Found 59 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Prolyl endopeptidase
(Sus scrofa) | BDBM50155838
((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 | PDB
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| 0.0230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of pig POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Prolyl endopeptidase
(Bos taurus) | BDBM50038879
((S)-2-(2-Formyl-pyrrolidine-1-carbonyl)-pyrrolidin...)Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1 | PDB
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| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Prolyl endopeptidase
(Mus musculus) | BDBM50038879
((S)-2-(2-Formyl-pyrrolidine-1-carbonyl)-pyrrolidin...)Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1 | PDB
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| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of mouse brain POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Prolyl endopeptidase
(Sus scrofa) | BDBM50170682
((S)-1-((S)-1-(3-((S)-2-(cyclopentanecarbonyl)pyrro...)Show SMILES O=C(C1CCCC1)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C28H34N4O4/c29-18-22-11-4-14-30(22)28(36)24-13-6-16-32(24)27(35)21-10-3-9-20(17-21)26(34)31-15-5-12-23(31)25(33)19-7-1-2-8-19/h3,9-10,17,19,22-24H,1-2,4-8,11-16H2/t22-,23-,24-/m0/s1 | PDB
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| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of pig brain POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Flavobacterium meningosepticum) | BDBM50038879
((S)-2-(2-Formyl-pyrrolidine-1-carbonyl)-pyrrolidin...)Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1 | UniProtKB/SwissProt
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of Flavobacterium meningosepticum POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Rattus norvegicus) | BDBM50038881
(CHEMBL294803 | Y-29794 | [2-(8-Dimethylamino-octyl...)Show SMILES CC(C)c1ccc(C(=O)c2cccs2)c(SCCCCCCCCN(C)C)n1 Show InChI InChI=1S/C23H34N2OS2/c1-18(2)20-14-13-19(22(26)21-12-11-17-27-21)23(24-20)28-16-10-8-6-5-7-9-15-25(3)4/h11-14,17-18H,5-10,15-16H2,1-4H3 | PDB
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| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of POP in rat brain homogenate |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Rattus norvegicus) | BDBM50316818
(((2S,3aS,7aS)-1-((1R,2R)-2-phenylcyclopropanecarbo...)Show SMILES O=C([C@@H]1C[C@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCSC1 |r| Show InChI InChI=1S/C22H28N2O2S/c25-21(18-13-17(18)15-6-2-1-3-7-15)24-19-9-5-4-8-16(19)12-20(24)22(26)23-10-11-27-14-23/h1-3,6-7,16-20H,4-5,8-14H2/t16-,17-,18+,19-,20-/m0/s1 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
inhibition of rat cortex POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Homo sapiens (Human)) | BDBM50316818
(((2S,3aS,7aS)-1-((1R,2R)-2-phenylcyclopropanecarbo...)Show SMILES O=C([C@@H]1C[C@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCSC1 |r| Show InChI InChI=1S/C22H28N2O2S/c25-21(18-13-17(18)15-6-2-1-3-7-15)24-19-9-5-4-8-16(19)12-20(24)22(26)23-10-11-27-14-23/h1-3,6-7,16-20H,4-5,8-14H2/t16-,17-,18+,19-,20-/m0/s1 | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of human POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Homo sapiens (Human)) | BDBM50200729
((R)-1-(2-(2,5-dichlorobenzamido)acetyl)pyrrolidin-...)Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(Cl)ccc1Cl Show InChI InChI=1S/C13H15BCl2N2O4/c15-8-3-4-10(16)9(6-8)13(20)17-7-12(19)18-5-1-2-11(18)14(21)22/h3-4,6,11,21-22H,1-2,5,7H2,(H,17,20)/t11-/m0/s1 | PDB
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Mus musculus) | BDBM50316840
((R)-benzyl 2-((S)-2-formylpyrrolidine-1-carbonyl)i...)Show SMILES O=C[C@@H]1CCCN1C(=O)[C@H]1Cc2ccccc2N1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C22H22N2O4/c25-14-18-10-6-12-23(18)21(26)20-13-17-9-4-5-11-19(17)24(20)22(27)28-15-16-7-2-1-3-8-16/h1-5,7-9,11,14,18,20H,6,10,12-13,15H2/t18-,20+/m0/s1 | PDB
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| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of mouse brain POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Mus musculus) | BDBM50279826
((1S,2S)-2-((S)-2-Formyl-pyrrolidine-1-carbonyl)-cy...)Show SMILES O=C[C@@H]1CCCN1C(=O)[C@H]1CCCC[C@@H]1C(=O)OCc1ccccc1 Show InChI InChI=1S/C20H25NO4/c22-13-16-9-6-12-21(16)19(23)17-10-4-5-11-18(17)20(24)25-14-15-7-2-1-3-8-15/h1-3,7-8,13,16-18H,4-6,9-12,14H2/t16-,17-,18-/m0/s1 | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of mouse brain POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Bos taurus) | BDBM50316839
((S)-benzyl 2-((S)-2-formylpyrrolidine-1-carbonyl)-...)Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C18H20N2O5/c21-11-14-7-4-10-19(14)17(23)15-8-9-16(22)20(15)18(24)25-12-13-5-2-1-3-6-13/h1-3,5-6,11,14-15H,4,7-10,12H2/t14-,15-/m0/s1 | PDB
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| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Rattus norvegicus) | BDBM50316819
((S)-1-(4-(4-chlorobenzylamino)-4-oxobutanoyl)pyrro...)Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C16H19ClN2O4/c17-12-5-3-11(4-6-12)10-18-14(20)7-8-15(21)19-9-1-2-13(19)16(22)23/h3-6,13H,1-2,7-10H2,(H,18,20)(H,22,23)/t13-/m0/s1 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
inhibition of rat cortex POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM50200730
((R)-1-(2-acetamidoacetyl)pyrrolidin-2-ylboronic ac...)Show InChI InChI=1S/C8H15BN2O4/c1-6(12)10-5-8(13)11-4-2-3-7(11)9(14)15/h7,14-15H,2-5H2,1H3,(H,10,12)/t7-/m0/s1 | PDB
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant FAPalpha |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM50200729
((R)-1-(2-(2,5-dichlorobenzamido)acetyl)pyrrolidin-...)Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(Cl)ccc1Cl Show InChI InChI=1S/C13H15BCl2N2O4/c15-8-3-4-10(16)9(6-8)13(20)17-7-12(19)18-5-1-2-11(18)14(21)22/h3-4,6,11,21-22H,1-2,5,7H2,(H,17,20)/t11-/m0/s1 | PDB
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| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant FAPalpha |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Mus musculus) | BDBM50316836
((9H-fluoren-9-yl)methyl(S)-1-((S)-2-cyanopyrrolidi...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-[#6]-1-c2ccccc2-c2ccccc-12)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1C#N |r| Show InChI InChI=1S/C26H30N6O3/c27-15-17-7-6-14-32(17)24(33)23(12-5-13-30-25(28)29)31-26(34)35-16-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-4,8-11,17,22-23H,5-7,12-14,16H2,(H,31,34)(H4,28,29,30)/t17-,23-/m0/s1 | PDB
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| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of mouse brain POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Bos taurus) | BDBM50316835
((S)-benzyl 2-(thiazolidine-3-carbonyl)pyrrolidine-...)Show InChI InChI=1S/C16H20N2O3S/c19-15(17-9-10-22-12-17)14-7-4-8-18(14)16(20)21-11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2/t14-/m0/s1 | PDB
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| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Homo sapiens (Human)) | BDBM50200730
((R)-1-(2-acetamidoacetyl)pyrrolidin-2-ylboronic ac...)Show InChI InChI=1S/C8H15BN2O4/c1-6(12)10-5-8(13)11-4-2-3-7(11)9(14)15/h7,14-15H,2-5H2,1H3,(H,10,12)/t7-/m0/s1 | PDB
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| 211 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50200730
((R)-1-(2-acetamidoacetyl)pyrrolidin-2-ylboronic ac...)Show InChI InChI=1S/C8H15BN2O4/c1-6(12)10-5-8(13)11-4-2-3-7(11)9(14)15/h7,14-15H,2-5H2,1H3,(H,10,12)/t7-/m0/s1 | PDB
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| 377 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant DPP4 |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Bos taurus) | BDBM50316834
((S)-2-(1-Oxo-1lambda*4*-thiazolidine-3-carbonyl)-p...)Show SMILES O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCS(=O)C1 |r| Show InChI InChI=1S/C16H20N2O4S/c19-15(17-9-10-23(21)12-17)14-7-4-8-18(14)16(20)22-11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2/t14-,23?/m0/s1 | PDB
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| 1.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Bos taurus) | BDBM50316820
((S)-benzyl 2-(pyrrolidine-1-carbonyl)pyrrolidine-1...)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 | PDB
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PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Bos taurus) | BDBM50316833
((S)-benzyl 2-(oxazolidine-3-carbonyl)pyrrolidine-1...)Show InChI InChI=1S/C16H20N2O4/c19-15(17-9-10-21-12-17)14-7-4-8-18(14)16(20)22-11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2/t14-/m0/s1 | PDB
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| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Sus scrofa) | BDBM50316825
(2-(2,3-dihydro-1H-inden-2-yl)-1-((R)-4-((R)-4-(dim...)Show SMILES COC(OC)[C@@H]1CSCN1C(=O)[C@@H]1CSCN1C(=O)CC1Cc2ccccc2C1 |r| Show InChI InChI=1S/C21H28N2O4S2/c1-26-21(27-2)18-11-29-13-23(18)20(25)17-10-28-12-22(17)19(24)9-14-7-15-5-3-4-6-16(15)8-14/h3-6,14,17-18,21H,7-13H2,1-2H3/t17-,18-/m0/s1 | PDB
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| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of pig POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Homo sapiens (Human)) | BDBM50316828
((S)-tert-butyl 3-methyl-1-(thiazolidin-3-yl)-1-thi...)Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=S)N1CCSC1 |r| Show InChI InChI=1S/C13H24N2O2S2/c1-9(2)10(11(18)15-6-7-19-8-15)14-12(16)17-13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,16)/t10-/m0/s1 | PDB
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| Article
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| 5.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of human placenta POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50200729
((R)-1-(2-(2,5-dichlorobenzamido)acetyl)pyrrolidin-...)Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(Cl)ccc1Cl Show InChI InChI=1S/C13H15BCl2N2O4/c15-8-3-4-10(16)9(6-8)13(20)17-7-12(19)18-5-1-2-11(18)14(21)22/h3-4,6,11,21-22H,1-2,5,7H2,(H,17,20)/t11-/m0/s1 | PDB
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PubMed
| 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant DPP4 |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Bos taurus) | BDBM50316827
((S)-benzyl 2-(2-(2-chloroacetyl)pyrrolidin-1-yl)-2...)Show SMILES ClCC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C16H19ClN2O4/c17-9-14(20)13-7-4-8-19(13)15(21)10-18-16(22)23-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,18,22)/t13-/m0/s1 | PDB
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| 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Rattus norvegicus) | BDBM50051495
((S)-2-[(S)-2-(2-Hydroxy-acetyl)-pyrrolidine-1-carb...)Show SMILES OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)NCc1ccccc1 Show InChI InChI=1S/C19H25N3O4/c23-13-17(24)15-8-4-10-21(15)18(25)16-9-5-11-22(16)19(26)20-12-14-6-2-1-3-7-14/h1-3,6-7,15-16,23H,4-5,8-13H2,(H,20,26)/t15-,16-/m0/s1 | PDB
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| n/a | n/a | 0.830 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of POP in rat brain homogenate |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Sus scrofa) | BDBM50316822
(3-cyclohexyl-N-((S)-1-oxo-3-phenyl-1-((S)-2-(piper...)Show SMILES O=C(CCC1CCCCC1)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C28H41N3O3/c32-26(17-16-22-11-4-1-5-12-22)29-24(21-23-13-6-2-7-14-23)27(33)31-20-10-15-25(31)28(34)30-18-8-3-9-19-30/h2,6-7,13-14,22,24-25H,1,3-5,8-12,15-21H2,(H,29,32)/t24-,25-/m0/s1 | PDB
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| n/a | n/a | 1.05 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of pig brain POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Sus scrofa) | BDBM50316821
(CHEMBL1096175 | N-((S)-3-methyl-1-oxo-1-((S)-2-(pi...)Show SMILES CC(C)[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)N1CCC[C@H]1C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C28H35N3O4/c1-20(2)25(28(34)31-18-10-15-24(31)27(33)30-16-7-4-8-17-30)29-26(32)21-11-9-14-23(19-21)35-22-12-5-3-6-13-22/h3,5-6,9,11-14,19-20,24-25H,4,7-8,10,15-18H2,1-2H3,(H,29,32)/t24-,25-/m0/s1 | PDB
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| n/a | n/a | 1.05 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of pig brain POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Rattus norvegicus) | BDBM50316823
(((2S,3aS,7aS)-1-((1R,2R)-2-phenylcyclopropanecarbo...)Show SMILES O=C([C@@H]1C[C@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1 |r| Show InChI InChI=1S/C23H30N2O2/c26-22(19-15-18(19)16-8-2-1-3-9-16)25-20-11-5-4-10-17(20)14-21(25)23(27)24-12-6-7-13-24/h1-3,8-9,17-21H,4-7,10-15H2/t17-,18-,19+,20-,21-/m0/s1 | PDB
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| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
inhibition of rat cortex POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Sus scrofa) | BDBM50193665
(1-((2R,5S)-2-tert-butyl-5-(pyrrolidine-1-carbonyl)...)Show SMILES CC(C)(C)[C@H]1CC[C@H](N1C(=O)CCCc1ccccc1)C(=O)N1CCCC1 Show InChI InChI=1S/C23H34N2O2/c1-23(2,3)20-15-14-19(22(27)24-16-7-8-17-24)25(20)21(26)13-9-12-18-10-5-4-6-11-18/h4-6,10-11,19-20H,7-9,12-17H2,1-3H3/t19-,20+/m0/s1 | PDB
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| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of pig brain POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Sus scrofa) | BDBM50051539
((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 | PDB
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of pig brain POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Sus scrofa) | BDBM50316817
(4-phenyl-1-((S)-2-((S)-2-(5-phenylisoxazole-3-carb...)Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(on1)-c1ccccc1 |r| Show InChI InChI=1S/C29H31N3O4/c33-27(17-7-12-21-10-3-1-4-11-21)31-18-9-16-25(31)29(35)32-19-8-15-24(32)28(34)23-20-26(36-30-23)22-13-5-2-6-14-22/h1-6,10-11,13-14,20,24-25H,7-9,12,15-19H2/t24-,25-/m0/s1 | PDB
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| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of pig POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Rattus norvegicus) | BDBM50316829
(CHEMBL1087103 | isoxazolidin-2-yl((2S,3aS,7aS)-1-(...)Show SMILES O=C([C@@H]1C[C@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCO1 |r| Show InChI InChI=1S/C22H28N2O3/c25-21(18-14-17(18)15-7-2-1-3-8-15)24-19-10-5-4-9-16(19)13-20(24)22(26)23-11-6-12-27-23/h1-3,7-8,16-20H,4-6,9-14H2/t16-,17-,18+,19-,20-/m0/s1 | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
inhibition of rat cortex POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Sus scrofa) | BDBM50051539
((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 | PDB
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| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of pig brain POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Rattus norvegicus) | BDBM50316830
(((2S,3aS,7aS)-2-(1H-pyrrole-1-carbonyl)octahydro-1...)Show SMILES O=C([C@@H]1C[C@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)n1cccc1 |r| Show InChI InChI=1S/C23H26N2O2/c26-22(19-15-18(19)16-8-2-1-3-9-16)25-20-11-5-4-10-17(20)14-21(25)23(27)24-12-6-7-13-24/h1-3,6-9,12-13,17-21H,4-5,10-11,14-15H2/t17-,18-,19+,20-,21-/m0/s1 | PDB
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| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
inhibition of rat cortex POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Rattus norvegicus) | BDBM50316831
((2,5-dihydro-1H-pyrrol-1-yl)((2S,3aS,7aS)-1-((1R,2...)Show SMILES O=C([C@@H]1C[C@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CC=CC1 |r,c:28| Show InChI InChI=1S/C23H28N2O2/c26-22(19-15-18(19)16-8-2-1-3-9-16)25-20-11-5-4-10-17(20)14-21(25)23(27)24-12-6-7-13-24/h1-3,6-9,17-21H,4-5,10-15H2/t17-,18-,19+,20-,21-/m0/s1 | PDB
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| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
inhibition of rat cortex POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Rattus norvegicus) | BDBM50316832
((2,3-dihydro-1H-pyrrol-1-yl)((2S,3aS,7aS)-1-((1R,2...)Show SMILES O=C([C@@H]1C[C@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCC=C1 |r,c:29| Show InChI InChI=1S/C23H28N2O2/c26-22(19-15-18(19)16-8-2-1-3-9-16)25-20-11-5-4-10-17(20)14-21(25)23(27)24-12-6-7-13-24/h1-3,6,8-9,12,17-21H,4-5,7,10-11,13-15H2/t17-,18-,19+,20-,21-/m0/s1 | PDB
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| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
inhibition of rat cortex POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Bos taurus) | BDBM50316842
((S)-1-((S)-3-methyl-2-(4-phenylbutanamido)butanoyl...)Show SMILES CC(C)[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C20H28N2O4/c1-14(2)18(19(24)22-13-7-11-16(22)20(25)26)21-17(23)12-6-10-15-8-4-3-5-9-15/h3-5,8-9,14,16,18H,6-7,10-13H2,1-2H3,(H,21,23)(H,25,26)/t16-,18-/m0/s1 | PDB
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| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Mus musculus) | BDBM50051539
((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 | PDB
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| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of mouse brain POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Sus scrofa) | BDBM50284127
(4-Phenyl-1-{(S)-2-[(S)-2-(thiazole-2-carbonyl)-pyr...)Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1nccs1 Show InChI InChI=1S/C23H27N3O3S/c27-20(12-4-9-17-7-2-1-3-8-17)25-14-6-11-19(25)23(29)26-15-5-10-18(26)21(28)22-24-13-16-30-22/h1-3,7-8,13,16,18-19H,4-6,9-12,14-15H2/t18-,19-/m0/s1 | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of pig kidney POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Rattus norvegicus) | BDBM50316841
(((S)-2-((1R,2R)-2-phenylcyclopropanecarbonyl)-2-az...)Show SMILES O=C([C@@H]1C[C@H]1c1ccccc1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |r,wU:2.1,18.22,wD:4.5,(-3.55,-32.74,;-4.32,-31.4,;-5.86,-31.4,;-7.2,-30.64,;-7.19,-32.18,;-7.95,-33.52,;-9.5,-33.52,;-10.26,-34.86,;-9.49,-36.19,;-7.94,-36.18,;-7.18,-34.84,;-3.7,-29.99,;-4.46,-28.67,;-3.68,-27.34,;-2.14,-27.35,;-1.39,-28.69,;-2.73,-29.37,;-3.13,-27.89,;-2.16,-30,;-1.4,-31.34,;-2.18,-32.67,;.14,-31.36,;1.04,-32.6,;2.51,-32.13,;2.52,-30.59,;1.05,-30.1,)| Show InChI InChI=1S/C22H28N2O2/c25-21(19-14-18(19)15-6-2-1-3-7-15)24-17-10-8-16(9-11-17)20(24)22(26)23-12-4-5-13-23/h1-3,6-7,16-20H,4-5,8-14H2/t16?,17?,18-,19+,20-/m0/s1 | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
inhibition of rat cortex POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Rattus norvegicus) | BDBM50051539
((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 | PDB
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| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of rat brain POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Sus scrofa) | BDBM50284126
((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...)Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1 Show InChI InChI=1S/C20H26N2O3/c23-15-17-10-5-13-21(17)20(25)18-11-6-14-22(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,15,17-18H,4-6,9-14H2/t17-,18-/m0/s1 | PDB
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| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of pig kidney POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Rattus norvegicus) | BDBM50240498
((S)-1-(2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl)o...)Show InChI InChI=1S/C17H30N2O2/c1-2-3-4-5-6-11-16(20)19-14-9-10-15(19)17(21)18-12-7-8-13-18/h15H,2-14H2,1H3/t15-/m0/s1 | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of POP in rat brain homogenate |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Sus scrofa) | BDBM50051547
((S)-2-(Pyrrolidine-1-carbonyl)-pyrrolidine-1-carbo...)Show InChI InChI=1S/C14H24N2O3/c1-14(2,3)19-13(18)16-10-6-7-11(16)12(17)15-8-4-5-9-15/h11H,4-10H2,1-3H3/t11-/m0/s1 | PDB
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of pig brain POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Sus scrofa) | BDBM50316837
(4-phenyl-1-(2-(pyrrolidine-1-carbonyl)cyclopent-1-...)Show SMILES O=C(CCCc1ccccc1)C1=C(CCC1)C(=O)N1CCCC1 |t:12| Show InChI InChI=1S/C20H25NO2/c22-19(13-6-10-16-8-2-1-3-9-16)17-11-7-12-18(17)20(23)21-14-4-5-15-21/h1-3,8-9H,4-7,10-15H2 | PDB
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| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of pig brain POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Homo sapiens (Human)) | BDBM50075135
((S)-4-phenyl-1-(3-(pyrrolidine-1-carbonyl)-3,4-dih...)Show SMILES O=C(CCCc1ccccc1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 Show InChI InChI=1S/C24H28N2O2/c27-23(14-8-11-19-9-2-1-3-10-19)26-18-21-13-5-4-12-20(21)17-22(26)24(28)25-15-6-7-16-25/h1-5,9-10,12-13,22H,6-8,11,14-18H2/t22-/m0/s1 | PDB
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| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of human platelet POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Bos taurus) | BDBM50051539
((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 | PDB
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| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Homo sapiens (Human)) | BDBM50242173
((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)Show SMILES O[C@H]1[C@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccccc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r| Show InChI InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1 | PDB
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| n/a | n/a | 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Homo sapiens (Human)) | BDBM50316826
((S)-benzyl 2-((S)-2-(hydroxymethyl)pyrrolidine-1-c...)Show SMILES OC[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C18H24N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,15-16,21H,4-5,8-13H2/t15-,16-/m0/s1 | PDB
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| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of POP in human PBMC |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Bos taurus) | BDBM50316826
((S)-benzyl 2-((S)-2-(hydroxymethyl)pyrrolidine-1-c...)Show SMILES OC[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C18H24N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,15-16,21H,4-5,8-13H2/t15-,16-/m0/s1 | PDB
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| n/a | n/a | 4.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Homo sapiens (Human)) | BDBM50316824
(4-(4-chlorophenyl)-8-(ethoxycarbonyl)-5-methyl-2,3...)Show SMILES CCOC(=O)c1ccc2[n+](C)c(c3CCOc3c2c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H19ClNO3/c1-3-25-21(24)14-6-9-18-17(12-14)20-16(10-11-26-20)19(23(18)2)13-4-7-15(22)8-5-13/h4-9,12H,3,10-11H2,1-2H3/q+1 | PDB
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| n/a | n/a | 6.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50051495
((S)-2-[(S)-2-(2-Hydroxy-acetyl)-pyrrolidine-1-carb...)Show SMILES OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)NCc1ccccc1 Show InChI InChI=1S/C19H25N3O4/c23-13-17(24)15-8-4-10-21(15)18(25)16-9-5-11-22(16)19(26)20-12-14-6-2-1-3-7-14/h1-3,6-7,15-16,23H,4-5,8-13H2,(H,20,26)/t15-,16-/m0/s1 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of DPP4 |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Xaa-Pro dipeptidase
(Homo sapiens (Human)) | BDBM50051495
((S)-2-[(S)-2-(2-Hydroxy-acetyl)-pyrrolidine-1-carb...)Show SMILES OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)NCc1ccccc1 Show InChI InChI=1S/C19H25N3O4/c23-13-17(24)15-8-4-10-21(15)18(25)16-9-5-11-22(16)19(26)20-12-14-6-2-1-3-7-14/h1-3,6-7,15-16,23H,4-5,8-13H2,(H,20,26)/t15-,16-/m0/s1 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of prolidase |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Lysosomal Pro-X carboxypeptidase
(Homo sapiens (Human)) | BDBM50051495
((S)-2-[(S)-2-(2-Hydroxy-acetyl)-pyrrolidine-1-carb...)Show SMILES OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)NCc1ccccc1 Show InChI InChI=1S/C19H25N3O4/c23-13-17(24)15-8-4-10-21(15)18(25)16-9-5-11-22(16)19(26)20-12-14-6-2-1-3-7-14/h1-3,6-7,15-16,23H,4-5,8-13H2,(H,20,26)/t15-,16-/m0/s1 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of caboxypeptidase P |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Cytosol aminopeptidase
(Homo sapiens (Human)) | BDBM50051495
((S)-2-[(S)-2-(2-Hydroxy-acetyl)-pyrrolidine-1-carb...)Show SMILES OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)NCc1ccccc1 Show InChI InChI=1S/C19H25N3O4/c23-13-17(24)15-8-4-10-21(15)18(25)16-9-5-11-22(16)19(26)20-12-14-6-2-1-3-7-14/h1-3,6-7,15-16,23H,4-5,8-13H2,(H,20,26)/t15-,16-/m0/s1 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of proline iminopeptidase) |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Homo sapiens (Human)) | BDBM50203126
(3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrid...)Show InChI InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1 | PDB
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| n/a | n/a | 1.45E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Bos taurus) | BDBM50316838
((S)-4-phenyl-1-(2-(pyrrolidin-1-ylmethyl)pyrrolidi...)Show InChI InChI=1S/C19H28N2O/c22-19(12-6-10-17-8-2-1-3-9-17)21-15-7-11-18(21)16-20-13-4-5-14-20/h1-3,8-9,18H,4-7,10-16H2/t18-/m0/s1 | PDB
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UniProtKB/SwissProt
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description
Inhibition of bovine brain POP |
J Med Chem 53: 3423-38 (2010)
Article DOI: 10.1021/jm901104g
BindingDB Entry DOI: 10.7270/Q261119N |
More data for this
Ligand-Target Pair | |
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