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Compile Data Set for Download or QSAR

Found 82 hits with Last Name = 'benbow' and Initial = 'jw'   
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
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 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
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
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50277775
PNG
((3R,4R)-3-(4-(3,5-dimethylphenoxy)phenyl)-1-oxo-2-...)
Show SMILES CCCN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(Oc2cc(C)cc(C)c2)cc1 |r|
Show InChI InChI=1S/C27H27NO4/c1-4-13-28-25(24(27(30)31)22-7-5-6-8-23(22)26(28)29)19-9-11-20(12-10-19)32-21-15-17(2)14-18(3)16-21/h5-12,14-16,24-25H,4,13H2,1-3H3,(H,30,31)/t24-,25+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR40 expressed HEK293 cells assessed as effect on intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 19: 2400-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.082
BindingDB Entry DOI: 10.7270/Q23N238P
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50277776
PNG
((3R,4R)-3-(4-(3,4-dimethylphenoxy)phenyl)-1-oxo-2-...)
Show SMILES CCCN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(Oc2ccc(C)c(C)c2)cc1 |r|
Show InChI InChI=1S/C27H27NO4/c1-4-15-28-25(24(27(30)31)22-7-5-6-8-23(22)26(28)29)19-10-13-20(14-11-19)32-21-12-9-17(2)18(3)16-21/h5-14,16,24-25H,4,15H2,1-3H3,(H,30,31)/t24-,25+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR40 expressed HEK293 cells assessed as effect on intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 19: 2400-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.082
BindingDB Entry DOI: 10.7270/Q23N238P
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
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50277814
PNG
((3R,4R)-2-(cyclopropylmethyl)-1-oxo-3-(4-phenoxyph...)
Show SMILES OC(=O)[C@H]1[C@@H](N(CC2CC2)C(=O)c2ccccc12)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C26H23NO4/c28-25-22-9-5-4-8-21(22)23(26(29)30)24(27(25)16-17-10-11-17)18-12-14-20(15-13-18)31-19-6-2-1-3-7-19/h1-9,12-15,17,23-24H,10-11,16H2,(H,29,30)/t23-,24+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR40 expressed HEK293 cells assessed as effect on intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 19: 2400-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.082
BindingDB Entry DOI: 10.7270/Q23N238P
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
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50277728
PNG
((3R,4R)-3-(4-((cis)-4-methylcyclohexyloxy)phenyl)-...)
Show SMILES CCCN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(O[C@@H]2CC[C@H](C)CC2)cc1 |r,wU:5.5,wD:4.18,22.23,25.27,(-1.08,-.84,;-2.42,-.08,;-2.42,1.46,;-3.76,2.23,;-3.76,3.78,;-5.12,4.56,;-5.12,6.1,;-3.79,6.88,;-6.46,6.86,;-6.45,3.77,;-7.79,4.53,;-9.11,3.76,;-9.12,2.22,;-7.79,1.45,;-6.44,2.21,;-5.1,1.45,;-5.1,-.09,;-2.44,4.55,;-1.1,3.78,;.23,4.56,;.22,6.1,;1.55,6.87,;2.89,6.11,;4.2,6.88,;5.54,6.11,;5.55,4.57,;6.88,3.8,;4.21,3.8,;2.88,4.56,;-1.12,6.86,;-2.45,6.08,)|
Show InChI InChI=1S/C26H31NO4/c1-3-16-27-24(23(26(29)30)21-6-4-5-7-22(21)25(27)28)18-10-14-20(15-11-18)31-19-12-8-17(2)9-13-19/h4-7,10-11,14-15,17,19,23-24H,3,8-9,12-13,16H2,1-2H3,(H,29,30)/t17-,19+,23-,24+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR40 expressed HEK293 cells assessed as effect on intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 19: 2400-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.082
BindingDB Entry DOI: 10.7270/Q23N238P
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50277887
PNG
((3R,4R)-3-(benzo[d]thiazol-2-yl)-2-(2-ethylbutyl)-...)
Show SMILES CCC(CC)CN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C23H24N2O3S/c1-3-14(4-2)13-25-20(21-24-17-11-7-8-12-18(17)29-21)19(23(27)28)15-9-5-6-10-16(15)22(25)26/h5-12,14,19-20H,3-4,13H2,1-2H3,(H,27,28)/t19-,20-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR40 expressed HEK293 cells assessed as effect on intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 19: 2400-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.082
BindingDB Entry DOI: 10.7270/Q23N238P
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50277853
PNG
((3R,4R)-3-(3,4-dichlorophenyl)-2-(2-ethylbutyl)-1-...)
Show SMILES CCC(CC)CN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C22H23Cl2NO3/c1-3-13(4-2)12-25-20(14-9-10-17(23)18(24)11-14)19(22(27)28)15-7-5-6-8-16(15)21(25)26/h5-11,13,19-20H,3-4,12H2,1-2H3,(H,27,28)/t19-,20+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR40 expressed HEK293 cells assessed as effect on intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 19: 2400-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.082
BindingDB Entry DOI: 10.7270/Q23N238P
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50277729
PNG
((3R,4R)-2-ethyl-1-oxo-3-(4-phenoxyphenyl)-1,2,3,4-...)
Show SMILES CCN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C24H21NO4/c1-2-25-22(21(24(27)28)19-10-6-7-11-20(19)23(25)26)16-12-14-18(15-13-16)29-17-8-4-3-5-9-17/h3-15,21-22H,2H2,1H3,(H,27,28)/t21-,22+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR40 expressed HEK293 cells assessed as effect on intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 19: 2400-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.082
BindingDB Entry DOI: 10.7270/Q23N238P
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))
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
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50277852
PNG
((3R,4R)-3-(3,4-dichlorophenyl)-2-((S)-2-methylbuty...)
Show SMILES CC[C@H](C)CN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C21H21Cl2NO3/c1-3-12(2)11-24-19(13-8-9-16(22)17(23)10-13)18(21(26)27)14-6-4-5-7-15(14)20(24)25/h4-10,12,18-19H,3,11H2,1-2H3,(H,26,27)/t12-,18+,19-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR40 expressed HEK293 cells assessed as effect on intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 19: 2400-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.082
BindingDB Entry DOI: 10.7270/Q23N238P
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))
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))
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))
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
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50277888
PNG
((3R,4R)-3-(benzofuran-2-yl)-2-((S)-2-methylbutyl)-...)
Show SMILES CC[C@H](C)CN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1cc2ccccc2o1 |r|
Show InChI InChI=1S/C23H23NO4/c1-3-14(2)13-24-21(19-12-15-8-4-7-11-18(15)28-19)20(23(26)27)16-9-5-6-10-17(16)22(24)25/h4-12,14,20-21H,3,13H2,1-2H3,(H,26,27)/t14-,20+,21-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR40 expressed HEK293 cells assessed as effect on intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 19: 2400-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.082
BindingDB Entry DOI: 10.7270/Q23N238P
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))
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))
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
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50277777
PNG
((3R,4R)-1-oxo-2-propyl-3-(4-(5-(trifluoromethyl)py...)
Show SMILES CCCN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(Oc2ccc(cn2)C(F)(F)F)cc1 |r|
Show InChI InChI=1S/C25H21F3N2O4/c1-2-13-30-22(21(24(32)33)18-5-3-4-6-19(18)23(30)31)15-7-10-17(11-8-15)34-20-12-9-16(14-29-20)25(26,27)28/h3-12,14,21-22H,2,13H2,1H3,(H,32,33)/t21-,22+/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR40 expressed HEK293 cells assessed as effect on intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 19: 2400-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.082
BindingDB Entry DOI: 10.7270/Q23N238P
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))
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
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50277849
PNG
((3R,4R)-3-(3,4-dichlorophenyl)-1-oxo-2-propyl-1,2,...)
Show SMILES CCCN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H17Cl2NO3/c1-2-9-22-17(11-7-8-14(20)15(21)10-11)16(19(24)25)12-5-3-4-6-13(12)18(22)23/h3-8,10,16-17H,2,9H2,1H3,(H,24,25)/t16-,17+/m1/s1
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n/an/a 89n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR40 expressed HEK293 cells assessed as effect on intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 19: 2400-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.082
BindingDB Entry DOI: 10.7270/Q23N238P
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50277774
PNG
((3R,4R)-3-(4-(benzyloxy)phenyl)-1-oxo-2-propyl-1,2...)
Show SMILES CCCN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(OCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C26H25NO4/c1-2-16-27-24(23(26(29)30)21-10-6-7-11-22(21)25(27)28)19-12-14-20(15-13-19)31-17-18-8-4-3-5-9-18/h3-15,23-24H,2,16-17H2,1H3,(H,29,30)/t23-,24+/m1/s1
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n/an/a 96n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR40 expressed HEK293 cells assessed as effect on intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 19: 2400-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.082
BindingDB Entry DOI: 10.7270/Q23N238P
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50277851
PNG
((3R,4R)-3-(benzofuran-2-yl)-1-oxo-2-propyl-1,2,3,4...)
Show SMILES CCCN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1cc2ccccc2o1 |r|
Show InChI InChI=1S/C21H19NO4/c1-2-11-22-19(17-12-13-7-3-6-10-16(13)26-17)18(21(24)25)14-8-4-5-9-15(14)20(22)23/h3-10,12,18-19H,2,11H2,1H3,(H,24,25)/t18-,19+/m1/s1
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n/an/a 119n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR40 expressed HEK293 cells assessed as effect on intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 19: 2400-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.082
BindingDB Entry DOI: 10.7270/Q23N238P
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
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50277813
PNG
((3R,4R)-2-methyl-1-oxo-3-(4-phenoxyphenyl)-1,2,3,4...)
Show SMILES CN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C23H19NO4/c1-24-21(20(23(26)27)18-9-5-6-10-19(18)22(24)25)15-11-13-17(14-12-15)28-16-7-3-2-4-8-16/h2-14,20-21H,1H3,(H,26,27)/t20-,21+/m1/s1
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n/an/a 156n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR40 expressed HEK293 cells assessed as effect on intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 19: 2400-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.082
BindingDB Entry DOI: 10.7270/Q23N238P
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50277850
PNG
((3R,4R)-3-(3-chlorophenyl)-1-oxo-2-propyl-1,2,3,4-...)
Show SMILES CCCN1[C@H]([C@H](C(O)=O)c2ccccc2C1=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C19H18ClNO3/c1-2-10-21-17(12-6-5-7-13(20)11-12)16(19(23)24)14-8-3-4-9-15(14)18(21)22/h3-9,11,16-17H,2,10H2,1H3,(H,23,24)/t16-,17+/m1/s1
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n/an/a 228n/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR40 expressed HEK293 cells assessed as effect on intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 19: 2400-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.082
BindingDB Entry DOI: 10.7270/Q23N238P
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))
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 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
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