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Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'boyer' and Initial = 'da'   
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
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 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
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
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))
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 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))
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))
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))
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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338516
PNG
(1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CCCCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r|
Show InChI InChI=1S/C16H23F2N7O/c17-16(18)4-6-23(9-16)14-20-10-21-15(22-14)24-7-11(19)12(8-24)25-5-2-1-3-13(25)26/h10-12H,1-9,19H2/t11-,12-/m0/s1
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n/an/a 37n/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))
BDBM50338513
PNG
(1-((3S,4S)-4-amino-1-(6-(6-methoxypyridin-3-yl)pyr...)
Show SMILES COc1ccc(cn1)-c1cc(ncn1)N1C[C@H](N)[C@H](C1)N1CCCCC1=O |r|
Show InChI InChI=1S/C19H24N6O2/c1-27-18-6-5-13(9-21-18)15-8-17(23-12-22-15)24-10-14(20)16(11-24)25-7-3-2-4-19(25)26/h5-6,8-9,12,14,16H,2-4,7,10-11,20H2,1H3/t14-,16-/m0/s1
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n/an/a 39n/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))
BDBM50338506
PNG
(1-((3S,4S)-4-amino-1-(6-(2,4,5-trifluorophenyl)pyr...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CCCCC1=O)c1cc(ncn1)-c1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C19H20F3N5O/c20-12-6-14(22)13(21)5-11(12)16-7-18(25-10-24-16)26-8-15(23)17(9-26)27-4-2-1-3-19(27)28/h5-7,10,15,17H,1-4,8-9,23H2/t15-,17-/m0/s1
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n/an/a 47n/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))
BDBM50338514
PNG
(1-((3S,4S)-4-amino-1-(4-phenyl-1,3,5-triazin-2-yl)...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CCCCC1=O)c1ncnc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C18H22N6O/c19-14-10-23(11-15(14)24-9-5-4-8-16(24)25)18-21-12-20-17(22-18)13-6-2-1-3-7-13/h1-3,6-7,12,14-15H,4-5,8-11,19H2/t14-,15-/m0/s1
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n/an/a 59n/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))
BDBM50338512
PNG
(1-((3S,4S)-4-amino-1-(6-(cyclopropylamino)pyrimidi...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CCCCC1=O)c1cc(NC2CC2)ncn1 |r|
Show InChI InChI=1S/C16H24N6O/c17-12-8-21(9-13(12)22-6-2-1-3-16(22)23)15-7-14(18-10-19-15)20-11-4-5-11/h7,10-13H,1-6,8-9,17H2,(H,18,19,20)/t12-,13-/m0/s1
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n/an/a 74n/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))
BDBM50338508
PNG
((3'S,4'S)-4'-amino-1'-(6-(6,7-dihydroisoxazolo[4,3...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CCCC1=O)c1cc(ncn1)N1CCc2nocc2C1 |r|
Show InChI InChI=1S/C18H23N7O2/c19-13-8-24(9-15(13)25-4-1-2-18(25)26)17-6-16(20-11-21-17)23-5-3-14-12(7-23)10-27-22-14/h6,10-11,13,15H,1-5,7-9,19H2/t13-,15-/m0/s1
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n/an/a 153n/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))
BDBM50338505
PNG
((3'S,4'S)-4'-amino-1'-(6-(2,4,5-trifluorophenyl)py...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CCCC1=O)c1cc(ncn1)-c1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C18H18F3N5O/c19-11-5-13(21)12(20)4-10(11)15-6-17(24-9-23-15)25-7-14(22)16(8-25)26-3-1-2-18(26)27/h4-6,9,14,16H,1-3,7-8,22H2/t14-,16-/m0/s1
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n/an/a 488n/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))
BDBM50338511
PNG
((3'S,4'S)-4'-amino-1'-(6-(cyclopropylamino)pyrimid...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CCCC1=O)c1cc(NC2CC2)ncn1 |r|
Show InChI InChI=1S/C15H22N6O/c16-11-7-20(8-12(11)21-5-1-2-15(21)22)14-6-13(17-9-18-14)19-10-3-4-10/h6,9-12H,1-5,7-8,16H2,(H,17,18,19)/t11-,12-/m0/s1
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n/an/a 1.40E+3n/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 VIII


(Homo sapiens (Human))
BDBM50338513
PNG
(1-((3S,4S)-4-amino-1-(6-(6-methoxypyridin-3-yl)pyr...)
Show SMILES COc1ccc(cn1)-c1cc(ncn1)N1C[C@H](N)[C@H](C1)N1CCCCC1=O |r|
Show InChI InChI=1S/C19H24N6O2/c1-27-18-6-5-13(9-21-18)15-8-17(23-12-22-15)24-10-14(20)16(11-24)25-7-3-2-4-19(25)26/h5-6,8-9,12,14,16H,2-4,7,10-11,20H2,1H3/t14-,16-/m0/s1
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n/an/a 1.14E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP8


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
Cytochrome P450 2D6 (2D6)


(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>1.50E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


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
Cytochrome P450 2C9


(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>1.50E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


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
Cytochrome P450 1A


(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>1.50E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


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
Cytochrome P450 3A


(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>1.50E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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 VIII


(Homo sapiens (Human))
BDBM50338514
PNG
(1-((3S,4S)-4-amino-1-(4-phenyl-1,3,5-triazin-2-yl)...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CCCCC1=O)c1ncnc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C18H22N6O/c19-14-10-23(11-15(14)24-9-5-4-8-16(24)25)18-21-12-20-17(22-18)13-6-2-1-3-7-13/h1-3,6-7,12,14-15H,4-5,8-11,19H2/t14-,15-/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP8


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 VIII


(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>3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP8


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 VIII


(Homo sapiens (Human))
BDBM50338516
PNG
(1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CCCCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r|
Show InChI InChI=1S/C16H23F2N7O/c17-16(18)4-6-23(9-16)14-20-10-21-15(22-14)24-7-11(19)12(8-24)25-5-2-1-3-13(25)26/h10-12H,1-9,19H2/t11-,12-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP8


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))
BDBM50338514
PNG
(1-((3S,4S)-4-amino-1-(4-phenyl-1,3,5-triazin-2-yl)...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CCCCC1=O)c1ncnc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C18H22N6O/c19-14-10-23(11-15(14)24-9-5-4-8-16(24)25)18-21-12-20-17(22-18)13-6-2-1-3-7-13/h1-3,6-7,12,14-15H,4-5,8-11,19H2/t14-,15-/m0/s1
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n/an/a>3.00E+4n/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 2 (DPP II)


(Homo sapiens (Human))
BDBM50338513
PNG
(1-((3S,4S)-4-amino-1-(6-(6-methoxypyridin-3-yl)pyr...)
Show SMILES COc1ccc(cn1)-c1cc(ncn1)N1C[C@H](N)[C@H](C1)N1CCCCC1=O |r|
Show InChI InChI=1S/C19H24N6O2/c1-27-18-6-5-13(9-21-18)15-8-17(23-12-22-15)24-10-14(20)16(11-24)25-7-3-2-4-19(25)26/h5-6,8-9,12,14,16H,2-4,7,10-11,20H2,1H3/t14-,16-/m0/s1
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n/an/a>3.00E+4n/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 VIII


(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>3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP8


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 VIII


(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>3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP8


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 VIII


(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>3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP8


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