Found 14 hits of affinity data for UniProtKB/TrEMBL: Q9XTA2 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
(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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MCE
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PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 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
(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
MMDB
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UniProtKB/SwissProt
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CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 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 POP in bovine serum using Z-Gly-Pro-NH-Mec fluorimetric substrate |
J Med Chem 59: 4221-34 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01296
BindingDB Entry DOI: 10.7270/Q2Z89FBB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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
(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
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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
(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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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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PC sid
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| Article
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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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
(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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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 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
(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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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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
(Bos taurus) | BDBM50051480
(4-Phenyl-1-[(R)-4-(pyrrolidine-1-carbonyl)-thiazol...)Show InChI InChI=1S/C18H24N2O2S/c21-17(10-6-9-15-7-2-1-3-8-15)20-14-23-13-16(20)18(22)19-11-4-5-12-19/h1-3,7-8,16H,4-6,9-14H2/t16-/m0/s1 | PDB
MMDB
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UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherche Servier
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound was evaluated against Post-proline cleaving enzyme from bovine brain |
J Med Chem 39: 2379-91 (1996)
Article DOI: 10.1021/jm950858c
BindingDB Entry DOI: 10.7270/Q2RF5T4J |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase
(Bos taurus) | BDBM50051480
(4-Phenyl-1-[(R)-4-(pyrrolidine-1-carbonyl)-thiazol...)Show InChI InChI=1S/C18H24N2O2S/c21-17(10-6-9-15-7-2-1-3-8-15)20-14-23-13-16(20)18(22)19-11-4-5-12-19/h1-3,7-8,16H,4-6,9-14H2/t16-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Recherche Servier
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound was evaluated against Post-proline cleaving enzyme from bovine brain |
J Med Chem 39: 2379-91 (1996)
Article DOI: 10.1021/jm950858c
BindingDB Entry DOI: 10.7270/Q2RF5T4J |
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
MMDB
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CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 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
(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
MMDB
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| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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
(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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PC cid
PC sid
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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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