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Compile Data Set for Download or QSAR

Found 2263 hits with Last Name = 'van der veken' and Initial = 'p'   
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))
BDBM50146972
PNG
((S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1...)
Show SMILES N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C16H24ClN3O/c17-14-6-4-13(5-7-14)12-19-9-8-15(18)16(21)20-10-2-1-3-11-20/h4-7,15,19H,1-3,8-12,18H2/t15-/m0/s1
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0.0820n/an/an/an/an/an/an/an/a



Laboratory of Medicinal Chemistry University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 16: 4777-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.082
BindingDB Entry DOI: 10.7270/Q2GM86XS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50146972
PNG
((S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1...)
Show SMILES N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C16H24ClN3O/c17-14-6-4-13(5-7-14)12-19-9-8-15(18)16(21)20-10-2-1-3-11-20/h4-7,15,19H,1-3,8-12,18H2/t15-/m0/s1
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0.0820n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP2 (unknown origin)


Bioorg Med Chem Lett 18: 4154-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.080
BindingDB Entry DOI: 10.7270/Q2G160N3
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50135630
PNG
((S)-2-[(S)-2-(5-Phenyl-isoxazole-3-carbonyl)-pyrro...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C27H27N3O5/c31-25(21-17-24(35-28-21)20-11-5-2-6-12-20)22-13-7-15-29(22)26(32)23-14-8-16-30(23)27(33)34-18-19-9-3-1-4-10-19/h1-6,9-12,17,22-23H,7-8,13-16,18H2/t22-,23-/m0/s1
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0.210n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi


Bioorg Med Chem Lett 13: 2875-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00579-1
BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50135635
PNG
(2-[2-(Isothiazole-3-carbonyl)-pyrrolidine-1-carbon...)
Show SMILES O=C(OCc1ccccc1)N1CCCC1C(=O)N1CCCC1C(=O)c1ccsn1
Show InChI InChI=1S/C21H23N3O4S/c25-19(16-10-13-29-22-16)17-8-4-11-23(17)20(26)18-9-5-12-24(18)21(27)28-14-15-6-2-1-3-7-15/h1-3,6-7,10,13,17-18H,4-5,8-9,11-12,14H2
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0.260n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi


Bioorg Med Chem Lett 13: 2875-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00579-1
BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50135633
PNG
((S)-2-[(S)-2-(5-Benzyloxymethyl-isoxazole-3-carbon...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1
Show InChI InChI=1S/C29H31N3O6/c33-27(24-17-23(38-30-24)20-36-18-21-9-3-1-4-10-21)25-13-7-15-31(25)28(34)26-14-8-16-32(26)29(35)37-19-22-11-5-2-6-12-22/h1-6,9-12,17,25-26H,7-8,13-16,18-20H2/t25-,26-/m0/s1
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0.280n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human


Bioorg Med Chem Lett 13: 2875-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00579-1
BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50135637
PNG
(1-{(S)-2-[(S)-2-(5-Benzyloxymethyl-isoxazole-3-car...)
Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1
Show InChI InChI=1S/C31H35N3O5/c35-29(17-7-14-23-10-3-1-4-11-23)33-18-9-16-28(33)31(37)34-19-8-15-27(34)30(36)26-20-25(39-32-26)22-38-21-24-12-5-2-6-13-24/h1-6,10-13,20,27-28H,7-9,14-19,21-22H2/t27-,28-/m0/s1
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0.340n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human


Bioorg Med Chem Lett 13: 2875-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00579-1
BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50135634
PNG
((S)-2-[(S)-2-(5-Trimethylsilanyl-isoxazole-3-carbo...)
Show SMILES C[Si](C)(C)c1cc(no1)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H31N3O5Si/c1-33(2,3)21-15-18(25-32-21)22(28)19-11-7-13-26(19)23(29)20-12-8-14-27(20)24(30)31-16-17-9-5-4-6-10-17/h4-6,9-10,15,19-20H,7-8,11-14,16H2,1-3H3/t19-,20-/m0/s1
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0.450n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human


Bioorg Med Chem Lett 13: 2875-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00579-1
BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50135633
PNG
((S)-2-[(S)-2-(5-Benzyloxymethyl-isoxazole-3-carbon...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1
Show InChI InChI=1S/C29H31N3O6/c33-27(24-17-23(38-30-24)20-36-18-21-9-3-1-4-10-21)25-13-7-15-31(25)28(34)26-14-8-16-32(26)29(35)37-19-22-11-5-2-6-12-22/h1-6,9-12,17,25-26H,7-8,13-16,18-20H2/t25-,26-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi


Bioorg Med Chem Lett 13: 2875-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00579-1
BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50135630
PNG
((S)-2-[(S)-2-(5-Phenyl-isoxazole-3-carbonyl)-pyrro...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C27H27N3O5/c31-25(21-17-24(35-28-21)20-11-5-2-6-12-20)22-13-7-15-29(22)26(32)23-14-8-16-30(23)27(33)34-18-19-9-3-1-4-10-19/h1-6,9-12,17,22-23H,7-8,13-16,18H2/t22-,23-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi


Bioorg Med Chem Lett 13: 2875-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00579-1
BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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2n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibition of Dipeptidyl Peptidase IV


Bioorg Med Chem Lett 12: 2825-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00603-0
BindingDB Entry DOI: 10.7270/Q279457M
More data for this
Ligand-Target Pair
Fibroblast activation protein (FAP)


(Mus musculus (Mouse))
BDBM50434188
PNG
(CHEMBL2385281 | US9346814, Cmpd No 2 Example 3)
Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N
Show InChI InChI=1S/C17H16N4O2/c18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15/h1-2,5-8,12H,3-4,9,11H2,(H,20,23)/t12-/m0/s1
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3n/an/an/an/an/an/an/an/a



University of Antwerp (UA)

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...


ACS Med Chem Lett 4: 491-6 (2013)


Article DOI: 10.1021/ml300410d
BindingDB Entry DOI: 10.7270/Q2KP83J7
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50135633
PNG
((S)-2-[(S)-2-(5-Benzyloxymethyl-isoxazole-3-carbon...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1
Show InChI InChI=1S/C29H31N3O6/c33-27(24-17-23(38-30-24)20-36-18-21-9-3-1-4-10-21)25-13-7-15-31(25)28(34)26-14-8-16-32(26)29(35)37-19-22-11-5-2-6-12-22/h1-6,9-12,17,25-26H,7-8,13-16,18-20H2/t25-,26-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of PKD2 ( assessed as residual activity at 1 uM ) by TR-FRET assay


Bioorg Med Chem Lett 13: 2875-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00579-1
BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50135633
PNG
((S)-2-[(S)-2-(5-Benzyloxymethyl-isoxazole-3-carbon...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1
Show InChI InChI=1S/C29H31N3O6/c33-27(24-17-23(38-30-24)20-36-18-21-9-3-1-4-10-21)25-13-7-15-31(25)28(34)26-14-8-16-32(26)29(35)37-19-22-11-5-2-6-12-22/h1-6,9-12,17,25-26H,7-8,13-16,18-20H2/t25-,26-/m0/s1
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4n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human


Bioorg Med Chem Lett 13: 2875-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00579-1
BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Fibroblast activation protein (FAP)


(Mus musculus (Mouse))
BDBM50434169
PNG
(CHEMBL2385300 | US9346814, Cmpd No 22 Example 26)
Show SMILES Brc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12
Show InChI InChI=1S/C17H15BrN4O2/c18-13-4-1-5-14-16(13)12(6-7-20-14)17(24)21-10-15(23)22-8-2-3-11(22)9-19/h1,4-7,11H,2-3,8,10H2,(H,21,24)/t11-/m0/s1
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4.10n/an/an/an/an/an/an/an/a



University of Antwerp (UA)

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...


ACS Med Chem Lett 4: 491-6 (2013)


Article DOI: 10.1021/ml300410d
BindingDB Entry DOI: 10.7270/Q2KP83J7
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50135633
PNG
((S)-2-[(S)-2-(5-Benzyloxymethyl-isoxazole-3-carbon...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1
Show InChI InChI=1S/C29H31N3O6/c33-27(24-17-23(38-30-24)20-36-18-21-9-3-1-4-10-21)25-13-7-15-31(25)28(34)26-14-8-16-32(26)29(35)37-19-22-11-5-2-6-12-22/h1-6,9-12,17,25-26H,7-8,13-16,18-20H2/t25-,26-/m0/s1
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6n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human


Bioorg Med Chem Lett 13: 2875-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00579-1
BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50350167
PNG
(CHEMBL1814741)
Show SMILES N[C@@H](CC(=O)N1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C1
Show InChI InChI=1S/C29H31ClN4O2/c30-25-12-10-22(11-13-25)28(21-6-2-1-3-7-21)33-16-14-32(15-17-33)27(35)18-26(31)29(36)34-19-23-8-4-5-9-24(23)20-34/h1-13,26,28H,14-20,31H2/t26-,28?/m0/s1
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6.5n/an/an/an/an/an/an/an/a



University of Antwerp (UA)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human DPP8 assessed as pNA release from Ala-Pro- p-nitroanilide substrate pre-incubated with enzyme for 15 min ...


J Med Chem 54: 5737-46 (2011)


Article DOI: 10.1021/jm200383j
BindingDB Entry DOI: 10.7270/Q2G73F37
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50135636
PNG
((S)-2-[(S)-2-(5-Cyano-isoxazole-3-carbonyl)-pyrrol...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)C#N
Show InChI InChI=1S/C22H22N4O5/c23-13-16-12-17(24-31-16)20(27)18-8-4-10-25(18)21(28)19-9-5-11-26(19)22(29)30-14-15-6-2-1-3-7-15/h1-3,6-7,12,18-19H,4-5,8-11,14H2/t18-,19-/m0/s1
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7.5n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi


Bioorg Med Chem Lett 13: 2875-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00579-1
BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50110025
PNG
(CHEMBL158405 | N-(BENZYLSULFONYL)-D-SERYL-N-{4-[AM...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C21H27N5O5S/c1-14(20(28)24-11-15-7-9-17(10-8-15)19(22)23)25-21(29)18(12-27)26-32(30,31)13-16-5-3-2-4-6-16/h2-10,14,18,26-27H,11-13H2,1H3,(H3,22,23)(H,24,28)(H,25,29)/t14-,18+/m0/s1
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7.70n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA using pyroGlu-Gly-Arg-p-NA.HCl as substrate preincubated for 15 mins prior sustrate addition measured for 10 mins by spectrop...


Bioorg Med Chem 20: 1557-68 (2012)


Article DOI: 10.1016/j.bmc.2011.12.040
BindingDB Entry DOI: 10.7270/Q2QR4XK1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50135630
PNG
((S)-2-[(S)-2-(5-Phenyl-isoxazole-3-carbonyl)-pyrro...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C27H27N3O5/c31-25(21-17-24(35-28-21)20-11-5-2-6-12-20)22-13-7-15-29(22)26(32)23-14-8-16-30(23)27(33)34-18-19-9-3-1-4-10-19/h1-6,9-12,17,22-23H,7-8,13-16,18H2/t22-,23-/m0/s1
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10n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human; Moderately active


Bioorg Med Chem Lett 13: 2875-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00579-1
BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50135630
PNG
((S)-2-[(S)-2-(5-Phenyl-isoxazole-3-carbonyl)-pyrro...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C27H27N3O5/c31-25(21-17-24(35-28-21)20-11-5-2-6-12-20)22-13-7-15-29(22)26(32)23-14-8-16-30(23)27(33)34-18-19-9-3-1-4-10-19/h1-6,9-12,17,22-23H,7-8,13-16,18H2/t22-,23-/m0/s1
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15n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi


Bioorg Med Chem Lett 13: 2875-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00579-1
BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50135635
PNG
(2-[2-(Isothiazole-3-carbonyl)-pyrrolidine-1-carbon...)
Show SMILES O=C(OCc1ccccc1)N1CCCC1C(=O)N1CCCC1C(=O)c1ccsn1
Show InChI InChI=1S/C21H23N3O4S/c25-19(16-10-13-29-22-16)17-8-4-11-23(17)20(26)18-9-5-12-24(18)21(27)28-14-15-6-2-1-3-7-15/h1-3,6-7,10,13,17-18H,4-5,8-9,11-12,14H2
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16n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human


Bioorg Med Chem Lett 13: 2875-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00579-1
BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50228427
PNG
((R)-N-[(S)-1-(4-guanidino-benzylcarbamoyl)-ethyl]-...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)N=C(N)N
Show InChI InChI=1S/C21H28N6O5S/c1-14(19(29)24-11-15-7-9-17(10-8-15)26-21(22)23)25-20(30)18(12-28)27-33(31,32)13-16-5-3-2-4-6-16/h2-10,14,18,27-28H,11-13H2,1H3,(H,24,29)(H,25,30)(H4,22,23,26)/t14-,18+/m0/s1
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16n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA


J Med Chem 50: 6638-46 (2007)


Article DOI: 10.1021/jm700962j
BindingDB Entry DOI: 10.7270/Q2MW2J0J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50135634
PNG
((S)-2-[(S)-2-(5-Trimethylsilanyl-isoxazole-3-carbo...)
Show SMILES C[Si](C)(C)c1cc(no1)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C24H31N3O5Si/c1-33(2,3)21-15-18(25-32-21)22(28)19-11-7-13-26(19)23(29)20-12-8-14-27(20)24(30)31-16-17-9-5-4-6-10-17/h4-6,9-10,15,19-20H,7-8,11-14,16H2,1-3H3/t19-,20-/m0/s1
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19n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human


Bioorg Med Chem Lett 13: 2875-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00579-1
BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50135632
PNG
((S)-2-[(S)-2-(Isoxazole-3-carbonyl)-pyrrolidine-1-...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1ccon1
Show InChI InChI=1S/C21H23N3O5/c25-19(16-10-13-29-22-16)17-8-4-11-23(17)20(26)18-9-5-12-24(18)21(27)28-14-15-6-2-1-3-7-15/h1-3,6-7,10,13,17-18H,4-5,8-9,11-12,14H2/t17-,18-/m0/s1
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36n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against prolyl oligopeptidase (PO) in human


Bioorg Med Chem Lett 13: 2875-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00579-1
BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50350175
PNG
(CHEMBL1814749)
Show SMILES C[C@@H]1CN(CCN1C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)C[C@H](N)C(=O)N1Cc2ccccc2C1
Show InChI InChI=1S/C30H32F2N4O2/c1-20-17-34(28(37)16-27(33)30(38)35-18-23-4-2-3-5-24(23)19-35)14-15-36(20)29(21-6-10-25(31)11-7-21)22-8-12-26(32)13-9-22/h2-13,20,27,29H,14-19,33H2,1H3/t20-,27+/m1/s1
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37n/an/an/an/an/an/an/an/a



University of Antwerp (UA)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human DPP8 assessed as pNA release from Ala-Pro- p-nitroanilide substrate pre-incubated with enzyme for 15 min ...


J Med Chem 54: 5737-46 (2011)


Article DOI: 10.1021/jm200383j
BindingDB Entry DOI: 10.7270/Q2G73F37
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50135636
PNG
((S)-2-[(S)-2-(5-Cyano-isoxazole-3-carbonyl)-pyrrol...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)C#N
Show InChI InChI=1S/C22H22N4O5/c23-13-16-12-17(24-31-16)20(27)18-8-4-10-25(18)21(28)19-9-5-11-26(19)22(29)30-14-15-6-2-1-3-7-15/h1-3,6-7,12,18-19H,4-5,8-11,14H2/t18-,19-/m0/s1
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38n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (PO) in human


Bioorg Med Chem Lett 13: 2875-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00579-1
BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138662
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (4-a...)
Show SMILES NCc1ccc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc1
Show InChI InChI=1S/C19H18N4O/c20-11-12-1-7-17(8-2-12)23-19(24)16-6-4-13-9-15(18(21)22)5-3-14(13)10-16/h1-10H,11,20H2,(H3,21,22)(H,23,24)
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40n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA using pyroGlu-Gly-Arg-p-NA.HCl as substrate preincubated for 15 mins prior sustrate addition measured for 10 mins by spectrop...


Bioorg Med Chem 20: 1557-68 (2012)


Article DOI: 10.1016/j.bmc.2011.12.040
BindingDB Entry DOI: 10.7270/Q2QR4XK1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50135632
PNG
((S)-2-[(S)-2-(Isoxazole-3-carbonyl)-pyrrolidine-1-...)
Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1ccon1
Show InChI InChI=1S/C21H23N3O5/c25-19(16-10-13-29-22-16)17-8-4-11-23(17)20(26)18-9-5-12-24(18)21(27)28-14-15-6-2-1-3-7-15/h1-3,6-7,10,13,17-18H,4-5,8-9,11-12,14H2/t17-,18-/m0/s1
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72n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi


Bioorg Med Chem Lett 13: 2875-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00579-1
BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50110025
PNG
(CHEMBL158405 | N-(BENZYLSULFONYL)-D-SERYL-N-{4-[AM...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C21H27N5O5S/c1-14(20(28)24-11-15-7-9-17(10-8-15)19(22)23)25-21(29)18(12-27)26-32(30,31)13-16-5-3-2-4-6-16/h2-10,14,18,26-27H,11-13H2,1H3,(H3,22,23)(H,24,28)(H,25,29)/t14-,18+/m0/s1
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100n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human plasma thrombin using pyroGlu-Pro-Arg-p-NA.HCl as substrate preincubated for 15 mins prior sustrate addition measured for 10 mins...


Bioorg Med Chem 20: 1557-68 (2012)


Article DOI: 10.1016/j.bmc.2011.12.040
BindingDB Entry DOI: 10.7270/Q2QR4XK1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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125n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibition of Dipeptidyl Peptidase II (Quiescent cell proline peptidase)


Bioorg Med Chem Lett 12: 2825-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00603-0
BindingDB Entry DOI: 10.7270/Q279457M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11464
PNG
((2S,3S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)p...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N1CCSC1
Show InChI InChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7-,8-/m0/s1
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126n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against Dipeptidylpeptidase IV (DPP IV)


J Med Chem 46: 5005-14 (2003)


Article DOI: 10.1021/jm0308803
BindingDB Entry DOI: 10.7270/Q2W37X2F
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11464
PNG
((2S,3S)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)p...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N1CCSC1
Show InChI InChI=1S/C9H18N2OS/c1-3-7(2)8(10)9(12)11-4-5-13-6-11/h7-8H,3-6,10H2,1-2H3/t7-,8-/m0/s1
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126n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibition of Dipeptidyl Peptidase IV


Bioorg Med Chem Lett 12: 2825-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00603-0
BindingDB Entry DOI: 10.7270/Q279457M
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138678
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (3,5...)
Show SMILES COc1cc(NC(=O)c2ccc3cc(ccc3c2)C(N)=N)cc(OC)c1
Show InChI InChI=1S/C20H19N3O3/c1-25-17-9-16(10-18(11-17)26-2)23-20(24)15-6-4-12-7-14(19(21)22)5-3-13(12)8-15/h3-11H,1-2H3,(H3,21,22)(H,23,24)
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139n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA using pyroGlu-Gly-Arg-p-NA.HCl as substrate preincubated for 15 mins prior sustrate addition measured for 10 mins by spectrop...


Bioorg Med Chem 20: 1557-68 (2012)


Article DOI: 10.1016/j.bmc.2011.12.040
BindingDB Entry DOI: 10.7270/Q2QR4XK1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50118940
PNG
((S)-1-((S)-2-Amino-propionyl)-pyrrolidine-2-carbon...)
Show SMILES C[C@H](N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C8H13N3O/c1-6(10)8(12)11-4-2-3-7(11)5-9/h6-7H,2-4,10H2,1H3/t6-,7-/m0/s1
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200n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibition of Dipeptidyl Peptidase IV


Bioorg Med Chem Lett 12: 2825-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00603-0
BindingDB Entry DOI: 10.7270/Q279457M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50118943
PNG
((2S,3S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)pentan...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N1CCCC1
Show InChI InChI=1S/C10H20N2O/c1-3-8(2)9(11)10(13)12-6-4-5-7-12/h8-9H,3-7,11H2,1-2H3/t8-,9-/m0/s1
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218n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibition of Dipeptidyl Peptidase IV


Bioorg Med Chem Lett 12: 2825-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00603-0
BindingDB Entry DOI: 10.7270/Q279457M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50366428
PNG
(CHEMBL1793966)
Show SMILES CC(O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C@H](C)O)C(=O)N1)C(O)=O
Show InChI InChI=1S/C49H64N10O11S2/c1-27(60)40-48(68)57-39(47(67)59-41(28(2)61)49(69)70)26-72-71-25-38(56-42(62)33(51)21-29-13-5-3-6-14-29)46(66)54-36(22-30-15-7-4-8-16-30)44(64)55-37(23-31-24-52-34-18-10-9-17-32(31)34)45(65)53-35(43(63)58-40)19-11-12-20-50/h3-10,13-18,24,27-28,33,35-41,52,60-61H,11-12,19-23,25-26,50-51H2,1-2H3,(H,53,65)(H,54,66)(H,55,64)(H,56,62)(H,57,68)(H,58,63)(H,59,67)(H,69,70)/t27-,28?,33-,35-,36-,37+,38-,39+,40+,41-/m0/s1
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218n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against Dipeptidylpeptidase IV (DPP IV)


J Med Chem 46: 5005-14 (2003)


Article DOI: 10.1021/jm0308803
BindingDB Entry DOI: 10.7270/Q2W37X2F
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50118934
PNG
((S)-2-Amino-1-thiazolidin-3-yl-propane-1-thione | ...)
Show SMILES C[C@H](N)C(=S)N1CCSC1
Show InChI InChI=1S/C6H12N2S2/c1-5(7)6(9)8-2-3-10-4-8/h5H,2-4,7H2,1H3/t5-/m0/s1
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277n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibition of Dipeptidyl Peptidase II (Quiescent cell proline peptidase)


Bioorg Med Chem Lett 12: 2825-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00603-0
BindingDB Entry DOI: 10.7270/Q279457M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50118934
PNG
((S)-2-Amino-1-thiazolidin-3-yl-propane-1-thione | ...)
Show SMILES C[C@H](N)C(=S)N1CCSC1
Show InChI InChI=1S/C6H12N2S2/c1-5(7)6(9)8-2-3-10-4-8/h5H,2-4,7H2,1H3/t5-/m0/s1
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277n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against Dipeptidylpeptidase II (DPP II)


J Med Chem 46: 5005-14 (2003)


Article DOI: 10.1021/jm0308803
BindingDB Entry DOI: 10.7270/Q2W37X2F
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM23891
PNG
(3-amidinophenylalanine deriv., 35 | CHEMBL107955 |...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)/t28-/m0/s1
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390n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human plasma plasmin using pyroGlu-Pro-Arg-p-NA.HCl as substrate preincubated for 15 mins prior sustrate addition measured for 10 mins ...


Bioorg Med Chem 20: 1557-68 (2012)


Article DOI: 10.1016/j.bmc.2011.12.040
BindingDB Entry DOI: 10.7270/Q2QR4XK1
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM23891
PNG
(3-amidinophenylalanine deriv., 35 | CHEMBL107955 |...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)/t28-/m0/s1
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410n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA using pyroGlu-Gly-Arg-p-NA.HCl as substrate preincubated for 15 mins prior sustrate addition measured for 10 mins by spectrop...


Bioorg Med Chem 20: 1557-68 (2012)


Article DOI: 10.1016/j.bmc.2011.12.040
BindingDB Entry DOI: 10.7270/Q2QR4XK1
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM23891
PNG
(3-amidinophenylalanine deriv., 35 | CHEMBL107955 |...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)/t28-/m0/s1
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490n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human plasma thrombin using pyroGlu-Pro-Arg-p-NA.HCl as substrate preincubated for 15 mins prior sustrate addition measured for 10 mins...


Bioorg Med Chem 20: 1557-68 (2012)


Article DOI: 10.1016/j.bmc.2011.12.040
BindingDB Entry DOI: 10.7270/Q2QR4XK1
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50110025
PNG
(CHEMBL158405 | N-(BENZYLSULFONYL)-D-SERYL-N-{4-[AM...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C21H27N5O5S/c1-14(20(28)24-11-15-7-9-17(10-8-15)19(22)23)25-21(29)18(12-27)26-32(30,31)13-16-5-3-2-4-6-16/h2-10,14,18,26-27H,11-13H2,1H3,(H3,22,23)(H,24,28)(H,25,29)/t14-,18+/m0/s1
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540n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human plasma plasmin using pyroGlu-Pro-Arg-p-NA.HCl as substrate preincubated for 15 mins prior sustrate addition measured for 10 mins ...


Bioorg Med Chem 20: 1557-68 (2012)


Article DOI: 10.1016/j.bmc.2011.12.040
BindingDB Entry DOI: 10.7270/Q2QR4XK1
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138670
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid phen...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)
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631n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human uPA using pyroGlu-Gly-Arg-p-NA.HCl as substrate preincubated for 15 mins prior sustrate addition measured for 10 mins by spectrop...


Bioorg Med Chem 20: 1557-68 (2012)


Article DOI: 10.1016/j.bmc.2011.12.040
BindingDB Entry DOI: 10.7270/Q2QR4XK1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50135631
PNG
(3-[(S)-1-((S)-1-Benzyloxycarbonyl-pyrrolidine-2-ca...)
Show SMILES COC(=O)c1onc(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)c1C(=O)OC
Show InChI InChI=1S/C25H27N3O9/c1-34-23(31)18-19(26-37-21(18)24(32)35-2)20(29)16-10-6-12-27(16)22(30)17-11-7-13-28(17)25(33)36-14-15-8-4-3-5-9-15/h3-5,8-9,16-17H,6-7,10-14H2,1-2H3/t16-,17-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi; Moderately active


Bioorg Med Chem Lett 13: 2875-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00579-1
BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50135631
PNG
(3-[(S)-1-((S)-1-Benzyloxycarbonyl-pyrrolidine-2-ca...)
Show SMILES COC(=O)c1onc(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)c1C(=O)OC
Show InChI InChI=1S/C25H27N3O9/c1-34-23(31)18-19(26-37-21(18)24(32)35-2)20(29)16-10-6-12-27(16)22(30)17-11-7-13-28(17)25(33)36-14-15-8-4-3-5-9-15/h3-5,8-9,16-17H,6-7,10-14H2,1-2H3/t16-,17-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound determined against prolyl oligopeptidase (Tc80) in Trypanosoma cruzi


Bioorg Med Chem Lett 13: 2875-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00579-1
BindingDB Entry DOI: 10.7270/Q2JW8D9K
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50118946
PNG
((S)-2-Amino-1-pyrrolidin-1-yl-propane-1-thione | C...)
Show SMILES C[C@H](N)C(=S)N1CCCC1
Show InChI InChI=1S/C7H14N2S/c1-6(8)7(10)9-4-2-3-5-9/h6H,2-5,8H2,1H3/t6-/m0/s1
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1.43E+3n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibition of Dipeptidyl Peptidase II (Quiescent cell proline peptidase)


Bioorg Med Chem Lett 12: 2825-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00603-0
BindingDB Entry DOI: 10.7270/Q279457M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50118946
PNG
((S)-2-Amino-1-pyrrolidin-1-yl-propane-1-thione | C...)
Show SMILES C[C@H](N)C(=S)N1CCCC1
Show InChI InChI=1S/C7H14N2S/c1-6(8)7(10)9-4-2-3-5-9/h6H,2-5,8H2,1H3/t6-/m0/s1
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1.43E+3n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against Dipeptidylpeptidase II (DPP II)


J Med Chem 46: 5005-14 (2003)


Article DOI: 10.1021/jm0308803
BindingDB Entry DOI: 10.7270/Q2W37X2F
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138670
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid phen...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)
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1.90E+3n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Competitive inhibition of human uPA using pyroGlu-Gly-Arg-p-NA.HCl as substrate preincubated for 15 mins prior sustrate addition measured for 10 mins...


Bioorg Med Chem 20: 1557-68 (2012)


Article DOI: 10.1016/j.bmc.2011.12.040
BindingDB Entry DOI: 10.7270/Q2QR4XK1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Plasminogen


(Homo sapiens (Human))
BDBM50138670
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid phen...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)
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1.95E+3n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human plasma plasmin using pyroGlu-Pro-Arg-p-NA.HCl as substrate preincubated for 15 mins prior sustrate addition measured for 10 mins ...


Bioorg Med Chem 20: 1557-68 (2012)


Article DOI: 10.1016/j.bmc.2011.12.040
BindingDB Entry DOI: 10.7270/Q2QR4XK1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



University of Antwerp (UIA)

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against Dipeptidylpeptidase IV (DPP IV)


J Med Chem 46: 5005-14 (2003)


Article DOI: 10.1021/jm0308803
BindingDB Entry DOI: 10.7270/Q2W37X2F
More data for this
Ligand-Target Pair
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