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PubMed code 23121075

Compile data set for download or QSAR
Found 119 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
Prolyl endopeptidase


(Sus scrofa)
BDBM50399718
PNG
(CHEMBL2178958)
Show SMILES [N-]=[N+]=N[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C20H24N6O2/c21-13-17-9-5-11-25(17)20(28)18-12-16(23-24-22)14-26(18)19(27)10-4-8-15-6-2-1-3-7-15/h1-3,6-7,16-18H,4-5,8-12,14H2/t16-,17-,18-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50155838
PNG
((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...)
Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prolyl endopeptidase


(Sus scrofa)
BDBM50399717
PNG
(CHEMBL2178959)
Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C28H37N7O4/c1-28(2,3)39-27(38)30-17-21-18-35(32-31-21)23-15-24(26(37)33-14-8-12-22(33)16-29)34(19-23)25(36)13-7-11-20-9-5-4-6-10-20/h4-6,9-10,18,22-24H,7-8,11-15,17,19H2,1-3H3,(H,30,38)/t22-,23-,24-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50399730
PNG
(CHEMBL2178967)
Show SMILES Brc1ccc(cc1)-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C27H30BrN5O2/c28-22-13-11-21(12-14-22)24-19-33(30-29-24)23-17-25(27(35)31-15-4-5-16-31)32(18-23)26(34)10-6-9-20-7-2-1-3-8-20/h1-3,7-8,11-14,19,23,25H,4-6,9-10,15-18H2/t23-,25-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50399732
PNG
(CHEMBL2178965)
Show SMILES Fc1ccc(cc1F)-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C27H29F2N5O2/c28-22-12-11-20(15-23(22)29)24-18-34(31-30-24)21-16-25(27(36)32-13-4-5-14-32)33(17-21)26(35)10-6-9-19-7-2-1-3-8-19/h1-3,7-8,11-12,15,18,21,25H,4-6,9-10,13-14,16-17H2/t21-,25-/m0/s1
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n/an/a 17.2n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50399731
PNG
(CHEMBL2178966)
Show SMILES Clc1ccccc1-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C27H30ClN5O2/c28-23-13-5-4-12-22(23)24-19-33(30-29-24)21-17-25(27(35)31-15-6-7-16-31)32(18-21)26(34)14-8-11-20-9-2-1-3-10-20/h1-5,9-10,12-13,19,21,25H,6-8,11,14-18H2/t21-,25-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50399733
PNG
(CHEMBL2178964)
Show SMILES Fc1ccc(-c2cn(nn2)[C@H]2C[C@H](N(C2)C(=O)CCCc2ccccc2)C(=O)N2CCCC2)c(F)c1 |r|
Show InChI InChI=1S/C27H29F2N5O2/c28-20-11-12-22(23(29)15-20)24-18-34(31-30-24)21-16-25(27(36)32-13-4-5-14-32)33(17-21)26(35)10-6-9-19-7-2-1-3-8-19/h1-3,7-8,11-12,15,18,21,25H,4-6,9-10,13-14,16-17H2/t21-,25-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50399725
PNG
(CHEMBL2178972)
Show SMILES CN(C)Cc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C24H34N6O2/c1-27(2)16-20-17-30(26-25-20)21-15-22(24(32)28-13-6-7-14-28)29(18-21)23(31)12-8-11-19-9-4-3-5-10-19/h3-5,9-10,17,21-22H,6-8,11-16,18H2,1-2H3/t21-,22-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50399737
PNG
(CHEMBL2178960)
Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C27H38N6O4/c1-27(2,3)37-26(36)28-17-21-18-33(30-29-21)22-16-23(25(35)31-14-7-8-15-31)32(19-22)24(34)13-9-12-20-10-5-4-6-11-20/h4-6,10-11,18,22-23H,7-9,12-17,19H2,1-3H3,(H,28,36)/t22-,23-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50399734
PNG
(CHEMBL2178963)
Show SMILES Fc1ccc(cc1)-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C27H30FN5O2/c28-22-13-11-21(12-14-22)24-19-33(30-29-24)23-17-25(27(35)31-15-4-5-16-31)32(18-23)26(34)10-6-9-20-7-2-1-3-8-20/h1-3,7-8,11-14,19,23,25H,4-6,9-10,15-18H2/t23-,25-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prolyl endopeptidase


(Sus scrofa)
BDBM50399740
PNG
(CHEMBL2179406)
Show SMILES O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)C1CC1 |r|
Show InChI InChI=1S/C24H31N5O2/c30-23(10-6-9-18-7-2-1-3-8-18)28-16-20(29-17-21(25-26-29)19-11-12-19)15-22(28)24(31)27-13-4-5-14-27/h1-3,7-8,17,19-20,22H,4-6,9-16H2/t20-,22-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50399728
PNG
(CHEMBL2178969)
Show SMILES O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccn1 |r|
Show InChI InChI=1S/C26H30N6O2/c33-25(13-8-11-20-9-2-1-3-10-20)31-18-21(17-24(31)26(34)30-15-6-7-16-30)32-19-23(28-29-32)22-12-4-5-14-27-22/h1-5,9-10,12,14,19,21,24H,6-8,11,13,15-18H2/t21-,24-/m0/s1
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n/an/a 69n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50399745
PNG
(CHEMBL2178976)
Show SMILES Cn1cnc(c1)-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C25H31N7O2/c1-29-16-21(26-18-29)22-17-32(28-27-22)20-14-23(25(34)30-12-5-6-13-30)31(15-20)24(33)11-7-10-19-8-3-2-4-9-19/h2-4,8-9,16-18,20,23H,5-7,10-15H2,1H3/t20-,23-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50399722
PNG
(CHEMBL2178975)
Show SMILES O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(CN2CCNCC2)nn1 |r|
Show InChI InChI=1S/C26H37N7O2/c34-25(10-6-9-21-7-2-1-3-8-21)32-20-23(17-24(32)26(35)31-13-4-5-14-31)33-19-22(28-29-33)18-30-15-11-27-12-16-30/h1-3,7-8,19,23-24,27H,4-6,9-18,20H2/t23-,24-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50399723
PNG
(CHEMBL2178974)
Show SMILES CC(C)(C)OC(=O)N1CCN(Cc2cn(nn2)[C@H]2C[C@H](N(C2)C(=O)CCCc2ccccc2)C(=O)N2CCCC2)CC1 |r|
Show InChI InChI=1S/C31H45N7O4/c1-31(2,3)42-30(41)36-18-16-34(17-19-36)21-25-22-38(33-32-25)26-20-27(29(40)35-14-7-8-15-35)37(23-26)28(39)13-9-12-24-10-5-4-6-11-24/h4-6,10-11,22,26-27H,7-9,12-21,23H2,1-3H3/t26-,27-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50051539
PNG
((S)-4-phenyl-1-(2-(pyrrolidine-1-carbonyl)pyrrolid...)
Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C19H26N2O2/c22-18(12-6-10-16-8-2-1-3-9-16)21-15-7-11-17(21)19(23)20-13-4-5-14-20/h1-3,8-9,17H,4-7,10-15H2/t17-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50399727
PNG
(CHEMBL2178970)
Show SMILES O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(COCc2ccccc2)nn1 |r|
Show InChI InChI=1S/C29H35N5O3/c35-28(15-9-14-23-10-3-1-4-11-23)33-20-26(18-27(33)29(36)32-16-7-8-17-32)34-19-25(30-31-34)22-37-21-24-12-5-2-6-13-24/h1-6,10-13,19,26-27H,7-9,14-18,20-22H2/t26-,27-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50399738
PNG
(CHEMBL2179408)
Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C25H34N6O5/c1-25(2,3)36-23(33)26-14-19-15-31(28-27-19)20-13-21(22(32)29-11-7-8-12-29)30(16-20)24(34)35-17-18-9-5-4-6-10-18/h4-6,9-10,15,20-21H,7-8,11-14,16-17H2,1-3H3,(H,26,33)/t20-,21-/m0/s1
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n/an/a 141n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50399743
PNG
(CHEMBL2178978)
Show SMILES [N-]=[N+]=N[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C19H25N5O2/c20-22-21-16-13-17(19(26)23-11-4-5-12-23)24(14-16)18(25)10-6-9-15-7-2-1-3-8-15/h1-3,7-8,16-17H,4-6,9-14H2/t16-,17-/m0/s1
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n/an/a 142n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50399739
PNG
(CHEMBL2179407)
Show SMILES O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)C1CCCCC1 |r|
Show InChI InChI=1S/C27H37N5O2/c33-26(15-9-12-21-10-3-1-4-11-21)31-19-23(18-25(31)27(34)30-16-7-8-17-30)32-20-24(28-29-32)22-13-5-2-6-14-22/h1,3-4,10-11,20,22-23,25H,2,5-9,12-19H2/t23-,25-/m0/s1
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n/an/a 147n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50399726
PNG
(CHEMBL2178971)
Show SMILES NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C22H30N6O2/c23-14-18-15-28(25-24-18)19-13-20(22(30)26-11-4-5-12-26)27(16-19)21(29)10-6-9-17-7-2-1-3-8-17/h1-3,7-8,15,19-20H,4-6,9-14,16,23H2/t19-,20-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50399735
PNG
(CHEMBL2178962)
Show SMILES O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccc1 |r|
Show InChI InChI=1S/C27H31N5O2/c33-26(15-9-12-21-10-3-1-4-11-21)31-19-23(18-25(31)27(34)30-16-7-8-17-30)32-20-24(28-29-32)22-13-5-2-6-14-22/h1-6,10-11,13-14,20,23,25H,7-9,12,15-19H2/t23-,25-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50399724
PNG
(CHEMBL2178973)
Show SMILES O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(CN2CCOCC2)nn1 |r|
Show InChI InChI=1S/C26H36N6O3/c33-25(10-6-9-21-7-2-1-3-8-21)31-20-23(17-24(31)26(34)30-11-4-5-12-30)32-19-22(27-28-32)18-29-13-15-35-16-14-29/h1-3,7-8,19,23-24H,4-6,9-18,20H2/t23-,24-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50399719
PNG
(CHEMBL2178957)
Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)[C@@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C27H38N6O4/c1-27(2,3)37-26(36)28-17-21-18-33(30-29-21)22-16-23(25(35)31-14-7-8-15-31)32(19-22)24(34)13-9-12-20-10-5-4-6-11-20/h4-6,10-11,18,22-23H,7-9,12-17,19H2,1-3H3,(H,28,36)/t22-,23+/m1/s1
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n/an/a 280n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50399721
PNG
(CHEMBL2178955)
Show SMILES [N-]=[N+]=N[C@@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C19H25N5O2/c20-22-21-16-13-17(19(26)23-11-4-5-12-23)24(14-16)18(25)10-6-9-15-7-2-1-3-8-15/h1-3,7-8,16-17H,4-6,9-14H2/t16-,17+/m1/s1
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n/an/a 304n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50316820
PNG
((S)-benzyl 2-(pyrrolidine-1-carbonyl)pyrrolidine-1...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C17H22N2O3/c20-16(18-10-4-5-11-18)15-9-6-12-19(15)17(21)22-13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2/t15-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50399729
PNG
(CHEMBL2178968)
Show SMILES O=C(OCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H26N6O3/c31-23(28-12-6-7-13-28)22-14-19(30-16-21(26-27-30)20-10-4-5-11-25-20)15-29(22)24(32)33-17-18-8-2-1-3-9-18/h1-5,8-11,16,19,22H,6-7,12-15,17H2/t19-,22-/m0/s1
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n/an/a 357n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50399744
PNG
(CHEMBL2178977)
Show SMILES [N-]=[N+]=N[C@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C17H21N5O3/c18-20-19-14-10-15(16(23)21-8-4-5-9-21)22(11-14)17(24)25-12-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2/t14-,15-/m0/s1
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n/an/a 364n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50399736
PNG
(CHEMBL2178961)
Show SMILES O=C(OCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H27N5O3/c31-24(28-13-7-8-14-28)23-15-21(30-17-22(26-27-30)20-11-5-2-6-12-20)16-29(23)25(32)33-18-19-9-3-1-4-10-19/h1-6,9-12,17,21,23H,7-8,13-16,18H2/t21-,23-/m0/s1
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n/an/a 478n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50399720
PNG
(CHEMBL2178956)
Show SMILES O=C(CCCc1ccccc1)N1C[C@@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccc1 |r|
Show InChI InChI=1S/C27H31N5O2/c33-26(15-9-12-21-10-3-1-4-11-21)31-19-23(18-25(31)27(34)30-16-7-8-17-30)32-20-24(28-29-32)22-13-5-2-6-14-22/h1-6,10-11,13-14,20,23,25H,7-9,12,15-19H2/t23-,25+/m1/s1
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n/an/a 542n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50399741
PNG
(CHEMBL2179405)
Show SMILES C[Si](C)(C)c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C22H31N5O3Si/c1-31(2,3)20-15-27(24-23-20)18-13-19(21(28)25-11-7-8-12-25)26(14-18)22(29)30-16-17-9-5-4-6-10-17/h4-6,9-10,15,18-19H,7-8,11-14,16H2,1-3H3/t18-,19-/m0/s1
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n/an/a 956n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50399742
PNG
(CHEMBL2178979)
Show SMILES O=C(OCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1ccnn1 |r|
Show InChI InChI=1S/C19H23N5O3/c25-18(22-9-4-5-10-22)17-12-16(24-11-8-20-21-24)13-23(17)19(26)27-14-15-6-2-1-3-7-15/h1-3,6-8,11,16-17H,4-5,9-10,12-14H2/t16-,17-/m0/s1
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n/an/a 1.16E+3n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of pig PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide substrate


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Mus musculus (Mouse))
BDBM50399732
PNG
(CHEMBL2178965)
Show SMILES Fc1ccc(cc1F)-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C27H29F2N5O2/c28-22-12-11-20(15-23(22)29)24-18-34(31-30-24)21-16-25(27(36)32-13-4-5-14-32)33(17-21)26(35)10-6-9-19-7-2-1-3-8-19/h1-3,7-8,11-12,15,18,21,25H,4-6,9-10,13-14,16-17H2/t21-,25-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Mus musculus (Mouse))
BDBM50399731
PNG
(CHEMBL2178966)
Show SMILES Clc1ccccc1-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C27H30ClN5O2/c28-23-13-5-4-12-22(23)24-19-33(30-29-24)21-17-25(27(35)31-15-6-7-16-31)32(18-21)26(34)14-8-11-20-9-2-1-3-10-20/h1-5,9-10,12-13,19,21,25H,6-8,11,14-18H2/t21-,25-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Mus musculus (Mouse))
BDBM50399733
PNG
(CHEMBL2178964)
Show SMILES Fc1ccc(-c2cn(nn2)[C@H]2C[C@H](N(C2)C(=O)CCCc2ccccc2)C(=O)N2CCCC2)c(F)c1 |r|
Show InChI InChI=1S/C27H29F2N5O2/c28-20-11-12-22(23(29)15-20)24-18-34(31-30-24)21-16-25(27(36)32-13-4-5-14-32)33(17-21)26(35)10-6-9-19-7-2-1-3-8-19/h1-3,7-8,11-12,15,18,21,25H,4-6,9-10,13-14,16-17H2/t21-,25-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Mus musculus (Mouse))
BDBM50399739
PNG
(CHEMBL2179407)
Show SMILES O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)C1CCCCC1 |r|
Show InChI InChI=1S/C27H37N5O2/c33-26(15-9-12-21-10-3-1-4-11-21)31-19-23(18-25(31)27(34)30-16-7-8-17-30)32-20-24(28-29-32)22-13-5-2-6-14-22/h1,3-4,10-11,20,22-23,25H,2,5-9,12-19H2/t23-,25-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50399732
PNG
(CHEMBL2178965)
Show SMILES Fc1ccc(cc1F)-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C27H29F2N5O2/c28-22-12-11-20(15-23(22)29)24-18-34(31-30-24)21-16-25(27(36)32-13-4-5-14-32)33(17-21)26(35)10-6-9-19-7-2-1-3-8-19/h1-3,7-8,11-12,15,18,21,25H,4-6,9-10,13-14,16-17H2/t21-,25-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50399726
PNG
(CHEMBL2178971)
Show SMILES NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C22H30N6O2/c23-14-18-15-28(25-24-18)19-13-20(22(30)26-11-4-5-12-26)27(16-19)21(29)10-6-9-17-7-2-1-3-8-17/h1-3,7-8,15,19-20H,4-6,9-14,16,23H2/t19-,20-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50399731
PNG
(CHEMBL2178966)
Show SMILES Clc1ccccc1-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C27H30ClN5O2/c28-23-13-5-4-12-22(23)24-19-33(30-29-24)21-17-25(27(35)31-15-6-7-16-31)32(18-21)26(34)14-8-11-20-9-2-1-3-10-20/h1-5,9-10,12-13,19,21,25H,6-8,11,14-18H2/t21-,25-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Mus musculus (Mouse))
BDBM50155838
PNG
((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...)
Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50399724
PNG
(CHEMBL2178973)
Show SMILES O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(CN2CCOCC2)nn1 |r|
Show InChI InChI=1S/C26H36N6O3/c33-25(10-6-9-21-7-2-1-3-8-21)31-20-23(17-24(31)26(34)30-11-4-5-12-30)32-19-22(27-28-32)18-29-13-15-35-16-14-29/h1-3,7-8,19,23-24H,4-6,9-18,20H2/t23-,24-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50316820
PNG
((S)-benzyl 2-(pyrrolidine-1-carbonyl)pyrrolidine-1...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C17H22N2O3/c20-16(18-10-4-5-11-18)15-9-6-12-19(15)17(21)22-13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2/t15-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50399717
PNG
(CHEMBL2178959)
Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C28H37N7O4/c1-28(2,3)39-27(38)30-17-21-18-35(32-31-21)23-15-24(26(37)33-14-8-12-22(33)16-29)34(19-23)25(36)13-7-11-20-9-5-4-6-10-20/h4-6,9-10,18,22-24H,7-8,11-15,17,19H2,1-3H3,(H,30,38)/t22-,23-,24-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50399720
PNG
(CHEMBL2178956)
Show SMILES O=C(CCCc1ccccc1)N1C[C@@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccc1 |r|
Show InChI InChI=1S/C27H31N5O2/c33-26(15-9-12-21-10-3-1-4-11-21)31-19-23(18-25(31)27(34)30-16-7-8-17-30)32-20-24(28-29-32)22-13-5-2-6-14-22/h1-6,10-11,13-14,20,23,25H,7-9,12,15-19H2/t23-,25+/m1/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50399725
PNG
(CHEMBL2178972)
Show SMILES CN(C)Cc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C24H34N6O2/c1-27(2)16-20-17-30(26-25-20)21-15-22(24(32)28-13-6-7-14-28)29(18-21)23(31)12-8-11-19-9-4-3-5-10-19/h3-5,9-10,17,21-22H,6-8,11-16,18H2,1-2H3/t21-,22-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50399728
PNG
(CHEMBL2178969)
Show SMILES O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccn1 |r|
Show InChI InChI=1S/C26H30N6O2/c33-25(13-8-11-20-9-2-1-3-10-20)31-18-21(17-24(31)26(34)30-15-6-7-16-30)32-19-23(28-29-32)22-12-4-5-14-27-22/h1-5,9-10,12,14,19,21,24H,6-8,11,13,15-18H2/t21-,24-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50399732
PNG
(CHEMBL2178965)
Show SMILES Fc1ccc(cc1F)-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C27H29F2N5O2/c28-22-12-11-20(15-23(22)29)24-18-34(31-30-24)21-16-25(27(36)32-13-4-5-14-32)33(17-21)26(35)10-6-9-19-7-2-1-3-8-19/h1-3,7-8,11-12,15,18,21,25H,4-6,9-10,13-14,16-17H2/t21-,25-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50399717
PNG
(CHEMBL2178959)
Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C28H37N7O4/c1-28(2,3)39-27(38)30-17-21-18-35(32-31-21)23-15-24(26(37)33-14-8-12-22(33)16-29)34(19-23)25(36)13-7-11-20-9-5-4-6-10-20/h4-6,9-10,18,22-24H,7-8,11-15,17,19H2,1-3H3,(H,30,38)/t22-,23-,24-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Mus musculus (Mouse))
BDBM50316820
PNG
((S)-benzyl 2-(pyrrolidine-1-carbonyl)pyrrolidine-1...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C17H22N2O3/c20-16(18-10-4-5-11-18)15-9-6-12-19(15)17(21)22-13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2/t15-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50399735
PNG
(CHEMBL2178962)
Show SMILES O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccc1 |r|
Show InChI InChI=1S/C27H31N5O2/c33-26(15-9-12-21-10-3-1-4-11-21)31-19-23(18-25(31)27(34)30-16-7-8-17-30)32-20-24(28-29-32)22-13-5-2-6-14-22/h1-6,10-11,13-14,20,23,25H,7-9,12,15-19H2/t23-,25-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50399739
PNG
(CHEMBL2179407)
Show SMILES O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)C1CCCCC1 |r|
Show InChI InChI=1S/C27H37N5O2/c33-26(15-9-12-21-10-3-1-4-11-21)31-19-23(18-25(31)27(34)30-16-7-8-17-30)32-20-24(28-29-32)22-13-5-2-6-14-22/h1,3-4,10-11,20,22-23,25H,2,5-9,12-19H2/t23-,25-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50399740
PNG
(CHEMBL2179406)
Show SMILES O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)C1CC1 |r|
Show InChI InChI=1S/C24H31N5O2/c30-23(10-6-9-18-7-2-1-3-8-18)28-16-20(29-17-21(25-26-29)19-11-12-19)15-22(28)24(31)27-13-4-5-14-27/h1-3,7-8,17,19-20,22H,4-6,9-16H2/t20-,22-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50399743
PNG
(CHEMBL2178978)
Show SMILES [N-]=[N+]=N[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C19H25N5O2/c20-22-21-16-13-17(19(26)23-11-4-5-12-23)24(14-16)18(25)10-6-9-15-7-2-1-3-8-15/h1-3,7-8,16-17H,4-6,9-14H2/t16-,17-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50051539
PNG
((S)-4-phenyl-1-(2-(pyrrolidine-1-carbonyl)pyrrolid...)
Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C19H26N2O2/c22-18(12-6-10-16-8-2-1-3-9-16)21-15-7-11-17(21)19(23)20-13-4-5-14-20/h1-3,8-9,17H,4-7,10-15H2/t17-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50399720
PNG
(CHEMBL2178956)
Show SMILES O=C(CCCc1ccccc1)N1C[C@@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccc1 |r|
Show InChI InChI=1S/C27H31N5O2/c33-26(15-9-12-21-10-3-1-4-11-21)31-19-23(18-25(31)27(34)30-16-7-8-17-30)32-20-24(28-29-32)22-13-5-2-6-14-22/h1-6,10-11,13-14,20,23,25H,7-9,12,15-19H2/t23-,25+/m1/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50399733
PNG
(CHEMBL2178964)
Show SMILES Fc1ccc(-c2cn(nn2)[C@H]2C[C@H](N(C2)C(=O)CCCc2ccccc2)C(=O)N2CCCC2)c(F)c1 |r|
Show InChI InChI=1S/C27H29F2N5O2/c28-20-11-12-22(23(29)15-20)24-18-34(31-30-24)21-16-25(27(36)32-13-4-5-14-32)33(17-21)26(35)10-6-9-19-7-2-1-3-8-19/h1-3,7-8,11-12,15,18,21,25H,4-6,9-10,13-14,16-17H2/t21-,25-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50399738
PNG
(CHEMBL2179408)
Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C25H34N6O5/c1-25(2,3)36-23(33)26-14-19-15-31(28-27-19)20-13-21(22(32)29-11-7-8-12-29)30(16-20)24(34)35-17-18-9-5-4-6-10-18/h4-6,9-10,15,20-21H,7-8,11-14,16-17H2,1-3H3,(H,26,33)/t20-,21-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50399739
PNG
(CHEMBL2179407)
Show SMILES O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)C1CCCCC1 |r|
Show InChI InChI=1S/C27H37N5O2/c33-26(15-9-12-21-10-3-1-4-11-21)31-19-23(18-25(31)27(34)30-16-7-8-17-30)32-20-24(28-29-32)22-13-5-2-6-14-22/h1,3-4,10-11,20,22-23,25H,2,5-9,12-19H2/t23-,25-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Mus musculus (Mouse))
BDBM50399723
PNG
(CHEMBL2178974)
Show SMILES CC(C)(C)OC(=O)N1CCN(Cc2cn(nn2)[C@H]2C[C@H](N(C2)C(=O)CCCc2ccccc2)C(=O)N2CCCC2)CC1 |r|
Show InChI InChI=1S/C31H45N7O4/c1-31(2,3)42-30(41)36-18-16-34(17-19-36)21-25-22-38(33-32-25)26-20-27(29(40)35-14-7-8-15-35)37(23-26)28(39)13-9-12-24-10-5-4-6-11-24/h4-6,10-11,22,26-27H,7-9,12-21,23H2,1-3H3/t26-,27-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50399719
PNG
(CHEMBL2178957)
Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)[C@@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C27H38N6O4/c1-27(2,3)37-26(36)28-17-21-18-33(30-29-21)22-16-23(25(35)31-14-7-8-15-31)32(19-22)24(34)13-9-12-20-10-5-4-6-11-20/h4-6,10-11,18,22-23H,7-9,12-17,19H2,1-3H3,(H,28,36)/t22-,23+/m1/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50399721
PNG
(CHEMBL2178955)
Show SMILES [N-]=[N+]=N[C@@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C19H25N5O2/c20-22-21-16-13-17(19(26)23-11-4-5-12-23)24(14-16)18(25)10-6-9-15-7-2-1-3-8-15/h1-3,7-8,16-17H,4-6,9-14H2/t16-,17+/m1/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50399722
PNG
(CHEMBL2178975)
Show SMILES O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(CN2CCNCC2)nn1 |r|
Show InChI InChI=1S/C26H37N7O2/c34-25(10-6-9-21-7-2-1-3-8-21)32-20-23(17-24(32)26(35)31-13-4-5-14-31)33-19-22(28-29-33)18-30-15-11-27-12-16-30/h1-3,7-8,19,23-24,27H,4-6,9-18,20H2/t23-,24-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50399726
PNG
(CHEMBL2178971)
Show SMILES NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C22H30N6O2/c23-14-18-15-28(25-24-18)19-13-20(22(30)26-11-4-5-12-26)27(16-19)21(29)10-6-9-17-7-2-1-3-8-17/h1-3,7-8,15,19-20H,4-6,9-14,16,23H2/t19-,20-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50399734
PNG
(CHEMBL2178963)
Show SMILES Fc1ccc(cc1)-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C27H30FN5O2/c28-22-13-11-21(12-14-22)24-19-33(30-29-24)23-17-25(27(35)31-15-4-5-16-31)32(18-23)26(34)10-6-9-20-7-2-1-3-8-20/h1-3,7-8,11-14,19,23,25H,4-6,9-10,15-18H2/t23-,25-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50399741
PNG
(CHEMBL2179405)
Show SMILES C[Si](C)(C)c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C22H31N5O3Si/c1-31(2,3)20-15-27(24-23-20)18-13-19(21(28)25-11-7-8-12-25)26(14-18)22(29)30-16-17-9-5-4-6-10-17/h4-6,9-10,15,18-19H,7-8,11-14,16H2,1-3H3/t18-,19-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50399724
PNG
(CHEMBL2178973)
Show SMILES O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(CN2CCOCC2)nn1 |r|
Show InChI InChI=1S/C26H36N6O3/c33-25(10-6-9-21-7-2-1-3-8-21)31-20-23(17-24(31)26(34)30-11-4-5-12-30)32-19-22(27-28-32)18-29-13-15-35-16-14-29/h1-3,7-8,19,23-24H,4-6,9-18,20H2/t23-,24-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50399730
PNG
(CHEMBL2178967)
Show SMILES Brc1ccc(cc1)-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C27H30BrN5O2/c28-22-13-11-21(12-14-22)24-19-33(30-29-24)23-17-25(27(35)31-15-4-5-16-31)32(18-23)26(34)10-6-9-20-7-2-1-3-8-20/h1-3,7-8,11-14,19,23,25H,4-6,9-10,15-18H2/t23-,25-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Mus musculus (Mouse))
BDBM50399738
PNG
(CHEMBL2179408)
Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C25H34N6O5/c1-25(2,3)36-23(33)26-14-19-15-31(28-27-19)20-13-21(22(32)29-11-7-8-12-29)30(16-20)24(34)35-17-18-9-5-4-6-10-18/h4-6,9-10,15,20-21H,7-8,11-14,16-17H2,1-3H3,(H,26,33)/t20-,21-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Mus musculus (Mouse))
BDBM50399742
PNG
(CHEMBL2178979)
Show SMILES O=C(OCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1ccnn1 |r|
Show InChI InChI=1S/C19H23N5O3/c25-18(22-9-4-5-10-22)17-12-16(24-11-8-20-21-24)13-23(17)19(26)27-14-15-6-2-1-3-7-15/h1-3,6-8,11,16-17H,4-5,9-10,12-14H2/t16-,17-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Mus musculus (Mouse))
BDBM50051539
PNG
((S)-4-phenyl-1-(2-(pyrrolidine-1-carbonyl)pyrrolid...)
Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C19H26N2O2/c22-18(12-6-10-16-8-2-1-3-9-16)21-15-7-11-17(21)19(23)20-13-4-5-14-20/h1-3,8-9,17H,4-7,10-15H2/t17-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50399736
PNG
(CHEMBL2178961)
Show SMILES O=C(OCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H27N5O3/c31-24(28-13-7-8-14-28)23-15-21(30-17-22(26-27-30)20-11-5-2-6-12-20)16-29(23)25(32)33-18-19-9-3-1-4-10-19/h1-6,9-12,17,21,23H,7-8,13-16,18H2/t21-,23-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50399744
PNG
(CHEMBL2178977)
Show SMILES [N-]=[N+]=N[C@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C17H21N5O3/c18-20-19-14-10-15(16(23)21-8-4-5-9-21)22(11-14)17(24)25-12-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2/t14-,15-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50399725
PNG
(CHEMBL2178972)
Show SMILES CN(C)Cc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C24H34N6O2/c1-27(2)16-20-17-30(26-25-20)21-15-22(24(32)28-13-6-7-14-28)29(18-21)23(31)12-8-11-19-9-4-3-5-10-19/h3-5,9-10,17,21-22H,6-8,11-16,18H2,1-2H3/t21-,22-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50399736
PNG
(CHEMBL2178961)
Show SMILES O=C(OCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H27N5O3/c31-24(28-13-7-8-14-28)23-15-21(30-17-22(26-27-30)20-11-5-2-6-12-20)16-29(23)25(32)33-18-19-9-3-1-4-10-19/h1-6,9-12,17,21,23H,7-8,13-16,18H2/t21-,23-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Mus musculus (Mouse))
BDBM50399744
PNG
(CHEMBL2178977)
Show SMILES [N-]=[N+]=N[C@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C17H21N5O3/c18-20-19-14-10-15(16(23)21-8-4-5-9-21)22(11-14)17(24)25-12-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2/t14-,15-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50051539
PNG
((S)-4-phenyl-1-(2-(pyrrolidine-1-carbonyl)pyrrolid...)
Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C19H26N2O2/c22-18(12-6-10-16-8-2-1-3-9-16)21-15-7-11-17(21)19(23)20-13-4-5-14-20/h1-3,8-9,17H,4-7,10-15H2/t17-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50399730
PNG
(CHEMBL2178967)
Show SMILES Brc1ccc(cc1)-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C27H30BrN5O2/c28-22-13-11-21(12-14-22)24-19-33(30-29-24)23-17-25(27(35)31-15-4-5-16-31)32(18-23)26(34)10-6-9-20-7-2-1-3-8-20/h1-3,7-8,11-14,19,23,25H,4-6,9-10,15-18H2/t23-,25-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50399733
PNG
(CHEMBL2178964)
Show SMILES Fc1ccc(-c2cn(nn2)[C@H]2C[C@H](N(C2)C(=O)CCCc2ccccc2)C(=O)N2CCCC2)c(F)c1 |r|
Show InChI InChI=1S/C27H29F2N5O2/c28-20-11-12-22(23(29)15-20)24-18-34(31-30-24)21-16-25(27(36)32-13-4-5-14-32)33(17-21)26(35)10-6-9-19-7-2-1-3-8-19/h1-3,7-8,11-12,15,18,21,25H,4-6,9-10,13-14,16-17H2/t21-,25-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50399719
PNG
(CHEMBL2178957)
Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)[C@@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C27H38N6O4/c1-27(2,3)37-26(36)28-17-21-18-33(30-29-21)22-16-23(25(35)31-14-7-8-15-31)32(19-22)24(34)13-9-12-20-10-5-4-6-11-20/h4-6,10-11,18,22-23H,7-9,12-17,19H2,1-3H3,(H,28,36)/t22-,23+/m1/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50399734
PNG
(CHEMBL2178963)
Show SMILES Fc1ccc(cc1)-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C27H30FN5O2/c28-22-13-11-21(12-14-22)24-19-33(30-29-24)23-17-25(27(35)31-15-4-5-16-31)32(18-23)26(34)10-6-9-20-7-2-1-3-8-20/h1-3,7-8,11-14,19,23,25H,4-6,9-10,15-18H2/t23-,25-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50399737
PNG
(CHEMBL2178960)
Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C27H38N6O4/c1-27(2,3)37-26(36)28-17-21-18-33(30-29-21)22-16-23(25(35)31-14-7-8-15-31)32(19-22)24(34)13-9-12-20-10-5-4-6-11-20/h4-6,10-11,18,22-23H,7-9,12-17,19H2,1-3H3,(H,28,36)/t22-,23-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50399742
PNG
(CHEMBL2178979)
Show SMILES O=C(OCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1ccnn1 |r|
Show InChI InChI=1S/C19H23N5O3/c25-18(22-9-4-5-10-22)17-12-16(24-11-8-20-21-24)13-23(17)19(26)27-14-15-6-2-1-3-7-15/h1-3,6-8,11,16-17H,4-5,9-10,12-14H2/t16-,17-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Mus musculus (Mouse))
BDBM50399743
PNG
(CHEMBL2178978)
Show SMILES [N-]=[N+]=N[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C19H25N5O2/c20-22-21-16-13-17(19(26)23-11-4-5-12-23)24(14-16)18(25)10-6-9-15-7-2-1-3-8-15/h1-3,7-8,16-17H,4-6,9-14H2/t16-,17-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50399723
PNG
(CHEMBL2178974)
Show SMILES CC(C)(C)OC(=O)N1CCN(Cc2cn(nn2)[C@H]2C[C@H](N(C2)C(=O)CCCc2ccccc2)C(=O)N2CCCC2)CC1 |r|
Show InChI InChI=1S/C31H45N7O4/c1-31(2,3)42-30(41)36-18-16-34(17-19-36)21-25-22-38(33-32-25)26-20-27(29(40)35-14-7-8-15-35)37(23-26)28(39)13-9-12-24-10-5-4-6-11-24/h4-6,10-11,22,26-27H,7-9,12-21,23H2,1-3H3/t26-,27-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50399727
PNG
(CHEMBL2178970)
Show SMILES O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(COCc2ccccc2)nn1 |r|
Show InChI InChI=1S/C29H35N5O3/c35-28(15-9-14-23-10-3-1-4-11-23)33-20-26(18-27(33)29(36)32-16-7-8-17-32)34-19-25(30-31-34)22-37-21-24-12-5-2-6-13-24/h1-6,10-13,19,26-27H,7-9,14-18,20-22H2/t26-,27-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50399729
PNG
(CHEMBL2178968)
Show SMILES O=C(OCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H26N6O3/c31-23(28-12-6-7-13-28)22-14-19(30-16-21(26-27-30)20-10-4-5-11-25-20)15-29(22)24(32)33-17-18-8-2-1-3-9-18/h1-5,8-11,16,19,22H,6-7,12-15,17H2/t19-,22-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50399742
PNG
(CHEMBL2178979)
Show SMILES O=C(OCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1ccnn1 |r|
Show InChI InChI=1S/C19H23N5O3/c25-18(22-9-4-5-10-22)17-12-16(24-11-8-20-21-24)13-23(17)19(26)27-14-15-6-2-1-3-7-15/h1-3,6-8,11,16-17H,4-5,9-10,12-14H2/t16-,17-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50155838
PNG
((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...)
Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50399721
PNG
(CHEMBL2178955)
Show SMILES [N-]=[N+]=N[C@@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C19H25N5O2/c20-22-21-16-13-17(19(26)23-11-4-5-12-23)24(14-16)18(25)10-6-9-15-7-2-1-3-8-15/h1-3,7-8,16-17H,4-6,9-14H2/t16-,17+/m1/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50399722
PNG
(CHEMBL2178975)
Show SMILES O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(CN2CCNCC2)nn1 |r|
Show InChI InChI=1S/C26H37N7O2/c34-25(10-6-9-21-7-2-1-3-8-21)32-20-23(17-24(32)26(35)31-13-4-5-14-31)33-19-22(28-29-33)18-30-15-11-27-12-16-30/h1-3,7-8,19,23-24,27H,4-6,9-18,20H2/t23-,24-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50399728
PNG
(CHEMBL2178969)
Show SMILES O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccn1 |r|
Show InChI InChI=1S/C26H30N6O2/c33-25(13-8-11-20-9-2-1-3-10-20)31-18-21(17-24(31)26(34)30-15-6-7-16-30)32-19-23(28-29-32)22-12-4-5-14-27-22/h1-5,9-10,12,14,19,21,24H,6-8,11,13,15-18H2/t21-,24-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50399729
PNG
(CHEMBL2178968)
Show SMILES O=C(OCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H26N6O3/c31-23(28-12-6-7-13-28)22-14-19(30-16-21(26-27-30)20-10-4-5-11-25-20)15-29(22)24(32)33-17-18-8-2-1-3-9-18/h1-5,8-11,16,19,22H,6-7,12-15,17H2/t19-,22-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50399741
PNG
(CHEMBL2179405)
Show SMILES C[Si](C)(C)c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C22H31N5O3Si/c1-31(2,3)20-15-27(24-23-20)18-13-19(21(28)25-11-7-8-12-25)26(14-18)22(29)30-16-17-9-5-4-6-10-17/h4-6,9-10,15,18-19H,7-8,11-14,16H2,1-3H3/t18-,19-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Mus musculus (Mouse))
BDBM50399719
PNG
(CHEMBL2178957)
Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)[C@@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C27H38N6O4/c1-27(2,3)37-26(36)28-17-21-18-33(30-29-21)22-16-23(25(35)31-14-7-8-15-31)32(19-22)24(34)13-9-12-20-10-5-4-6-11-20/h4-6,10-11,18,22-23H,7-9,12-17,19H2,1-3H3,(H,28,36)/t22-,23+/m1/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Mus musculus (Mouse))
BDBM50399721
PNG
(CHEMBL2178955)
Show SMILES [N-]=[N+]=N[C@@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C19H25N5O2/c20-22-21-16-13-17(19(26)23-11-4-5-12-23)24(14-16)18(25)10-6-9-15-7-2-1-3-8-15/h1-3,7-8,16-17H,4-6,9-14H2/t16-,17+/m1/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Mus musculus (Mouse))
BDBM50399724
PNG
(CHEMBL2178973)
Show SMILES O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(CN2CCOCC2)nn1 |r|
Show InChI InChI=1S/C26H36N6O3/c33-25(10-6-9-21-7-2-1-3-8-21)31-20-23(17-24(31)26(34)30-11-4-5-12-30)32-19-22(27-28-32)18-29-13-15-35-16-14-29/h1-3,7-8,19,23-24H,4-6,9-18,20H2/t23-,24-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Mus musculus (Mouse))
BDBM50399726
PNG
(CHEMBL2178971)
Show SMILES NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C22H30N6O2/c23-14-18-15-28(25-24-18)19-13-20(22(30)26-11-4-5-12-26)27(16-19)21(29)10-6-9-17-7-2-1-3-8-17/h1-3,7-8,15,19-20H,4-6,9-14,16,23H2/t19-,20-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Mus musculus (Mouse))
BDBM50399729
PNG
(CHEMBL2178968)
Show SMILES O=C(OCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H26N6O3/c31-23(28-12-6-7-13-28)22-14-19(30-16-21(26-27-30)20-10-4-5-11-25-20)15-29(22)24(32)33-17-18-8-2-1-3-9-18/h1-5,8-11,16,19,22H,6-7,12-15,17H2/t19-,22-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50399718
PNG
(CHEMBL2178958)
Show SMILES [N-]=[N+]=N[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C20H24N6O2/c21-13-17-9-5-11-25(17)20(28)18-12-16(23-24-22)14-26(18)19(27)10-4-8-15-6-2-1-3-7-15/h1-3,6-7,16-18H,4-5,8-12,14H2/t16-,17-,18-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50399731
PNG
(CHEMBL2178966)
Show SMILES Clc1ccccc1-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C27H30ClN5O2/c28-23-13-5-4-12-22(23)24-19-33(30-29-24)21-17-25(27(35)31-15-6-7-16-31)32(18-21)26(34)14-8-11-20-9-2-1-3-10-20/h1-5,9-10,12-13,19,21,25H,6-8,11,14-18H2/t21-,25-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50399738
PNG
(CHEMBL2179408)
Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C25H34N6O5/c1-25(2,3)36-23(33)26-14-19-15-31(28-27-19)20-13-21(22(32)29-11-7-8-12-29)30(16-20)24(34)35-17-18-9-5-4-6-10-18/h4-6,9-10,15,20-21H,7-8,11-14,16-17H2,1-3H3,(H,26,33)/t20-,21-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50316820
PNG
((S)-benzyl 2-(pyrrolidine-1-carbonyl)pyrrolidine-1...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C17H22N2O3/c20-16(18-10-4-5-11-18)15-9-6-12-19(15)17(21)22-13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2/t15-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50399723
PNG
(CHEMBL2178974)
Show SMILES CC(C)(C)OC(=O)N1CCN(Cc2cn(nn2)[C@H]2C[C@H](N(C2)C(=O)CCCc2ccccc2)C(=O)N2CCCC2)CC1 |r|
Show InChI InChI=1S/C31H45N7O4/c1-31(2,3)42-30(41)36-18-16-34(17-19-36)21-25-22-38(33-32-25)26-20-27(29(40)35-14-7-8-15-35)37(23-26)28(39)13-9-12-24-10-5-4-6-11-24/h4-6,10-11,22,26-27H,7-9,12-21,23H2,1-3H3/t26-,27-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50399727
PNG
(CHEMBL2178970)
Show SMILES O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(COCc2ccccc2)nn1 |r|
Show InChI InChI=1S/C29H35N5O3/c35-28(15-9-14-23-10-3-1-4-11-23)33-20-26(18-27(33)29(36)32-16-7-8-17-32)34-19-25(30-31-34)22-37-21-24-12-5-2-6-13-24/h1-6,10-13,19,26-27H,7-9,14-18,20-22H2/t26-,27-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50399735
PNG
(CHEMBL2178962)
Show SMILES O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccc1 |r|
Show InChI InChI=1S/C27H31N5O2/c33-26(15-9-12-21-10-3-1-4-11-21)31-19-23(18-25(31)27(34)30-16-7-8-17-30)32-20-24(28-29-32)22-13-5-2-6-14-22/h1-6,10-11,13-14,20,23,25H,7-9,12,15-19H2/t23-,25-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50399743
PNG
(CHEMBL2178978)
Show SMILES [N-]=[N+]=N[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C19H25N5O2/c20-22-21-16-13-17(19(26)23-11-4-5-12-23)24(14-16)18(25)10-6-9-15-7-2-1-3-8-15/h1-3,7-8,16-17H,4-6,9-14H2/t16-,17-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Mus musculus (Mouse))
BDBM50399722
PNG
(CHEMBL2178975)
Show SMILES O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(CN2CCNCC2)nn1 |r|
Show InChI InChI=1S/C26H37N7O2/c34-25(10-6-9-21-7-2-1-3-8-21)32-20-23(17-24(32)26(35)31-13-4-5-14-31)33-19-22(28-29-33)18-30-15-11-27-12-16-30/h1-3,7-8,19,23-24,27H,4-6,9-18,20H2/t23-,24-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Mus musculus (Mouse))
BDBM50399728
PNG
(CHEMBL2178969)
Show SMILES O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)-c1ccccn1 |r|
Show InChI InChI=1S/C26H30N6O2/c33-25(13-8-11-20-9-2-1-3-10-20)31-18-21(17-24(31)26(34)30-15-6-7-16-30)32-19-23(28-29-32)22-12-4-5-14-27-22/h1-5,9-10,12,14,19,21,24H,6-8,11,13,15-18H2/t21-,24-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50155838
PNG
((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...)
Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50399737
PNG
(CHEMBL2178960)
Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C27H38N6O4/c1-27(2,3)37-26(36)28-17-21-18-33(30-29-21)22-16-23(25(35)31-14-7-8-15-31)32(19-22)24(34)13-9-12-20-10-5-4-6-11-20/h4-6,10-11,18,22-23H,7-9,12-17,19H2,1-3H3,(H,28,36)/t22-,23-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50399718
PNG
(CHEMBL2178958)
Show SMILES [N-]=[N+]=N[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C20H24N6O2/c21-13-17-9-5-11-25(17)20(28)18-12-16(23-24-22)14-26(18)19(27)10-4-8-15-6-2-1-3-7-15/h1-3,6-7,16-18H,4-5,8-12,14H2/t16-,17-,18-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50399740
PNG
(CHEMBL2179406)
Show SMILES O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)C1CC1 |r|
Show InChI InChI=1S/C24H31N5O2/c30-23(10-6-9-18-7-2-1-3-8-18)28-16-20(29-17-21(25-26-29)19-11-12-19)15-22(28)24(31)27-13-4-5-14-27/h1-3,7-8,17,19-20,22H,4-6,9-16H2/t20-,22-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50399744
PNG
(CHEMBL2178977)
Show SMILES [N-]=[N+]=N[C@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C17H21N5O3/c18-20-19-14-10-15(16(23)21-8-4-5-9-21)22(11-14)17(24)25-12-13-6-2-1-3-7-13/h1-3,6-7,14-15H,4-5,8-12H2/t14-,15-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Mus musculus (Mouse))
BDBM50399717
PNG
(CHEMBL2178959)
Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C28H37N7O4/c1-28(2,3)39-27(38)30-17-21-18-35(32-31-21)23-15-24(26(37)33-14-8-12-22(33)16-29)34(19-23)25(36)13-7-11-20-9-5-4-6-10-20/h4-6,9-10,18,22-24H,7-8,11-15,17,19H2,1-3H3,(H,30,38)/t22-,23-,24-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Mus musculus (Mouse))
BDBM50399718
PNG
(CHEMBL2178958)
Show SMILES [N-]=[N+]=N[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C20H24N6O2/c21-13-17-9-5-11-25(17)20(28)18-12-16(23-24-22)14-26(18)19(27)10-4-8-15-6-2-1-3-7-15/h1-3,6-7,16-18H,4-5,8-12,14H2/t16-,17-,18-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Mus musculus (Mouse))
BDBM50399730
PNG
(CHEMBL2178967)
Show SMILES Brc1ccc(cc1)-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C27H30BrN5O2/c28-22-13-11-21(12-14-22)24-19-33(30-29-24)23-17-25(27(35)31-15-4-5-16-31)32(18-23)26(34)10-6-9-20-7-2-1-3-8-20/h1-3,7-8,11-14,19,23,25H,4-6,9-10,15-18H2/t23-,25-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Mus musculus (Mouse))
BDBM50399737
PNG
(CHEMBL2178960)
Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C27H38N6O4/c1-27(2,3)37-26(36)28-17-21-18-33(30-29-21)22-16-23(25(35)31-14-7-8-15-31)32(19-22)24(34)13-9-12-20-10-5-4-6-11-20/h4-6,10-11,18,22-23H,7-9,12-17,19H2,1-3H3,(H,28,36)/t22-,23-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Mus musculus (Mouse))
BDBM50399740
PNG
(CHEMBL2179406)
Show SMILES O=C(CCCc1ccccc1)N1C[C@H](C[C@H]1C(=O)N1CCCC1)n1cc(nn1)C1CC1 |r|
Show InChI InChI=1S/C24H31N5O2/c30-23(10-6-9-18-7-2-1-3-8-18)28-16-20(29-17-21(25-26-29)19-11-12-19)15-22(28)24(31)27-13-4-5-14-27/h1-3,7-8,17,19-20,22H,4-6,9-16H2/t20-,22-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
Prolyl endopeptidase FAP


(Mus musculus (Mouse))
BDBM50399741
PNG
(CHEMBL2179405)
Show SMILES C[Si](C)(C)c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C22H31N5O3Si/c1-31(2,3)20-15-27(24-23-20)18-13-19(21(28)25-11-7-8-12-25)26(14-18)22(29)30-16-17-9-5-4-6-10-17/h4-6,9-10,15,18-19H,7-8,11-14,16H2,1-3H3/t18-,19-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...


J Med Chem 55: 9856-67 (2012)


Article DOI: 10.1021/jm301060g
BindingDB Entry DOI: 10.7270/Q2SN0B3S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%