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PubMed code 19285862

Compile data set for download or QSAR
Found 30 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 4


(Homo sapiens (Human))
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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50278103
PNG
((R)-(4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)pip...)
Show SMILES Cc1ncc(C)c(n1)C(=O)N1CCC(CC1)[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C20H23F3N4O/c1-11-10-25-12(2)26-19(11)20(28)27-5-3-13(4-6-27)18(24)8-14-7-16(22)17(23)9-15(14)21/h7,9-10,13,18H,3-6,8,24H2,1-2H3/t18-/m1/s1
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n/an/a 18n/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50278843
PNG
((R)-(4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)pip...)
Show SMILES N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(CC1)C(=O)c1nccnc1N |r|
Show InChI InChI=1S/C18H20F3N5O/c19-12-9-14(21)13(20)7-11(12)8-15(22)10-1-5-26(6-2-10)18(27)16-17(23)25-4-3-24-16/h3-4,7,9-10,15H,1-2,5-6,8,22H2,(H2,23,25)/t15-/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 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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50278104
PNG
((R)-(4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)pip...)
Show SMILES Cc1nccnc1C(=O)N1CCC(CC1)[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C19H21F3N4O/c1-11-18(25-5-4-24-11)19(27)26-6-2-12(3-7-26)17(23)9-13-8-15(21)16(22)10-14(13)20/h4-5,8,10,12,17H,2-3,6-7,9,23H2,1H3/t17-/m1/s1
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n/an/a 22n/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50278842
PNG
((R)-(4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)pip...)
Show SMILES N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(CC1)C(=O)c1cc2ccccc2cn1 |r|
Show InChI InChI=1S/C23H22F3N3O/c24-18-12-20(26)19(25)9-17(18)10-21(27)14-5-7-29(8-6-14)23(30)22-11-15-3-1-2-4-16(15)13-28-22/h1-4,9,11-14,21H,5-8,10,27H2/t21-/m1/s1
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n/an/a 26n/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50278105
PNG
((R)-(4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)pip...)
Show SMILES N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(CC1)C(=O)c1cnc2ncccn12 |r|
Show InChI InChI=1S/C20H20F3N5O/c21-14-10-16(23)15(22)8-13(14)9-17(24)12-2-6-27(7-3-12)19(29)18-11-26-20-25-4-1-5-28(18)20/h1,4-5,8,10-12,17H,2-3,6-7,9,24H2/t17-/m1/s1
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n/an/a 27n/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50278841
PNG
((R)-(4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)pip...)
Show SMILES N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(CC1)C(=O)c1ccc(F)cc1F |r|
Show InChI InChI=1S/C20H19F5N2O/c21-13-1-2-14(16(23)9-13)20(28)27-5-3-11(4-6-27)19(26)8-12-7-17(24)18(25)10-15(12)22/h1-2,7,9-11,19H,3-6,8,26H2/t19-/m1/s1
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n/an/a 35n/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50278840
PNG
((R)-tert-butyl 4-(1-amino-2-(2,4,5-trifluorophenyl...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C18H25F3N2O2/c1-18(2,3)25-17(24)23-6-4-11(5-7-23)16(22)9-12-8-14(20)15(21)10-13(12)19/h8,10-11,16H,4-7,9,22H2,1-3H3/t16-/m1/s1
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n/an/a 270n/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50278839
PNG
((R)-1-(piperidin-4-yl)-2-(2,4,5-trifluorophenyl)et...)
Show SMILES N[C@H](Cc1cc(F)c(F)cc1F)C1CCNCC1 |r|
Show InChI InChI=1S/C13H17F3N2/c14-10-7-12(16)11(15)5-9(10)6-13(17)8-1-3-18-4-2-8/h5,7-8,13,18H,1-4,6,17H2/t13-/m1/s1
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n/an/a 272n/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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50278777
PNG
((R)-methyl 4-(1-amino-2-(2,4,5-trifluorophenyl)eth...)
Show SMILES COC(=O)c1ccc(cc1)[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C16H14F3NO2/c1-22-16(21)10-4-2-9(3-5-10)15(20)7-11-6-13(18)14(19)8-12(11)17/h2-6,8,15H,7,20H2,1H3/t15-/m1/s1
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n/an/a 1.42E+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 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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50278698
PNG
((R)-3-methyl-1-(2,4,5-trifluorophenyl)butan-2-amin...)
Show SMILES CC(C)[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C11H14F3N/c1-6(2)11(15)4-7-3-9(13)10(14)5-8(7)12/h3,5-6,11H,4,15H2,1-2H3/t11-/m1/s1
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n/an/a 1.93E+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 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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50278838
PNG
((R)-1-(pyridin-4-yl)-2-(2,4,5-trifluorophenyl)etha...)
Show SMILES N[C@H](Cc1cc(F)c(F)cc1F)c1ccncc1 |r|
Show InChI InChI=1S/C13H11F3N2/c14-10-7-12(16)11(15)5-9(10)6-13(17)8-1-3-18-4-2-8/h1-5,7,13H,6,17H2/t13-/m1/s1
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n/an/a 1.97E+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 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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50278776
PNG
((+/-)-methyl 4-(1-amino-2-(2,4,5-trifluorophenyl)e...)
Show SMILES COC(=O)c1ccc(cc1)C(N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C16H14F3NO2/c1-22-16(21)10-4-2-9(3-5-10)15(20)7-11-6-13(18)14(19)8-12(11)17/h2-6,8,15H,7,20H2,1H3
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n/an/a 3.25E+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 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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50278772
PNG
((R)-1-cyclohexyl-2-(2,4,5-trifluorophenyl)ethanami...)
Show SMILES N[C@H](Cc1cc(F)c(F)cc1F)C1CCCCC1 |r|
Show InChI InChI=1S/C14H18F3N/c15-11-8-13(17)12(16)6-10(11)7-14(18)9-4-2-1-3-5-9/h6,8-9,14H,1-5,7,18H2/t14-/m1/s1
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n/an/a 3.58E+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 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
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50278105
PNG
((R)-(4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)pip...)
Show SMILES N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(CC1)C(=O)c1cnc2ncccn12 |r|
Show InChI InChI=1S/C20H20F3N5O/c21-14-10-16(23)15(22)8-13(14)9-17(24)12-2-6-27(7-3-12)19(29)18-11-26-20-25-4-1-5-28(18)20/h1,4-5,8,10-12,17H,2-3,6-7,9,24H2/t17-/m1/s1
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n/an/a 1.08E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP2


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
Dipeptidyl peptidase 2


(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 1.68E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP2


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
Potassium voltage-gated channel subfamily H member 2


(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 1.80E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch-clamp assay


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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50278774
PNG
((R)-3,3-dimethyl-1-(2,4,5-trifluorophenyl)butan-2-...)
Show SMILES CC(C)(C)[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C12H16F3N/c1-12(2,3)11(16)5-7-4-9(14)10(15)6-8(7)13/h4,6,11H,5,16H2,1-3H3/t11-/m1/s1
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n/an/a 2.59E+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
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50278104
PNG
((R)-(4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)pip...)
Show SMILES Cc1nccnc1C(=O)N1CCC(CC1)[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C19H21F3N4O/c1-11-18(25-5-4-24-11)19(27)26-6-2-12(3-7-26)17(23)9-13-8-15(21)16(22)10-14(13)20/h4-5,8,10,12,17H,2-3,6-7,9,23H2,1H3/t17-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP2


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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50278697
PNG
(2-(2,4,5-trifluorophenyl)ethanamine | CHEMBL470428)
Show SMILES NCCc1cc(F)c(F)cc1F
Show InChI InChI=1S/C8H8F3N/c9-6-4-8(11)7(10)3-5(6)1-2-12/h3-4H,1-2,12H2
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n/an/a>3.00E+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
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50278103
PNG
((R)-(4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)pip...)
Show SMILES Cc1ncc(C)c(n1)C(=O)N1CCC(CC1)[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C20H23F3N4O/c1-11-10-25-12(2)26-19(11)20(28)27-5-3-13(4-6-27)18(24)8-14-7-16(22)17(23)9-15(14)21/h7,9-10,13,18H,3-6,8,24H2,1-2H3/t18-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP2


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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50278775
PNG
((S)-2-(2,4,5-trifluorobenzyl)piperidine | CHEMBL46...)
Show SMILES Fc1cc(F)c(C[C@@H]2CCCCN2)cc1F |r|
Show InChI InChI=1S/C12H14F3N/c13-10-7-12(15)11(14)6-8(10)5-9-3-1-2-4-16-9/h6-7,9,16H,1-5H2/t9-/m0/s1
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n/an/a>3.00E+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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50278773
PNG
((S)-1-cyclohexyl-3-(2,4,5-trifluorophenyl)propan-2...)
Show SMILES N[C@@H](CC1CCCCC1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C15H20F3N/c16-13-9-15(18)14(17)8-11(13)7-12(19)6-10-4-2-1-3-5-10/h8-10,12H,1-7,19H2/t12-/m0/s1
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n/an/a>3.00E+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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50278778
PNG
((S)-methyl 4-(1-amino-2-(2,4,5-trifluorophenyl)eth...)
Show SMILES COC(=O)c1ccc(cc1)[C@@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C16H14F3NO2/c1-22-16(21)10-4-2-9(3-5-10)15(20)7-11-6-13(18)14(19)8-12(11)17/h2-6,8,15H,7,20H2,1H3/t15-/m0/s1
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n/an/a>3.00E+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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50278104
PNG
((R)-(4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)pip...)
Show SMILES Cc1nccnc1C(=O)N1CCC(CC1)[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C19H21F3N4O/c1-11-18(25-5-4-24-11)19(27)26-6-2-12(3-7-26)17(23)9-13-8-15(21)16(22)10-14(13)20/h4-5,8,10,12,17H,2-3,6-7,9,23H2,1H3/t17-/m1/s1
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n/an/a 5.50E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch-clamp assay


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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50278105
PNG
((R)-(4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)pip...)
Show SMILES N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(CC1)C(=O)c1cnc2ncccn12 |r|
Show InChI InChI=1S/C20H20F3N5O/c21-14-10-16(23)15(22)8-13(14)9-17(24)12-2-6-27(7-3-12)19(29)18-11-26-20-25-4-1-5-28(18)20/h1,4-5,8,10-12,17H,2-3,6-7,9,24H2/t17-/m1/s1
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n/an/a 5.90E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch-clamp assay


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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50278103
PNG
((R)-(4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)pip...)
Show SMILES Cc1ncc(C)c(n1)C(=O)N1CCC(CC1)[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C20H23F3N4O/c1-11-10-25-12(2)26-19(11)20(28)27-5-3-13(4-6-27)18(24)8-14-7-16(22)17(23)9-15(14)21/h7,9-10,13,18H,3-6,8,24H2,1-2H3/t18-/m1/s1
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n/an/a 8.50E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch-clamp assay


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
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50278843
PNG
((R)-(4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)pip...)
Show SMILES N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(CC1)C(=O)c1nccnc1N |r|
Show InChI InChI=1S/C18H20F3N5O/c19-12-9-14(21)13(20)7-11(12)8-15(22)10-1-5-26(6-2-10)18(27)16-17(23)25-4-3-24-16/h3-4,7,9-10,15H,1-2,5-6,8,22H2,(H2,23,25)/t15-/m1/s1
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n/an/a 9.11E+6n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP2


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
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50278842
PNG
((R)-(4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)pip...)
Show SMILES N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(CC1)C(=O)c1cc2ccccc2cn1 |r|
Show InChI InChI=1S/C23H22F3N3O/c24-18-12-20(26)19(25)9-17(18)10-21(27)14-5-7-29(8-6-14)23(30)22-11-15-3-1-2-4-16(15)13-28-22/h1-4,9,11-14,21H,5-8,10,27H2/t21-/m1/s1
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n/an/a 1.02E+7n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP2


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
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50278841
PNG
((R)-(4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)pip...)
Show SMILES N[C@H](Cc1cc(F)c(F)cc1F)C1CCN(CC1)C(=O)c1ccc(F)cc1F |r|
Show InChI InChI=1S/C20H19F5N2O/c21-13-1-2-14(16(23)9-13)20(28)27-5-3-11(4-6-27)19(26)8-12-7-17(24)18(25)10-15(12)22/h1-2,7,9-11,19H,3-6,8,26H2/t19-/m1/s1
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n/an/a 1.11E+7n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP2


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
* indicates data uncertainty>20%