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Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50030427   
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))
BDBM50225074
PNG
((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Show SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2 |TLB:1:12:15:20.18.17,THB:13:14:17:22.12.21,13:12:15.14.20:17,21:12:15:20.18.17,21:18:15:22.13.12,19:18:15:22.13.12|
Show InChI InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11695
PNG
((2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}p...)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:3.2.4,4:3:10:7.6.5,4:5:10:3.2.9,THB:9:3:6:10.7.8,11:8:6:3.2.4|
Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50295970
PNG
((3R,6S,7aS)-6-amino-5-oxo-6-phenylhexahydropyrrolo...)
Show SMILES N[C@@]1(C[C@@H]2SC[C@@H](C#N)N2C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C13H13N3OS/c14-7-10-8-18-11-6-13(15,12(17)16(10)11)9-4-2-1-3-5-9/h1-5,10-11H,6,8,15H2/t10-,11+,13+/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50295972
PNG
((3R,6S,7aS)-6-amino-6-isopropyl-5-oxohexahydropyrr...)
Show SMILES CC(C)[C@@]1(N)C[C@@H]2SC[C@@H](C#N)N2C1=O |r|
Show InChI InChI=1S/C10H15N3OS/c1-6(2)10(12)3-8-13(9(10)14)7(4-11)5-15-8/h6-8H,3,5,12H2,1-2H3/t7-,8+,10+/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50295974
PNG
((3R,6S,7aS)-6-Amino-6-((S)-sec-butyl)-5-oxo-hexahy...)
Show SMILES CC[C@H](C)[C@@]1(N)C[C@@H]2SC[C@@H](C#N)N2C1=O |r|
Show InChI InChI=1S/C11H17N3OS/c1-3-7(2)11(13)4-9-14(10(11)15)8(5-12)6-16-9/h7-9H,3-4,6,13H2,1-2H3/t7-,8+,9-,11-/m0/s1
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n/an/a 53n/an/an/an/an/an/a



Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50295971
PNG
((3R,6R,7aS)-6-amino-6-ethyl-5-oxohexahydropyrrolo[...)
Show SMILES CC[C@@]1(N)C[C@@H]2SC[C@@H](C#N)N2C1=O |r|
Show InChI InChI=1S/C9H13N3OS/c1-2-9(11)3-7-12(8(9)13)6(4-10)5-14-7/h6-7H,2-3,5,11H2,1H3/t6-,7+,9-/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50295977
PNG
((3R,6S,7aS)-6-amino-6-cyclohexyl-5-oxohexahydropyr...)
Show SMILES N[C@@]1(C[C@@H]2SC[C@@H](C#N)N2C1=O)C1CCCCC1 |r|
Show InChI InChI=1S/C13H19N3OS/c14-7-10-8-18-11-6-13(15,12(17)16(10)11)9-4-2-1-3-5-9/h9-11H,1-6,8,15H2/t10-,11+,13+/m1/s1
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n/an/a 59n/an/an/an/an/an/a



Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50295973
PNG
((3R,6R,7aS)-6-amino-6-isobutyl-5-oxohexahydropyrro...)
Show SMILES CC(C)C[C@@]1(N)C[C@@H]2SC[C@@H](C#N)N2C1=O |r|
Show InChI InChI=1S/C11H17N3OS/c1-7(2)3-11(13)4-9-14(10(11)15)8(5-12)6-16-9/h7-9H,3-4,6,13H2,1-2H3/t8-,9+,11-/m1/s1
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n/an/a 63n/an/an/an/an/an/a



Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50295976
PNG
((3R,6S,7aS)-6-amino-6-cyclopentyl-5-oxohexahydropy...)
Show SMILES N[C@@]1(C[C@@H]2SC[C@@H](C#N)N2C1=O)C1CCCC1 |r|
Show InChI InChI=1S/C12H17N3OS/c13-6-9-7-17-10-5-12(14,11(16)15(9)10)8-3-1-2-4-8/h8-10H,1-5,7,14H2/t9-,10+,12+/m1/s1
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n/an/a 89n/an/an/an/an/an/a



Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50295986
PNG
((3R,6R,7aS)-6-amino-5-oxohexahydropyrrolo[2,1-b]th...)
Show SMILES N[C@@H]1C[C@@H]2SC[C@@H](C#N)N2C1=O |r|
Show InChI InChI=1S/C7H9N3OS/c8-2-4-3-12-6-1-5(9)7(11)10(4)6/h4-6H,1,3,9H2/t4-,5-,6+/m1/s1
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n/an/a 105n/an/an/an/an/an/a



Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50295975
PNG
((3R,6R,7aS)-6-amino-6-benzyl-5-oxohexahydropyrrolo...)
Show SMILES N[C@]1(Cc2ccccc2)C[C@@H]2SC[C@@H](C#N)N2C1=O |r|
Show InChI InChI=1S/C14H15N3OS/c15-8-11-9-19-12-7-14(16,13(18)17(11)12)6-10-4-2-1-3-5-10/h1-5,11-12H,6-7,9,16H2/t11-,12+,14-/m1/s1
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n/an/a 109n/an/an/an/an/an/a



Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50295979
PNG
((3R,6R,7aS)-6-amino-6-(cyclohexylmethyl)-5-oxohexa...)
Show SMILES N[C@]1(CC2CCCCC2)C[C@@H]2SC[C@@H](C#N)N2C1=O |r|
Show InChI InChI=1S/C14H21N3OS/c15-8-11-9-19-12-7-14(16,13(18)17(11)12)6-10-4-2-1-3-5-10/h10-12H,1-7,9,16H2/t11-,12+,14-/m1/s1
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n/an/a 118n/an/an/an/an/an/a



Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50295980
PNG
((3R,6S,7aS)-6-amino-6-(4-fluorophenyl)-5-oxohexahy...)
Show SMILES N[C@@]1(C[C@@H]2SC[C@@H](C#N)N2C1=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C13H12FN3OS/c14-9-3-1-8(2-4-9)13(16)5-11-17(12(13)18)10(6-15)7-19-11/h1-4,10-11H,5,7,16H2/t10-,11+,13+/m1/s1
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n/an/a 152n/an/an/an/an/an/a



Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50295978
PNG
((3R,6R,7aS)-6-amino-5-oxo-6-phenethylhexahydropyrr...)
Show SMILES N[C@]1(CCc2ccccc2)C[C@@H]2SC[C@@H](C#N)N2C1=O |r|
Show InChI InChI=1S/C15H17N3OS/c16-9-12-10-20-13-8-15(17,14(19)18(12)13)7-6-11-4-2-1-3-5-11/h1-5,12-13H,6-8,10,17H2/t12-,13+,15-/m1/s1
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n/an/a 205n/an/an/an/an/an/a



Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50295985
PNG
((3R,6S)-6-amino-5-oxohexahydro-2H-thiazolo[3,2-a]p...)
Show SMILES N[C@H]1CC[C@@H]2SC[C@@H](C#N)N2C1=O |r|
Show InChI InChI=1S/C8H11N3OS/c9-3-5-4-13-7-2-1-6(10)8(12)11(5)7/h5-7H,1-2,4,10H2/t5-,6+,7+/m1/s1
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n/an/a>1.60E+3n/an/an/an/an/an/a



Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50295981
PNG
((3R,6S,7aS)-6-amino-5-oxohexahydropyrrolo[2,1-b]th...)
Show SMILES N[C@H]1C[C@@H]2SC[C@@H](C#N)N2C1=O |r|
Show InChI InChI=1S/C7H9N3OS/c8-2-4-3-12-6-1-5(9)7(11)10(4)6/h4-6H,1,3,9H2/t4-,5+,6+/m1/s1
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n/an/a>1.60E+3n/an/an/an/an/an/a



Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50295984
PNG
((3R,6R)-6-amino-5-oxohexahydro-2H-thiazolo[3,2-a]p...)
Show SMILES N[C@@H]1CC[C@@H]2SC[C@@H](C#N)N2C1=O |r|
Show InChI InChI=1S/C8H11N3OS/c9-3-5-4-13-7-2-1-6(10)8(12)11(5)7/h5-7H,1-2,4,10H2/t5-,6-,7+/m1/s1
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n/an/a>1.60E+3n/an/an/an/an/an/a



Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Homo sapiens (Human))
BDBM50295977
PNG
((3R,6S,7aS)-6-amino-6-cyclohexyl-5-oxohexahydropyr...)
Show SMILES N[C@@]1(C[C@@H]2SC[C@@H](C#N)N2C1=O)C1CCCCC1 |r|
Show InChI InChI=1S/C13H19N3OS/c14-7-10-8-18-11-6-13(15,12(17)16(10)11)9-4-2-1-3-5-9/h9-11H,1-6,8,15H2/t10-,11+,13+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Sf9 cells by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Homo sapiens (Human))
BDBM50295980
PNG
((3R,6S,7aS)-6-amino-6-(4-fluorophenyl)-5-oxohexahy...)
Show SMILES N[C@@]1(C[C@@H]2SC[C@@H](C#N)N2C1=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C13H12FN3OS/c14-9-3-1-8(2-4-9)13(16)5-11-17(12(13)18)10(6-15)7-19-11/h1-4,10-11H,5,7,16H2/t10-,11+,13+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Sf9 cells by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Homo sapiens (Human))
BDBM50295979
PNG
((3R,6R,7aS)-6-amino-6-(cyclohexylmethyl)-5-oxohexa...)
Show SMILES N[C@]1(CC2CCCCC2)C[C@@H]2SC[C@@H](C#N)N2C1=O |r|
Show InChI InChI=1S/C14H21N3OS/c15-8-11-9-19-12-7-14(16,13(18)17(11)12)6-10-4-2-1-3-5-10/h10-12H,1-7,9,16H2/t11-,12+,14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Sf9 cells by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Homo sapiens (Human))
BDBM50295970
PNG
((3R,6S,7aS)-6-amino-5-oxo-6-phenylhexahydropyrrolo...)
Show SMILES N[C@@]1(C[C@@H]2SC[C@@H](C#N)N2C1=O)c1ccccc1 |r|
Show InChI InChI=1S/C13H13N3OS/c14-7-10-8-18-11-6-13(15,12(17)16(10)11)9-4-2-1-3-5-9/h1-5,10-11H,6,8,15H2/t10-,11+,13+/m1/s1
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Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Sf9 cells by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Homo sapiens (Human))
BDBM50295976
PNG
((3R,6S,7aS)-6-amino-6-cyclopentyl-5-oxohexahydropy...)
Show SMILES N[C@@]1(C[C@@H]2SC[C@@H](C#N)N2C1=O)C1CCCC1 |r|
Show InChI InChI=1S/C12H17N3OS/c13-6-9-7-17-10-5-12(14,11(16)15(9)10)8-3-1-2-4-8/h8-10H,1-5,7,14H2/t9-,10+,12+/m1/s1
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Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Sf9 cells by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Homo sapiens (Human))
BDBM50295972
PNG
((3R,6S,7aS)-6-amino-6-isopropyl-5-oxohexahydropyrr...)
Show SMILES CC(C)[C@@]1(N)C[C@@H]2SC[C@@H](C#N)N2C1=O |r|
Show InChI InChI=1S/C10H15N3OS/c1-6(2)10(12)3-8-13(9(10)14)7(4-11)5-15-8/h6-8H,3,5,12H2,1-2H3/t7-,8+,10+/m1/s1
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Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Sf9 cells by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Homo sapiens (Human))
BDBM50295974
PNG
((3R,6S,7aS)-6-Amino-6-((S)-sec-butyl)-5-oxo-hexahy...)
Show SMILES CC[C@H](C)[C@@]1(N)C[C@@H]2SC[C@@H](C#N)N2C1=O |r|
Show InChI InChI=1S/C11H17N3OS/c1-3-7(2)11(13)4-9-14(10(11)15)8(5-12)6-16-9/h7-9H,3-4,6,13H2,1-2H3/t7-,8+,9-,11-/m0/s1
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Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Sf9 cells by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Homo sapiens (Human))
BDBM50295978
PNG
((3R,6R,7aS)-6-amino-5-oxo-6-phenethylhexahydropyrr...)
Show SMILES N[C@]1(CCc2ccccc2)C[C@@H]2SC[C@@H](C#N)N2C1=O |r|
Show InChI InChI=1S/C15H17N3OS/c16-9-12-10-20-13-8-15(17,14(19)18(12)13)7-6-11-4-2-1-3-5-11/h1-5,12-13H,6-8,10,17H2/t12-,13+,15-/m1/s1
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Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Sf9 cells by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Homo sapiens (Human))
BDBM50295971
PNG
((3R,6R,7aS)-6-amino-6-ethyl-5-oxohexahydropyrrolo[...)
Show SMILES CC[C@@]1(N)C[C@@H]2SC[C@@H](C#N)N2C1=O |r|
Show InChI InChI=1S/C9H13N3OS/c1-2-9(11)3-7-12(8(9)13)6(4-10)5-14-7/h6-7H,2-3,5,11H2,1H3/t6-,7+,9-/m1/s1
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Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Sf9 cells by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Homo sapiens (Human))
BDBM50295973
PNG
((3R,6R,7aS)-6-amino-6-isobutyl-5-oxohexahydropyrro...)
Show SMILES CC(C)C[C@@]1(N)C[C@@H]2SC[C@@H](C#N)N2C1=O |r|
Show InChI InChI=1S/C11H17N3OS/c1-7(2)3-11(13)4-9-14(10(11)15)8(5-12)6-16-9/h7-9H,3-4,6,13H2,1-2H3/t8-,9+,11-/m1/s1
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Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Sf9 cells by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Homo sapiens (Human))
BDBM50295975
PNG
((3R,6R,7aS)-6-amino-6-benzyl-5-oxohexahydropyrrolo...)
Show SMILES N[C@]1(Cc2ccccc2)C[C@@H]2SC[C@@H](C#N)N2C1=O |r|
Show InChI InChI=1S/C14H15N3OS/c15-8-11-9-19-12-7-14(16,13(18)17(11)12)6-10-4-2-1-3-5-10/h1-5,11-12H,6-7,9,16H2/t11-,12+,14-/m1/s1
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Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Sf9 cells by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50295983
PNG
((3R,6R,7aS)-5-oxo-6-(phenethylamino)hexahydropyrro...)
Show SMILES O=C1[C@@H](C[C@@H]2SC[C@@H](C#N)N12)NCCc1ccccc1 |r|
Show InChI InChI=1S/C15H17N3OS/c16-9-12-10-20-14-8-13(15(19)18(12)14)17-7-6-11-4-2-1-3-5-11/h1-5,12-14,17H,6-8,10H2/t12-,13-,14+/m1/s1
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Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50295982
PNG
((3R,6R,7aS)-6-(cyclopentylamino)-5-oxohexahydropyr...)
Show SMILES O=C1[C@@H](C[C@@H]2SC[C@@H](C#N)N12)NC1CCCC1 |r|
Show InChI InChI=1S/C12H17N3OS/c13-6-9-7-17-11-5-10(12(16)15(9)11)14-8-3-1-2-4-8/h8-11,14H,1-5,7H2/t9-,10-,11+/m1/s1
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Phenomix Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 by fluorescence assay


Bioorg Med Chem Lett 19: 4437-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.048
BindingDB Entry DOI: 10.7270/Q2571C1Z
More data for this
Ligand-Target Pair