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Compile Data Set for Download or QSAR

Found 492 hits with Last Name = 'parker' and Initial = 'jc'   
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 IV


(Rattus norvegicus (rat))
BDBM50338518
PNG
(1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r|
Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma


Bioorg Med Chem Lett 21: 1810-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.055
BindingDB Entry DOI: 10.7270/Q28W3DM7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338518
PNG
(1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r|
Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/m0/s1
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14n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 21: 1810-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.055
BindingDB Entry DOI: 10.7270/Q28W3DM7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50140541
PNG
((S)-2-Amino-2-cyclohexyl-1-(3,3-difluoro-pyrrolidi...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC(F)(F)C1 |r|
Show InChI InChI=1S/C12H20F2N2O/c13-12(14)6-7-16(8-12)11(17)10(15)9-4-2-1-3-5-9/h9-10H,1-8,15H2/t10-/m0/s1
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28n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity


Bioorg Med Chem Lett 15: 4770-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50140527
PNG
((S)-2-Amino-2-cyclohexyl-1-((S)-3-fluoro-pyrrolidi...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CC[C@H](F)C1
Show InChI InChI=1S/C12H21FN2O/c13-10-6-7-15(8-10)12(16)11(14)9-4-2-1-3-5-9/h9-11H,1-8,14H2/t10-,11-/m0/s1
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56n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity


Bioorg Med Chem Lett 15: 4770-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50172141
PNG
((S)-2-Amino-2-cyclohexyl-1-(3,4-difluoro-pyrrolidi...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CC(F)C(F)C1
Show InChI InChI=1S/C12H20F2N2O/c13-9-6-16(7-10(9)14)12(17)11(15)8-4-2-1-3-5-8/h8-11H,1-7,15H2/t9?,10?,11-/m0/s1
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61n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory constant against Dipeptidylpeptidase IV calculated from IC50 from standard dose inhibition curve using cheng-Prussoff equation; range=61+/...


Bioorg Med Chem Lett 15: 4770-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50172144
PNG
((S)-2-Amino-2-cyclohexyl-1-(2,3,4,5-tetrafluoro-py...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1C(F)C(F)C(F)C1F
Show InChI InChI=1S/C12H18F4N2O/c13-7-8(14)11(16)18(10(7)15)12(19)9(17)6-4-2-1-3-5-6/h6-11H,1-5,17H2/t7?,8?,9-,10?,11?/m0/s1
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81n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity


Bioorg Med Chem Lett 15: 4770-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50172143
PNG
((S)-2-Amino-2-cyclohexyl-1-(3-fluoro-azetidin-1-yl...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CC(F)C1
Show InChI InChI=1S/C11H19FN2O/c12-9-6-14(7-9)11(15)10(13)8-4-2-1-3-5-8/h8-10H,1-7,13H2/t10-/m0/s1
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109n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity


Bioorg Med Chem Lett 15: 4770-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50172139
PNG
((S)-2-Amino-2-cyclohexyl-1-(3,3-difluoro-azetidin-...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CC(F)(F)C1
Show InChI InChI=1S/C11H18F2N2O/c12-11(13)6-15(7-11)10(16)9(14)8-4-2-1-3-5-8/h8-9H,1-7,14H2/t9-/m0/s1
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117n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity


Bioorg Med Chem Lett 15: 4770-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM12191
PNG
((2S)-2-amino-2-cyclohexyl-1-(pyrrolidin-1-yl)ethan...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C12H22N2O/c13-11(10-6-2-1-3-7-10)12(15)14-8-4-5-9-14/h10-11H,1-9,13H2/t11-/m0/s1
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121n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity


Bioorg Med Chem Lett 15: 4770-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50140539
PNG
((S)-2-Amino-2-cyclohexyl-1-((R)-3-fluoro-pyrrolidi...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CC[C@@H](F)C1
Show InChI InChI=1S/C12H21FN2O/c13-10-6-7-15(8-10)12(16)11(14)9-4-2-1-3-5-9/h9-11H,1-8,14H2/t10-,11+/m1/s1
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128n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity


Bioorg Med Chem Lett 15: 4770-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50172145
PNG
((S)-2-Amino-2-cyclohexyl-1-((3R,4R)-3,4-difluoro-p...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1C[C@@H](F)[C@H](F)C1
Show InChI InChI=1S/C12H20F2N2O/c13-9-6-16(7-10(9)14)12(17)11(15)8-4-2-1-3-5-8/h8-11H,1-7,15H2/t9-,10-,11+/m1/s1
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504n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity


Bioorg Med Chem Lett 15: 4770-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50172140
PNG
((S)-2-Amino-2-cyclohexyl-1-((3S,4S)-3,4-difluoro-p...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1C[C@H](F)[C@@H](F)C1
Show InChI InChI=1S/C12H20F2N2O/c13-9-6-16(7-10(9)14)12(17)11(15)8-4-2-1-3-5-8/h8-11H,1-7,15H2/t9-,10-,11-/m0/s1
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1.27E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity


Bioorg Med Chem Lett 15: 4770-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50172142
PNG
((S)-2-Amino-1-azetidin-1-yl-2-cyclohexyl-ethanone ...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC1
Show InChI InChI=1S/C11H20N2O/c12-10(9-5-2-1-3-6-9)11(14)13-7-4-8-13/h9-10H,1-8,12H2/t10-/m0/s1
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3.35E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory constant against Dipeptidylpeptidase IV activity


Bioorg Med Chem Lett 15: 4770-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.026
BindingDB Entry DOI: 10.7270/Q28K78M0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50338518
PNG
(1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r|
Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/m0/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 21: 1810-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.055
BindingDB Entry DOI: 10.7270/Q28W3DM7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase III


(Homo sapiens (Human))
BDBM50338518
PNG
(1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r|
Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/m0/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP3


Bioorg Med Chem Lett 21: 1810-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.055
BindingDB Entry DOI: 10.7270/Q28W3DM7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50338518
PNG
(1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r|
Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/m0/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP2


Bioorg Med Chem Lett 21: 1810-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.055
BindingDB Entry DOI: 10.7270/Q28W3DM7
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50338518
PNG
(1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r|
Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/m0/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of FAP


Bioorg Med Chem Lett 21: 1810-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.055
BindingDB Entry DOI: 10.7270/Q28W3DM7
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50338518
PNG
(1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r|
Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/m0/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of POP


Bioorg Med Chem Lett 21: 1810-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.055
BindingDB Entry DOI: 10.7270/Q28W3DM7
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (Human))
BDBM50390333
PNG
(CHEMBL2070733)
Show SMILES Nc1nc(nc2n(C[C@H]3CN(Cc4nccs4)CCO3)nnc12)C1CC1 |r|
Show InChI InChI=1S/C16H20N8OS/c17-14-13-16(20-15(19-14)10-1-2-10)24(22-21-13)8-11-7-23(4-5-25-11)9-12-18-3-6-26-12/h3,6,10-11H,1-2,4-5,7-9H2,(H2,17,19,20)/t11-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226096
PNG
(4-(((3R,4R)-3-amino-4-((2R)-2-cyanocyclopentanecar...)
Show SMILES Cc1cc(CN2C[C@H](N)[C@@H](C2)C(=O)C2CCC[C@H]2C#N)cc(C)c1C#N |w:13.13|
Show InChI InChI=1S/C21H26N4O/c1-13-6-15(7-14(2)18(13)9-23)10-25-11-19(20(24)12-25)21(26)17-5-3-4-16(17)8-22/h6-7,16-17,19-20H,3-5,10-12,24H2,1-2H3/t16-,17?,19+,20-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (Human))
BDBM50390334
PNG
(CHEMBL2070735)
Show SMILES Cc1nc(N)c2nnn(C[C@H]3CN(Cc4nccs4)CCO3)c2n1 |r|
Show InChI InChI=1S/C14H18N8OS/c1-9-17-13(15)12-14(18-9)22(20-19-12)7-10-6-21(3-4-23-10)8-11-16-2-5-24-11/h2,5,10H,3-4,6-8H2,1H3,(H2,15,17,18)/t10-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226064
PNG
(4-(((3R,4R)-3-amino-4-((2R)-2-cyanocyclopentanecar...)
Show SMILES Cc1cc(CN2C[C@H](N)[C@@H](C2)C(=O)C2CCC[C@H]2C#N)ccc1C#N |w:13.13|
Show InChI InChI=1S/C20H24N4O/c1-13-7-14(5-6-15(13)8-21)10-24-11-18(19(23)12-24)20(25)17-4-2-3-16(17)9-22/h5-7,16-19H,2-4,10-12,23H2,1H3/t16-,17?,18+,19-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338507
PNG
((3R,4S)-1-(6-(6,7-dihydroisoxazolo[4,3-c]pyridin-5...)
Show SMILES N[C@H]1CN(C[C@@H]1c1ccccc1)c1cc(ncn1)N1CCc2nocc2C1 |r|
Show InChI InChI=1S/C20H22N6O/c21-17-11-26(10-16(17)14-4-2-1-3-5-14)20-8-19(22-13-23-20)25-7-6-18-15(9-25)12-27-24-18/h1-5,8,12-13,16-17H,6-7,9-11,21H2/t16-,17+/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 21: 1810-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.055
BindingDB Entry DOI: 10.7270/Q28W3DM7
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (Human))
BDBM50390332
PNG
(CHEMBL2070732)
Show SMILES Nc1nc(nc2n(C[C@H]3CN(Cc4ccccn4)CCO3)nnc12)C(F)(F)F |r|
Show InChI InChI=1S/C16H17F3N8O/c17-16(18,19)15-22-13(20)12-14(23-15)27(25-24-12)9-11-8-26(5-6-28-11)7-10-3-1-2-4-21-10/h1-4,11H,5-9H2,(H2,20,22,23)/t11-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (Human))
BDBM50390334
PNG
(CHEMBL2070735)
Show SMILES Cc1nc(N)c2nnn(C[C@H]3CN(Cc4nccs4)CCO3)c2n1 |r|
Show InChI InChI=1S/C14H18N8OS/c1-9-17-13(15)12-14(18-9)22(20-19-12)7-10-6-21(3-4-23-10)8-11-16-2-5-24-11/h2,5,10H,3-4,6-8H2,1H3,(H2,15,17,18)/t10-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8A


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226086
PNG
((S)-1-((3R,4R)-1-(4-cyanobenzyl)-3-aminopyrrolidin...)
Show SMILES N[C@H]1CN(Cc2ccc(cc2)C#N)C[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C18H21N5O/c19-8-13-3-5-14(6-4-13)10-22-11-16(17(21)12-22)18(24)23-7-1-2-15(23)9-20/h3-6,15-17H,1-2,7,10-12,21H2/t15-,16+,17-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226077
PNG
((3S,4S)-4-amino-3-(pyrrolidine-1-carbonyl)-1-(quin...)
Show SMILES N[C@@H]1CN(C(=O)c2cnc3ccccc3n2)C(=O)[C@@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C18H19N5O3/c19-11-10-23(18(26)15(11)17(25)22-7-3-4-8-22)16(24)14-9-20-12-5-1-2-6-13(12)21-14/h1-2,5-6,9,11,15H,3-4,7-8,10,19H2/t11-,15+/m1/s1
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n/an/a>3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226093
PNG
((1R)-2-((3R,4R)-1-(1-(4-(1H-1,2,4-triazol-1-yl)phe...)
Show SMILES CC(N1C[C@H](N)[C@@H](C1)C(=O)C1CCC[C@H]1C#N)c1ccc(cc1)-n1cncn1 |w:10.10,1.0|
Show InChI InChI=1S/C21H26N6O/c1-14(15-5-7-17(8-6-15)27-13-24-12-25-27)26-10-19(20(23)11-26)21(28)18-4-2-3-16(18)9-22/h5-8,12-14,16,18-20H,2-4,10-11,23H2,1H3/t14?,16-,18?,19+,20-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226065
PNG
((S)-1-((3R,4R)-1-(4-(1H-1,2,4-triazol-1-yl)benzyl)...)
Show SMILES N[C@H]1CN(Cc2ccc(cc2)-n2cncn2)C[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H23N7O/c20-8-16-2-1-7-25(16)19(27)17-10-24(11-18(17)21)9-14-3-5-15(6-4-14)26-13-22-12-23-26/h3-6,12-13,16-18H,1-2,7,9-11,21H2/t16-,17+,18-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226067
PNG
((S)-1-((3R,4R)-1-(4-(1-methyl-1H-pyrazol-5-yl)benz...)
Show SMILES Cn1nccc1-c1ccc(CN2C[C@H](N)[C@@H](C2)C(=O)N2CCC[C@H]2C#N)cc1
Show InChI InChI=1S/C21H26N6O/c1-25-20(8-9-24-25)16-6-4-15(5-7-16)12-26-13-18(19(23)14-26)21(28)27-10-2-3-17(27)11-22/h4-9,17-19H,2-3,10,12-14,23H2,1H3/t17-,18+,19-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226078
PNG
(1-((3R,4R)-3-amino-4-((2R)-2-cyanocyclopentanecarb...)
Show SMILES N[C@H]1CN(C[C@H]1C(=O)C1CCC[C@H]1C#N)C1CCc2cc(ccc12)C#N |w:8.8,15.16|
Show InChI InChI=1S/C21H24N4O/c22-9-13-4-6-16-14(8-13)5-7-20(16)25-11-18(19(24)12-25)21(26)17-3-1-2-15(17)10-23/h4,6,8,15,17-20H,1-3,5,7,11-12,24H2/t15-,17?,18+,19-,20?/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226074
PNG
((1R)-2-((3R,4R)-3-amino-1-(chroman-4-yl)pyrrolidin...)
Show SMILES N[C@H]1CN(C[C@H]1C(=O)C1CCC[C@H]1C#N)C1CCOc2ccccc12 |w:8.8,15.16|
Show InChI InChI=1S/C20H25N3O2/c21-10-13-4-3-6-14(13)20(24)16-11-23(12-17(16)22)18-8-9-25-19-7-2-1-5-15(18)19/h1-2,5,7,13-14,16-18H,3-4,6,8-9,11-12,22H2/t13-,14?,16+,17-,18?/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226084
PNG
((S)-1-((3R,4R)-1-(3-cyano-4-fluorobenzyl)-3-aminop...)
Show SMILES N[C@H]1CN(Cc2ccc(F)c(c2)C#N)C[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C18H20FN5O/c19-16-4-3-12(6-13(16)7-20)9-23-10-15(17(22)11-23)18(25)24-5-1-2-14(24)8-21/h3-4,6,14-15,17H,1-2,5,9-11,22H2/t14-,15+,17-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (Human))
BDBM50390373
PNG
(CHEMBL2070914)
Show SMILES Nc1nc(nc2n(CC3OCCc4ccccc34)nnc12)C1CC1
Show InChI InChI=1S/C17H18N6O/c18-15-14-17(20-16(19-15)11-5-6-11)23(22-21-14)9-13-12-4-2-1-3-10(12)7-8-24-13/h1-4,11,13H,5-9H2,(H2,18,19,20)
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n/an/a 3.63n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226076
PNG
((1R)-2-((3R,4R)-1-(2-methyl-4-(1H-1,2,4-triazol-1-...)
Show SMILES Cc1cc(ccc1CN1C[C@H](N)[C@@H](C1)C(=O)C1CCC[C@H]1C#N)-n1cncn1 |w:16.17|
Show InChI InChI=1S/C21H26N6O/c1-14-7-17(27-13-24-12-25-27)6-5-16(14)9-26-10-19(20(23)11-26)21(28)18-4-2-3-15(18)8-22/h5-7,12-13,15,18-20H,2-4,9-11,23H2,1H3/t15-,18?,19+,20-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50278106
PNG
((R)-(4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)pip...)
Show SMILES Cc1cc2ncc(C(=O)N3CCC(CC3)[C@H](N)Cc3cc(F)c(F)cc3F)c(C)n2n1 |r|
Show InChI InChI=1S/C22H24F3N5O/c1-12-7-21-27-11-16(13(2)30(21)28-12)22(31)29-5-3-14(4-6-29)20(26)9-15-8-18(24)19(25)10-17(15)23/h7-8,10-11,14,20H,3-6,9,26H2,1-2H3/t20-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 19: 2220-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.099
BindingDB Entry DOI: 10.7270/Q2RN37QF
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (Human))
BDBM50390335
PNG
(CHEMBL2070736)
Show SMILES CCc1csc(CN2CCO[C@@H](Cn3nnc4c(N)nc(C)nc34)C2)n1 |r|
Show InChI InChI=1S/C16H22N8OS/c1-3-11-9-26-13(20-11)8-23-4-5-25-12(6-23)7-24-16-14(21-22-24)15(17)18-10(2)19-16/h9,12H,3-8H2,1-2H3,(H2,17,18,19)/t12-/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE8B expressed in Sf9 insect cells


Bioorg Med Chem Lett 22: 5721-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.079
BindingDB Entry DOI: 10.7270/Q2J67J0X
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226102
PNG
(4-(((3R,4R)-3-amino-4-((2R)-2-cyanocyclopentanecar...)
Show SMILES CCc1cc(CN2C[C@H](N)[C@@H](C2)C(=O)C2CCC[C@H]2C#N)cc(CC)c1C#N |w:14.14|
Show InChI InChI=1S/C23H30N4O/c1-3-16-8-15(9-17(4-2)20(16)11-25)12-27-13-21(22(26)14-27)23(28)19-7-5-6-18(19)10-24/h8-9,18-19,21-22H,3-7,12-14,26H2,1-2H3/t18-,19?,21+,22-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50249516
PNG
(CHEMBL514011 | cis-2-(4-((3S,5S)-5-(3,3-difluoropy...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccc1C#N |r|
Show InChI InChI=1S/C19H24F2N6O/c20-19(21)3-5-27(13-19)18(28)16-10-15(12-24-16)25-6-8-26(9-7-25)17-14(11-22)2-1-4-23-17/h1-2,4,15-16,24H,3,5-10,12-13H2/t15-,16-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 19: 1991-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.041
BindingDB Entry DOI: 10.7270/Q2FB52S4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM15494
PNG
(3-{6-[(3R,4S)-3-amino-4-(2,4,5-trifluorophenyl)pyr...)
Show SMILES N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1cccc(c1)C(O)=O |r|
Show InChI InChI=1S/C21H17F3N4O2/c22-15-6-17(24)16(23)5-13(15)14-8-28(9-18(14)25)20-7-19(26-10-27-20)11-2-1-3-12(4-11)21(29)30/h1-7,10,14,18H,8-9,25H2,(H,29,30)/t14-,18+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4


Bioorg Med Chem Lett 17: 5638-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.081
BindingDB Entry DOI: 10.7270/Q2319WRX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50249515
PNG
(CHEMBL474410 | cis-(3,3-difluoropyrrolidin-1-yl)((...)
Show SMILES FC(F)(F)c1ccc(nc1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCC(F)(F)C1 |r|
Show InChI InChI=1S/C19H24F5N5O/c20-18(21)3-4-29(12-18)17(30)15-9-14(11-25-15)27-5-7-28(8-6-27)16-2-1-13(10-26-16)19(22,23)24/h1-2,10,14-15,25H,3-9,11-12H2/t14-,15-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 19: 1991-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.041
BindingDB Entry DOI: 10.7270/Q2FB52S4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50249548
PNG
(CHEMBL475586 | cis-(3,3-difluoropyrrolidin-1-yl)((...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nc2cccnc2o1 |r|
Show InChI InChI=1S/C19H24F2N6O2/c20-19(21)3-5-27(12-19)17(28)15-10-13(11-23-15)25-6-8-26(9-7-25)18-24-14-2-1-4-22-16(14)29-18/h1-2,4,13,15,23H,3,5-12H2/t13-,15-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 19: 1991-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.041
BindingDB Entry DOI: 10.7270/Q2FB52S4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226092
PNG
((1R,3S)-2-((3R,4R)-1-(4-(5-methyl-1,3,4-oxadiazol-...)
Show SMILES Cc1nnc(o1)-c1ccc(CN2C[C@H](N)[C@@H](C2)C(=O)C2[C@@H](F)CC[C@H]2C#N)cc1 |w:19.20|
Show InChI InChI=1S/C21H24FN5O2/c1-12-25-26-21(29-12)14-4-2-13(3-5-14)9-27-10-16(18(24)11-27)20(28)19-15(8-23)6-7-17(19)22/h2-5,15-19H,6-7,9-11,24H2,1H3/t15-,16+,17-,18-,19?/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226066
PNG
((S)-1-((3R,4R)-1-(4-(3-methyl-1H-1,2,4-triazol-1-y...)
Show SMILES Cc1ncn(n1)-c1ccc(CN2C[C@H](N)[C@@H](C2)C(=O)N2CCC[C@H]2C#N)cc1
Show InChI InChI=1S/C20H25N7O/c1-14-23-13-27(24-14)16-6-4-15(5-7-16)10-25-11-18(19(22)12-25)20(28)26-8-2-3-17(26)9-21/h4-7,13,17-19H,2-3,8,10-12,22H2,1H3/t17-,18+,19-/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226075
PNG
((S)-1-((3R,4R)-1-(4-(2H-1,2,3-triazol-2-yl)benzyl)...)
Show SMILES N[C@H]1CN(Cc2ccc(cc2)-n2nccn2)C[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H23N7O/c20-10-16-2-1-9-25(16)19(27)17-12-24(13-18(17)21)11-14-3-5-15(6-4-14)26-22-7-8-23-26/h3-8,16-18H,1-2,9,11-13,21H2/t16-,17+,18-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226088
PNG
((S)-1-((3R,4R)-3-amino-1-(1-(4-cyanophenyl)ethyl)p...)
Show SMILES CC(N1C[C@H](N)[C@@H](C1)C(=O)N1CCC[C@H]1C#N)c1ccc(cc1)C#N |w:1.0|
Show InChI InChI=1S/C19H23N5O/c1-13(15-6-4-14(9-20)5-7-15)23-11-17(18(22)12-23)19(25)24-8-2-3-16(24)10-21/h4-7,13,16-18H,2-3,8,11-12,22H2,1H3/t13?,16-,17+,18-/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50249514
PNG
(CHEMBL474409 | cis-(3,3-difluoropyrrolidin-1-yl)((...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1cnccn1 |r|
Show InChI InChI=1S/C17H24F2N6O/c18-17(19)1-4-25(12-17)16(26)14-9-13(10-22-14)23-5-7-24(8-6-23)15-11-20-2-3-21-15/h2-3,11,13-14,22H,1,4-10,12H2/t13-,14-/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 19: 1991-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.041
BindingDB Entry DOI: 10.7270/Q2FB52S4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50249513
PNG
(CHEMBL475574 | cis-(3,3-difluoropyrrolidin-1-yl)((...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nc2cnccc2o1 |r|
Show InChI InChI=1S/C19H24F2N6O2/c20-19(21)2-4-27(12-19)17(28)14-9-13(10-23-14)25-5-7-26(8-6-25)18-24-15-11-22-3-1-16(15)29-18/h1,3,11,13-14,23H,2,4-10,12H2/t13-,14-/m0/s1
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n/an/a 5.80n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human plasma DPP4


Bioorg Med Chem Lett 19: 1991-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.041
BindingDB Entry DOI: 10.7270/Q2FB52S4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50226080
PNG
((S)-1-((3R,4R)-3-amino-1-(quinolin-3-ylmethyl)pyrr...)
Show SMILES N[C@H]1CN(Cc2cnc3ccccc3c2)C[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H23N5O/c21-9-16-5-3-7-25(16)20(26)17-12-24(13-18(17)22)11-14-8-15-4-1-2-6-19(15)23-10-14/h1-2,4,6,8,10,16-18H,3,5,7,11-13,22H2/t16-,17+,18-/m0/s1
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n/an/a 6.20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50221073
PNG
((3R,4S)-1-(6-(6-methoxypyridin-3-yl)pyrimidin-4-yl...)
Show SMILES COc1ccc(cn1)-c1cc(ncn1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H18F3N5O/c1-29-20-3-2-11(7-25-20)18-6-19(27-10-26-18)28-8-13(17(24)9-28)12-4-15(22)16(23)5-14(12)21/h2-7,10,13,17H,8-9,24H2,1H3/t13-,17+/m1/s1
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n/an/a 6.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4


Bioorg Med Chem Lett 17: 5638-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.081
BindingDB Entry DOI: 10.7270/Q2319WRX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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