/a 140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338449
PNG
(CHEMBL1682983 | trans-N-(4-((R)-1-amino-2-(2,5-dif...)
Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccc(F)cc1F
Show InChI InChI=1/C21H24F4N2O2S/c1-27(30(28,29)21-9-5-16(23)12-19(21)25)17-6-2-13(3-7-17)20(26)11-14-10-15(22)4-8-18(14)24/h4-5,8-10,12-13,17,20H,2-3,6-7,11,26H2,1H3/t13-,17-,20-/s2
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n/an/a 150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50338440
PNG
(CHEMBL1682974 | trans-N-(4-((S)-1-amino-2-oxo-2-(t...)
Show SMILES N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCSC1
Show InChI InChI=1/C19H24F3N3O3S/c20-19(21,22)28-15-7-3-13(4-8-15)17(26)24-14-5-1-12(2-6-14)16(23)18(27)25-9-10-29-11-25/h3-4,7-8,12,14,16H,1-2,5-6,9-11,23H2,(H,24,26)/t12-,14-,16-/s2
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n/an/a 170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338454
PNG
(CHEMBL1683088 | trans-N-(4-((R)-1-amino-2-(2,5-dif...)
Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1cnoc1C
Show InChI InChI=1/C19H25F2N3O3S/c1-12-19(11-23-27-12)28(25,26)24(2)16-6-3-13(4-7-16)18(22)10-14-9-15(20)5-8-17(14)21/h5,8-9,11,13,16,18H,3-4,6-7,10,22H2,1-2H3/t13-,16-,18-/s2
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n/an/a 170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338444
PNG
(CHEMBL1682978 | trans-N-(4-((R)-1-amino-2-(2,5-dif...)
Show SMILES CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1/C22H25F2N3O2S/c1-27(30(28,29)20-9-2-15(14-25)3-10-20)19-7-4-16(5-8-19)22(26)13-17-12-18(23)6-11-21(17)24/h2-3,6,9-12,16,19,22H,4-5,7-8,13,26H2,1H3/t16-,19-,22-/s2
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n/an/a 180n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338414
PNG
(CHEMBL1683120 | trans-(S)-1-(4-((R)-1-amino-2-(2,5...)
Show SMILES N[C@H](Cc1cc(F)ccc1F)[C@H]1CC[C@@H](CC1)N1CCC[C@@H](C1)C(N)=O
Show InChI InChI=1/C20H29F2N3O/c21-16-5-8-18(22)15(10-16)11-19(23)13-3-6-17(7-4-13)25-9-1-2-14(12-25)20(24)26/h5,8,10,13-14,17,19H,1-4,6-7,9,11-12,23H2,(H2,24,26)/t13-,14-,17-,19+/s2
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n/an/a 200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338420
PNG
(CHEMBL1683126 | trans-3-(((4-((R)-1-amino-2-(2,5-d...)
Show SMILES CN(Cc1cccc(c1)C#N)[C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F
Show InChI InChI=1/C23H27F2N3/c1-28(15-17-4-2-3-16(11-17)14-26)21-8-5-18(6-9-21)23(27)13-19-12-20(24)7-10-22(19)25/h2-4,7,10-12,18,21,23H,5-6,8-9,13,15,27H2,1H3/t18-,21-,23-/s2
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n/an/a 220n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338476
PNG
(CHEMBL1683110 | trans-N-(4-((R)-1-amino-2-(2,5-dif...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(C)=O
Show InChI InChI=1/C18H26F2N2O/c1-3-22(12(2)23)16-7-4-13(5-8-16)18(21)11-14-10-15(19)6-9-17(14)20/h6,9-10,13,16,18H,3-5,7-8,11,21H2,1-2H3/t13-,16-,18-/s2
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n/an/a 260n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338461
PNG
(CHEMBL1683095 | trans-N-(4-((R)-1-amino-2-(2,5-dif...)
Show SMILES CCN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(C)(=O)=O
Show InChI InChI=1/C17H26F2N2O2S/c1-3-21(24(2,22)23)15-7-4-12(5-8-15)17(20)11-13-10-14(18)6-9-16(13)19/h6,9-10,12,15,17H,3-5,7-8,11,20H2,1-2H3/t12-,15-,17-/s2
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n/an/a 260n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 1880-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.060
BindingDB Entry DOI: 10.7270/Q2SX6DJG
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%