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Compile Data Set for Download or QSAR

Found 517 hits with Last Name = 'treadway' and Initial = 'jl'   
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 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 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
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
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
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
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50118009
PNG
((6,7-Diethoxy-quinazolin-4-yl)-(3-thiazol-2-yl-phe...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3nccs3)c2cc1OCC
Show InChI InChI=1S/C21H20N4O2S/c1-3-26-18-11-16-17(12-19(18)27-4-2)23-13-24-20(16)25-15-7-5-6-14(10-15)21-22-8-9-28-21/h5-13H,3-4H2,1-2H3,(H,23,24,25)
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n/an/a 2n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase


J Med Chem 45: 3865-77 (2002)


BindingDB Entry DOI: 10.7270/Q2PN94Z0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50117952
PNG
((6,7-Diethoxy-quinazolin-4-yl)-(3-furan-2-yl-pheny...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3ccco3)c2cc1OCC
Show InChI InChI=1S/C22H21N3O3/c1-3-26-20-12-17-18(13-21(20)27-4-2)23-14-24-22(17)25-16-8-5-7-15(11-16)19-9-6-10-28-19/h5-14H,3-4H2,1-2H3,(H,23,24,25)
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n/an/a 3n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase


J Med Chem 45: 3865-77 (2002)


BindingDB Entry DOI: 10.7270/Q2PN94Z0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50095256
PNG
((6,7-Dimethoxy-quinazolin-4-yl)-(3-ethynyl-4-fluor...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(c3)C#C)c2cc1OC
Show InChI InChI=1S/C18H14FN3O2/c1-4-11-7-12(5-6-14(11)19)22-18-13-8-16(23-2)17(24-3)9-15(13)20-10-21-18/h1,5-10H,2-3H3,(H,20,21,22)
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n/an/a 4n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase


J Med Chem 45: 3865-77 (2002)


BindingDB Entry DOI: 10.7270/Q2PN94Z0
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))
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))
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))
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
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM39807
PNG
(CP-526,423)
Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)NCCOCCOCCNC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C25H27ClN4O4/c1-16-2-4-20-17(12-16)14-22(29-20)24(31)27-6-8-33-10-11-34-9-7-28-25(32)23-15-18-13-19(26)3-5-21(18)30-23/h2-5,12-15,29-30H,6-11H2,1H3,(H,27,31)(H,28,32)
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n/an/a 6n/an/an/an/a7.222



Pfizer Inc



Assay Description
Human liver glycogen phsphorylase (HLGP) activity was measured in the direction of glycogen synthesis by the release of phosphate from glucose-1-phos...


Chem Biol 7: 677-82 (2000)


BindingDB Entry DOI: 10.7270/Q2H41PT2
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)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50249512
PNG
(CHEMBL475573 | cis-(3,3-difluoropyrrolidin-1-yl)((...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nc2ccncc2o1 |r|
Show InChI InChI=1S/C19H24F2N6O2/c20-19(21)2-4-27(12-19)17(28)15-9-13(10-23-15)25-5-7-26(8-6-25)18-24-14-1-3-22-11-16(14)29-18/h1,3,11,13,15,23H,2,4-10,12H2/t13-,15-/m0/s1
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n/an/a 7.40n/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))
BDBM50249481
PNG
(CHEMBL515597 | cis-((2S,4S)-4-(4-(benzo[d]oxazol-2...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nc2ccccc2o1 |r|
Show InChI InChI=1S/C20H25F2N5O2/c21-20(22)5-6-27(13-20)18(28)16-11-14(12-23-16)25-7-9-26(10-8-25)19-24-15-3-1-2-4-17(15)29-19/h1-4,14,16,23H,5-13H2/t14-,16-/m0/s1
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n/an/a 8.20n/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))
BDBM50338517
PNG
(1-((3S,4S)-4-amino-1-(6-(3,3-difluoropyrrolidin-1-...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1cc(ncn1)N1CCC(F)(F)C1 |r|
Show InChI InChI=1S/C17H22F4N6O/c18-16(19)2-1-15(28)27(9-16)12-7-26(6-11(12)22)14-5-13(23-10-24-14)25-4-3-17(20,21)8-25/h5,10-12H,1-4,6-9,22H2/t11-,12-/m0/s1
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n/an/a 8.40n/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))
BDBM50249480
PNG
(CHEMBL475246 | cis-((2S,4S)-4-(4-(benzo[d]isoxazol...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1noc2ccccc12 |r|
Show InChI InChI=1S/C20H25F2N5O2/c21-20(22)5-6-27(13-20)19(28)16-11-14(12-23-16)25-7-9-26(10-8-25)18-15-3-1-2-4-17(15)29-24-18/h1-4,14,16,23H,5-13H2/t14-,16-/m0/s1
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n/an/a 8.70n/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))
BDBM50249479
PNG
(2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carb...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1 |r|
Show InChI InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1
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n/an/a 11n/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
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50117986
PNG
((6,7-Diethoxy-quinazolin-4-yl)-[3-(1H-pyrazol-3-yl...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3cc[nH]n3)c2cc1OCC
Show InChI InChI=1S/C21H21N5O2/c1-3-27-19-11-16-18(12-20(19)28-4-2)22-13-23-21(16)25-15-7-5-6-14(10-15)17-8-9-24-26-17/h5-13H,3-4H2,1-2H3,(H,24,26)(H,22,23,25)
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n/an/a 11n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase


J Med Chem 45: 3865-77 (2002)


BindingDB Entry DOI: 10.7270/Q2PN94Z0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50117983
PNG
((6,7-Diethoxy-quinazolin-4-yl)-(3-thiazol-5-yl-phe...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3cncs3)c2cc1OCC
Show InChI InChI=1S/C21H20N4O2S/c1-3-26-18-9-16-17(10-19(18)27-4-2)23-12-24-21(16)25-15-7-5-6-14(8-15)20-11-22-13-28-20/h5-13H,3-4H2,1-2H3,(H,23,24,25)
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n/an/a 11n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase


J Med Chem 45: 3865-77 (2002)


BindingDB Entry DOI: 10.7270/Q2PN94Z0
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50158278
PNG
(5-Chloro-1H-indole-2-carboxylic acid {[(1,1-dioxo-...)
Show SMILES OCCN(C1CCS(=O)(=O)CC1)C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C18H22ClN3O5S/c19-13-1-2-15-12(9-13)10-16(21-15)18(25)20-11-17(24)22(5-6-23)14-3-7-28(26,27)8-4-14/h1-2,9-10,14,21,23H,3-8,11H2,(H,20,25)
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n/an/a 12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycogen phosphorylase


Bioorg Med Chem Lett 15: 459-65 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.048
BindingDB Entry DOI: 10.7270/Q26W99K6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338509
PNG
(1-((3S,4S)-4-amino-1-(6-(6,7-dihydroisoxazolo[4,3-...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CCCCC1=O)c1cc(ncn1)N1CCc2nocc2C1 |r|
Show InChI InChI=1S/C19H25N7O2/c20-14-9-25(10-16(14)26-5-2-1-3-19(26)27)18-7-17(21-12-22-18)24-6-4-15-13(8-24)11-28-23-15/h7,11-12,14,16H,1-6,8-10,20H2/t14-,16-/m0/s1
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n/an/a 12n/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))
BDBM50338519
PNG
(1-((3S,4S)-4-amino-1-(6-(3,3-difluoropyrrolidin-1-...)
Show SMILES Cc1nc(cc(n1)N1C[C@H](N)[C@H](C1)N1CC(F)(F)CCC1=O)N1CCC(F)(F)C1 |r|
Show InChI InChI=1S/C18H24F4N6O/c1-11-24-14(26-5-4-18(21,22)9-26)6-15(25-11)27-7-12(23)13(8-27)28-10-17(19,20)3-2-16(28)29/h6,12-13H,2-5,7-10,23H2,1H3/t12-,13-/m0/s1
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n/an/a 13n/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 IV


(Rattus norvegicus (rat))
BDBM50249479
PNG
(2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carb...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1 |r|
Show InChI InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of rat 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
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50249552
PNG
(CHEMBL474421 | cis-((3S,4R)-3,4-difluoropyrrolidin...)
Show SMILES F[C@H]1CN(C[C@H]1F)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1 |r|
Show InChI InChI=1S/C17H24F2N6O/c18-13-10-25(11-14(13)19)16(26)15-8-12(9-22-15)23-4-6-24(7-5-23)17-20-2-1-3-21-17/h1-3,12-15,22H,4-11H2/t12-,13-,14+,15-/m0/s1
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n/an/a 13n/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))
BDBM15492
PNG
((3R,4S)-1-(6-phenylpyrimidin-4-yl)-4-(2,4,5-triflu...)
Show SMILES N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1ccccc1 |r|
Show InChI InChI=1S/C20H17F3N4/c21-15-7-17(23)16(22)6-13(15)14-9-27(10-18(14)24)20-8-19(25-11-26-20)12-4-2-1-3-5-12/h1-8,11,14,18H,9-10,24H2/t14-,18+/m1/s1
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n/an/a 13n/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))
BDBM50249479
PNG
(2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carb...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1 |r|
Show InChI InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 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
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338504
PNG
((3R,4S)-4-phenyl-1-(6-(2,3,5-trifluorophenyl)pyrim...)
Show SMILES N[C@H]1CN(C[C@@H]1c1ccccc1)c1cc(ncn1)-c1cc(F)cc(F)c1F |r|
Show InChI InChI=1S/C20H17F3N4/c21-13-6-14(20(23)16(22)7-13)18-8-19(26-11-25-18)27-9-15(17(24)10-27)12-4-2-1-3-5-12/h1-8,11,15,17H,9-10,24H2/t15-,17+/m1/s1
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n/an/a 13n/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))
BDBM50221085
PNG
((3R,4S)-1-(6-(3-fluorophenyl)pyrimidin-4-yl)-4-(2,...)
Show SMILES N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1cccc(F)c1
Show InChI InChI=1S/C20H16F4N4/c21-12-3-1-2-11(4-12)19-7-20(27-10-26-19)28-8-14(18(25)9-28)13-5-16(23)17(24)6-15(13)22/h1-7,10,14,18H,8-9,25H2/t14-,18+/m1/s1
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n/an/a 14n/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))
BDBM50221102
PNG
(CHEMBL236719 | N-(3-(6-((3R,4S)-3-amino-4-(2,4,5-t...)
Show SMILES CC(=O)Nc1cccc(c1)-c1cc(ncn1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C22H20F3N5O/c1-12(31)29-14-4-2-3-13(5-14)21-8-22(28-11-27-21)30-9-16(20(26)10-30)15-6-18(24)19(25)7-17(15)23/h2-8,11,16,20H,9-10,26H2,1H3,(H,29,31)/t16-,20+/m1/s1
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n/an/a 14n/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
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50158249
PNG
(5-Chloro-1H-indole-2-carboxylic acid {[cyclopentyl...)
Show SMILES CC(O)CN(C1CCCC1)C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C19H24ClN3O3/c1-12(24)11-23(15-4-2-3-5-15)18(25)10-21-19(26)17-9-13-8-14(20)6-7-16(13)22-17/h6-9,12,15,22,24H,2-5,10-11H2,1H3,(H,21,26)
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycogen phosphorylase


Bioorg Med Chem Lett 15: 459-65 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.048
BindingDB Entry DOI: 10.7270/Q26W99K6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50117970
PNG
((6,7-Diethoxy-quinazolin-4-yl)-(3-thiazol-4-yl-phe...)
Show SMILES CCOc1cc2ncnc(Nc3cccc(c3)-c3cscn3)c2cc1OCC
Show InChI InChI=1S/C21H20N4O2S/c1-3-26-19-9-16-17(10-20(19)27-4-2)22-12-23-21(16)25-15-7-5-6-14(8-15)18-11-28-13-24-18/h5-13H,3-4H2,1-2H3,(H,22,23,25)
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n/an/a 18n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase


J Med Chem 45: 3865-77 (2002)


BindingDB Entry DOI: 10.7270/Q2PN94Z0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50221075
PNG
(1-(3-(6-((3R,4S)-3-amino-4-(2,4,5-trifluorophenyl)...)
Show SMILES CC(=O)c1cccc(c1)-c1cc(ncn1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C22H19F3N4O/c1-12(30)13-3-2-4-14(5-13)21-8-22(28-11-27-21)29-9-16(20(26)10-29)15-6-18(24)19(25)7-17(15)23/h2-8,11,16,20H,9-10,26H2,1H3/t16-,20+/m1/s1
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n/an/a 19n/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))
BDBM50338510
PNG
(6-((3R,4S)-3-amino-4-phenylpyrrolidin-1-yl)-N-cycl...)
Show SMILES N[C@H]1CN(C[C@@H]1c1ccccc1)c1cc(NC2CC2)ncn1 |r|
Show InChI InChI=1S/C17H21N5/c18-15-10-22(9-14(15)12-4-2-1-3-5-12)17-8-16(19-11-20-17)21-13-6-7-13/h1-5,8,11,13-15H,6-7,9-10,18H2,(H,19,20,21)/t14-,15+/m1/s1
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n/an/a 19n/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))
BDBM15492
PNG
((3R,4S)-1-(6-phenylpyrimidin-4-yl)-4-(2,4,5-triflu...)
Show SMILES N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1ccccc1 |r|
Show InChI InChI=1S/C20H17F3N4/c21-15-7-17(23)16(22)6-13(15)14-9-27(10-18(14)24)20-8-19(25-11-26-20)12-4-2-1-3-5-12/h1-8,11,14,18H,9-10,24H2/t14-,18+/m1/s1
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n/an/a 21n/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))
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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n/an/a 23n/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))
BDBM50249098
PNG
(CHEMBL515869 | cis-((2S,4S)-4-(4-(pyrimidin-2-yl)p...)
Show SMILES FC1(F)CN(CC1(F)F)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1 |r|
Show InChI InChI=1S/C17H22F4N6O/c18-16(19)10-27(11-17(16,20)21)14(28)13-8-12(9-24-13)25-4-6-26(7-5-25)15-22-2-1-3-23-15/h1-3,12-13,24H,4-11H2/t12-,13-/m0/s1
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n/an/a 25n/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))
BDBM50338515
PNG
(1-((3S,4S)-4-amino-1-(6-(3,3-difluoropyrrolidin-1-...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CCCCC1=O)c1cc(ncn1)N1CCC(F)(F)C1 |r|
Show InChI InChI=1S/C17H24F2N6O/c18-17(19)4-6-23(10-17)14-7-15(22-11-21-14)24-8-12(20)13(9-24)25-5-2-1-3-16(25)26/h7,11-13H,1-6,8-10,20H2/t12-,13-/m0/s1
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n/an/a 26n/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
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50158255
PNG
(5-Chloro-1H-indole-2-carboxylic acid {[cycloheptyl...)
Show SMILES OCCN(C1CCCCCC1)C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C20H26ClN3O3/c21-15-7-8-17-14(11-15)12-18(23-17)20(27)22-13-19(26)24(9-10-25)16-5-3-1-2-4-6-16/h7-8,11-12,16,23,25H,1-6,9-10,13H2,(H,22,27)
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n/an/a 30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycogen phosphorylase


Bioorg Med Chem Lett 15: 459-65 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.048
BindingDB Entry DOI: 10.7270/Q26W99K6
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50158254
PNG
(5-Chloro-1H-indole-2-carboxylic acid [(cyanomethyl...)
Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)NCC(=O)N(CC#N)C1CCCC1
Show InChI InChI=1S/C18H19ClN4O2/c19-13-5-6-15-12(9-13)10-16(22-15)18(25)21-11-17(24)23(8-7-20)14-3-1-2-4-14/h5-6,9-10,14,22H,1-4,8,11H2,(H,21,25)
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n/an/a 30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycogen phosphorylase


Bioorg Med Chem Lett 15: 459-65 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.048
BindingDB Entry DOI: 10.7270/Q26W99K6
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50249549
PNG
(CHEMBL473418 | cis-((2S,4S)-4-(4-(pyrimidin-2-yl)p...)
Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1)N1CCCC1 |r|
Show InChI InChI=1S/C17H26N6O/c24-16(22-6-1-2-7-22)15-12-14(13-20-15)21-8-10-23(11-9-21)17-18-4-3-5-19-17/h3-5,14-15,20H,1-2,6-13H2/t14-,15-/m0/s1
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n/an/a 31n/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))
BDBM50249551
PNG
(CHEMBL514623 | cis-((S)-3-fluoropyrrolidin-1-yl)((...)
Show SMILES F[C@H]1CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1 |r|
Show InChI InChI=1S/C17H25FN6O/c18-13-2-5-24(12-13)16(25)15-10-14(11-21-15)22-6-8-23(9-7-22)17-19-3-1-4-20-17/h1,3-4,13-15,21H,2,5-12H2/t13-,14-,15-/m0/s1
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n/an/a 31n/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))
BDBM50221083
PNG
((3R,4S)-1-(6-(pyridin-3-yl)pyrimidin-4-yl)-4-(2,4,...)
Show SMILES N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1cccnc1
Show InChI InChI=1S/C19H16F3N5/c20-14-5-16(22)15(21)4-12(14)13-8-27(9-17(13)23)19-6-18(25-10-26-19)11-2-1-3-24-7-11/h1-7,10,13,17H,8-9,23H2/t13-,17+/m1/s1
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n/an/a 31n/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
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50158283
PNG
(5-Chloro-1H-indole-2-carboxylic acid {[cyclooctyl-...)
Show SMILES OCCN(C1CCCCCCC1)C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C21H28ClN3O3/c22-16-8-9-18-15(12-16)13-19(24-18)21(28)23-14-20(27)25(10-11-26)17-6-4-2-1-3-5-7-17/h8-9,12-13,17,24,26H,1-7,10-11,14H2,(H,23,28)
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n/an/a 32n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycogen phosphorylase


Bioorg Med Chem Lett 15: 459-65 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.048
BindingDB Entry DOI: 10.7270/Q26W99K6
More data for this
Ligand-Target Pair
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