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Compile Data Set for Download or QSAR

Found 88 hits with Last Name = 'rémond' and Initial = 'g'   
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


(Rattus norvegicus)
BDBM50051495
PNG
((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
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n/an/a 0.100n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against Post-proline cleaving enzyme from rat 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


(Rattus norvegicus)
BDBM50051520
PNG
(CHEMBL305681 | [(2S,3aS,7aS)-2-(Pyrrolidine-1-carb...)
Show SMILES FC(F)(F)c1cccc(c1)[C@H]1C[C@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C24H29F3N2O2/c25-24(26,27)17-8-5-7-15(12-17)18-14-19(18)22(30)29-20-9-2-1-6-16(20)13-21(29)23(31)28-10-3-4-11-28/h5,7-8,12,16,18-21H,1-4,6,9-11,13-14H2/t16-,18+,19+,20-,21-/m0/s1
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Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against Post-proline cleaving enzyme from rat cortex


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


(Rattus norvegicus)
BDBM50051511
PNG
(CHEMBL80684 | [(1R,2S)-2-(4-Fluoro-phenyl)-cyclopr...)
Show SMILES Fc1ccc(cc1)[C@H]1C[C@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C23H29FN2O2/c24-17-9-7-15(8-10-17)18-14-19(18)22(27)26-20-6-2-1-5-16(20)13-21(26)23(28)25-11-3-4-12-25/h7-10,16,18-21H,1-6,11-14H2/t16-,18+,19+,20-,21-/m0/s1
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Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against Post-proline cleaving enzyme from rat cortex


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
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
In vitro activity against angiotensin I converting enzyme especially against Hip-His-Leu residues


J Med Chem 34: 663-9 (1991)


BindingDB Entry DOI: 10.7270/Q21V5FKF
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Rattus norvegicus)
BDBM50051523
PNG
(((1R,2S)-2-Phenyl-cyclopropyl)-[(2S,3aS,7aS)-2-(py...)
Show SMILES O=C([C@@H]1C[C@@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1
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
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Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against Post-proline cleaving enzyme from rat cortex


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


(Rattus norvegicus)
BDBM50051504
PNG
(((1R,2S)-2-Phenyl-cyclopropyl)-[(2S,3aS,7aS)-2-(th...)
Show SMILES O=C([C@@H]1C[C@@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCSC1
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
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Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against Post-proline cleaving enzyme from rat cortex


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


(Rattus norvegicus)
BDBM50051515
PNG
(CHEMBL80698 | [(2S,3aS,7aS)-2-(Pyrrolidine-1-carbo...)
Show SMILES O=C([C@@H]1C[C@@H]1c1cccs1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C21H28N2O2S/c24-20(16-13-15(16)19-8-5-11-26-19)23-17-7-2-1-6-14(17)12-18(23)21(25)22-9-3-4-10-22/h5,8,11,14-18H,1-4,6-7,9-10,12-13H2/t14-,15-,16+,17-,18-/m0/s1
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Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against Post-proline cleaving enzyme from rat cortex


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


(Rattus norvegicus)
BDBM50051506
PNG
(((1R,2S)-2-Phenyl-cyclopropyl)-[(S)-3-(pyrrolidine...)
Show SMILES O=C([C@@H]1C[C@@H]1c1ccccc1)N1C2CCC(C2)[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C21H26N2O2/c24-20(18-13-17(18)14-6-2-1-3-7-14)23-16-9-8-15(12-16)19(23)21(25)22-10-4-5-11-22/h1-3,6-7,15-19H,4-5,8-13H2/t15?,16?,17-,18-,19+/m1/s1
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Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against Post-proline cleaving enzyme from rat cortex


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


(Rattus norvegicus)
BDBM50051516
PNG
(CHEMBL79213 | [(2S,3aS,7aS)-2-(Pyrrolidine-1-carbo...)
Show SMILES Cc1ccc(cc1)[C@H]1C[C@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C24H32N2O2/c1-16-8-10-17(11-9-16)19-15-20(19)23(27)26-21-7-3-2-6-18(21)14-22(26)24(28)25-12-4-5-13-25/h8-11,18-22H,2-7,12-15H2,1H3/t18-,19+,20+,21-,22-/m0/s1
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Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against Post-proline cleaving enzyme from rat cortex


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
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50011365
PNG
(1-[2-(1-Carboxy-butylamino)-propionyl]-octahydro-i...)
Show SMILES CCCC(N[C@@H](C)C(=O)N1C2CCCCC2CC1C(O)=O)C(O)=O
Show InChI InChI=1S/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11?,12?,13?,14?/m0/s1
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Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
In vitro activity against angiotensin I converting enzyme especially against Hip-His-Leu residues


J Med Chem 34: 663-9 (1991)


BindingDB Entry DOI: 10.7270/Q21V5FKF
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50011362
PNG
(1-(3-Mercapto-2-methyl-propionyl)-pyrrolidine-2-ca...)
Show SMILES C[C@@H](CS)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7?/m0/s1
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Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
In vitro activity against angiotensin I converting enzyme especially against Hip-His-Leu residues


J Med Chem 34: 663-9 (1991)


BindingDB Entry DOI: 10.7270/Q21V5FKF
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50011361
PNG
(1-[2-(1-Carboxy-butylamino)-acetyl]-octahydro-indo...)
Show SMILES CCC[C@H](NCC(=O)N1C2CCCCC2C[C@H]1C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C16H26N2O5/c1-2-5-11(15(20)21)17-9-14(19)18-12-7-4-3-6-10(12)8-13(18)16(22)23/h10-13,17H,2-9H2,1H3,(H,20,21)(H,22,23)/t10?,11-,12?,13-/m0/s1
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Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
In vitro activity against angiotensin I converting enzyme especially against Hip-His-Leu residues


J Med Chem 34: 663-9 (1991)


BindingDB Entry DOI: 10.7270/Q21V5FKF
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Rattus norvegicus)
BDBM50051508
PNG
(CHEMBL75968 | [(2S,3aS,7aS)-2-(Isoxazolidine-2-car...)
Show SMILES O=C([C@@H]1C[C@@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCO1
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
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Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against Post-proline cleaving enzyme from rat cortex


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


(Rattus norvegicus)
BDBM50051489
PNG
(((1R,2S)-2-Phenyl-cyclopropyl)-[(2S,3aS,7aS)-2-(py...)
Show SMILES O=C([C@@H]1C[C@@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)n1cccc1
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
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Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against Post-proline cleaving enzyme from rat cortex


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


(Rattus norvegicus)
BDBM50051483
PNG
(CHEMBL80865 | [(2S,3aS,7aS)-2-(2,5-Dihydro-pyrrole...)
Show SMILES O=C([C@@H]1C[C@@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CC=CC1 |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
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Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against Post-proline cleaving enzyme from rat cortex


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


(Rattus norvegicus)
BDBM50051544
PNG
(CHEMBL311848 | [(2S,3aS,7aS)-2-(2,3-Dihydro-pyrrol...)
Show SMILES O=C([C@@H]1C[C@@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCC=C1 |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
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Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against Post-proline cleaving enzyme from rat cortex


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


(Rattus norvegicus)
BDBM50051513
PNG
(((1R,2S)-2-Phenyl-cyclopropyl)-[(S)-3-(thiazolidin...)
Show SMILES O=C([C@@H]1C2CCC(CC2)N1C(=O)[C@@H]1C[C@@H]1c1ccccc1)N1CCSC1 |wU:12.13,2.1,14.17,(12.4,-6.2,;11.07,-5.43,;9.73,-6.18,;8.4,-5.41,;7.07,-6.18,;7.07,-7.72,;8.4,-8.5,;9.1,-6.34,;7.62,-6.74,;9.73,-7.72,;11.07,-8.52,;12.4,-7.75,;11.07,-10.06,;10.3,-11.39,;11.84,-11.39,;13.17,-12.17,;13.17,-13.71,;14.5,-14.46,;15.84,-13.69,;15.84,-12.14,;14.5,-11.37,;11.08,-3.89,;12.31,-2.98,;11.84,-1.5,;10.3,-1.48,;9.8,-2.95,)|
Show InChI InChI=1S/C21H26N2O2S/c24-20(18-12-17(18)14-4-2-1-3-5-14)23-16-8-6-15(7-9-16)19(23)21(25)22-10-11-26-13-22/h1-5,15-19H,6-13H2/t15?,16?,17-,18-,19+/m1/s1
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Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against Post-proline cleaving enzyme from rat cortex


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


(Rattus norvegicus)
BDBM50051496
PNG
(CHEMBL310228 | [(S)-3-(Pyrrolidine-1-carbonyl)-2-a...)
Show SMILES FC(F)(F)c1cccc(c1)[C@H]1C[C@H]1C(=O)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:12.14,22.26,10.10,(17.13,-12.07,;15.8,-11.32,;15.78,-9.78,;16.2,-12.79,;14.47,-12.09,;14.47,-13.63,;13.14,-14.4,;11.81,-13.65,;11.81,-12.11,;13.14,-11.32,;10.48,-11.34,;8.94,-11.35,;9.71,-10.01,;9.71,-8.47,;11.04,-7.7,;8.38,-7.7,;7.05,-8.45,;5.72,-7.7,;5.72,-6.16,;7.05,-5.37,;6.26,-6.7,;7.75,-6.31,;8.38,-6.16,;9.71,-5.39,;11.04,-6.17,;9.71,-3.85,;10.97,-2.95,;10.48,-1.45,;8.97,-1.48,;8.48,-2.94,)|
Show InChI InChI=1S/C23H27F3N2O2/c24-23(25,26)16-5-3-4-15(12-16)18-13-19(18)21(29)28-17-8-6-14(7-9-17)20(28)22(30)27-10-1-2-11-27/h3-5,12,14,17-20H,1-2,6-11,13H2/t14?,17?,18-,19-,20+/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against Post-proline cleaving enzyme from rat cortex


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


(Rattus norvegicus)
BDBM50051537
PNG
(CHEMBL80136 | [(1R,2S)-2-(4-Fluoro-phenyl)-cyclopr...)
Show SMILES Fc1ccc(cc1)[C@H]1C[C@H]1C(=O)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:9.11,19.23,7.7,(16.51,-14.29,;15.16,-13.54,;15.16,-11.98,;13.83,-11.22,;12.49,-11.99,;12.49,-13.54,;13.83,-14.31,;11.16,-11.22,;9.62,-11.23,;10.39,-9.89,;10.39,-8.35,;11.72,-7.58,;9.06,-7.58,;7.72,-8.35,;6.39,-7.58,;6.39,-6.03,;7.72,-5.26,;6.94,-6.59,;8.43,-6.18,;9.06,-6.03,;10.39,-5.26,;11.72,-6.04,;10.4,-3.72,;9.17,-2.81,;9.64,-1.34,;11.16,-1.33,;11.65,-2.81,)|
Show InChI InChI=1S/C22H27FN2O2/c23-16-7-3-14(4-8-16)18-13-19(18)21(26)25-17-9-5-15(6-10-17)20(25)22(27)24-11-1-2-12-24/h3-4,7-8,15,17-20H,1-2,5-6,9-13H2/t15?,17?,18-,19-,20+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against Post-proline cleaving enzyme from rat cortex


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


(Rattus norvegicus)
BDBM50051543
PNG
((2-Benzyl-cyclopropyl)-[(S)-3-(pyrrolidine-1-carbo...)
Show SMILES O=C([C@@H]1C2CCC(CC2)N1C(=O)C1CC1Cc1ccccc1)N1CCCC1 |wU:2.1,(13.05,-9.15,;11.72,-8.36,;10.39,-9.13,;9.06,-8.35,;7.73,-9.13,;7.73,-10.67,;9.06,-11.43,;9.76,-9.27,;8.28,-9.68,;10.39,-10.67,;11.72,-11.44,;13.05,-10.67,;11.72,-12.98,;10.95,-14.33,;12.49,-14.31,;13.82,-15.08,;13.81,-16.62,;15.13,-17.39,;15.12,-18.93,;13.77,-19.7,;12.44,-18.91,;12.47,-17.37,;11.74,-6.82,;12.98,-5.93,;12.49,-4.44,;10.97,-4.46,;10.5,-5.91,)|
Show InChI InChI=1S/C23H30N2O2/c26-22(20-15-18(20)14-16-6-2-1-3-7-16)25-19-10-8-17(9-11-19)21(25)23(27)24-12-4-5-13-24/h1-3,6-7,17-21H,4-5,8-15H2/t17?,18?,19?,20?,21-/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against Post-proline cleaving enzyme from rat cortex


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


(Homo sapiens (Human))
BDBM50051484
PNG
(CHEMBL307938 | [(S)-3-(Pyrrolidine-1-carbonyl)-2-a...)
Show SMILES O=C([C@@H]1C2CCC(CC2)N1C(=O)[C@@H]1C[C@@H]1c1cccs1)N1CCCC1 |wU:12.13,2.1,14.17,(12.52,-6.41,;11.18,-5.63,;9.85,-6.41,;8.52,-5.62,;7.19,-6.41,;7.19,-7.95,;8.52,-8.71,;9.22,-6.55,;7.75,-6.95,;9.85,-7.95,;11.18,-8.72,;12.52,-7.95,;11.18,-10.26,;10.41,-11.6,;11.96,-11.6,;13.29,-12.37,;13.45,-13.91,;14.95,-14.22,;15.72,-12.88,;14.69,-11.74,;11.21,-4.09,;9.97,-3.18,;10.44,-1.71,;11.96,-1.68,;12.45,-3.18,)|
Show InChI InChI=1S/C20H26N2O2S/c23-19(16-12-15(16)17-4-3-11-25-17)22-14-7-5-13(6-8-14)18(22)20(24)21-9-1-2-10-21/h3-4,11,13-16,18H,1-2,5-10,12H2/t13?,14?,15-,16+,18-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against Post-proline cleaving enzyme from Flavobacterium meningosepticam


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


(Rattus norvegicus)
BDBM50051484
PNG
(CHEMBL307938 | [(S)-3-(Pyrrolidine-1-carbonyl)-2-a...)
Show SMILES O=C([C@@H]1C2CCC(CC2)N1C(=O)[C@@H]1C[C@@H]1c1cccs1)N1CCCC1 |wU:12.13,2.1,14.17,(12.52,-6.41,;11.18,-5.63,;9.85,-6.41,;8.52,-5.62,;7.19,-6.41,;7.19,-7.95,;8.52,-8.71,;9.22,-6.55,;7.75,-6.95,;9.85,-7.95,;11.18,-8.72,;12.52,-7.95,;11.18,-10.26,;10.41,-11.6,;11.96,-11.6,;13.29,-12.37,;13.45,-13.91,;14.95,-14.22,;15.72,-12.88,;14.69,-11.74,;11.21,-4.09,;9.97,-3.18,;10.44,-1.71,;11.96,-1.68,;12.45,-3.18,)|
Show InChI InChI=1S/C20H26N2O2S/c23-19(16-12-15(16)17-4-3-11-25-17)22-14-7-5-13(6-8-14)18(22)20(24)21-9-1-2-10-21/h3-4,11,13-16,18H,1-2,5-10,12H2/t13?,14?,15-,16+,18-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against Post-proline cleaving enzyme from rat cortex


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


(Homo sapiens (Human))
BDBM50051518
PNG
(6,6,6-Trifluoro-5-phenyl-1-[(2S,3aS,7aS)-2-(pyrrol...)
Show SMILES FC(F)(F)C(CCCC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1)c1ccccc1
Show InChI InChI=1S/C25H33F3N2O2/c26-25(27,28)20(18-9-2-1-3-10-18)12-8-14-23(31)30-21-13-5-4-11-19(21)17-22(30)24(32)29-15-6-7-16-29/h1-3,9-10,19-22H,4-8,11-17H2/t19-,20?,21-,22-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against Post-proline cleaving enzyme from Flavobacterium meningosepticum


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


(Rattus norvegicus)
BDBM50051486
PNG
(((1R,2S)-2-Naphthalen-2-yl-cyclopropyl)-[(S)-3-(py...)
Show SMILES O=C([C@@H]1C[C@@H]1c1ccc2ccccc2c1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:2.1,22.27,4.5,(11.04,-7.7,;9.71,-8.47,;9.71,-10.01,;8.94,-11.35,;10.48,-11.34,;11.81,-12.11,;11.81,-13.65,;13.14,-14.4,;14.47,-13.63,;15.8,-14.4,;17.13,-13.61,;17.13,-12.07,;15.78,-11.32,;14.47,-12.09,;13.14,-11.32,;8.38,-7.7,;7.05,-8.45,;7.75,-6.3,;6.26,-6.7,;7.05,-5.37,;5.72,-6.16,;5.72,-7.7,;8.38,-6.16,;9.71,-5.39,;11.04,-6.17,;9.71,-3.85,;10.97,-2.95,;10.48,-1.45,;8.97,-1.48,;8.48,-2.94,)|
Show InChI InChI=1S/C26H30N2O2/c29-25(23-16-22(23)20-8-7-17-5-1-2-6-19(17)15-20)28-21-11-9-18(10-12-21)24(28)26(30)27-13-3-4-14-27/h1-2,5-8,15,18,21-24H,3-4,9-14,16H2/t18?,21?,22-,23-,24+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against Post-proline cleaving enzyme from rat cortex


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


(Rattus norvegicus)
BDBM50051488
PNG
(((1R,2S)-2-Phenyl-cyclopropyl)-[(S)-3-(pyrrolidine...)
Show SMILES O=C([C@@H]1C[C@@H]1c1ccccc1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:2.1,18.22,4.5,(12.37,-7.7,;11.04,-8.47,;11.04,-9.99,;10.27,-11.35,;11.81,-11.34,;13.14,-12.11,;13.14,-13.65,;14.47,-14.4,;15.8,-13.63,;15.8,-12.09,;14.47,-11.32,;9.71,-7.7,;8.38,-8.45,;7.05,-7.7,;7.05,-6.16,;8.38,-5.37,;7.61,-6.7,;9.08,-6.3,;9.71,-6.16,;11.04,-5.39,;12.37,-6.17,;11.06,-3.85,;9.82,-2.94,;10.3,-1.48,;11.81,-1.45,;12.3,-2.95,)|
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+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against Post-proline cleaving enzyme from rat cortex


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


(Homo sapiens (Human))
BDBM50454200
PNG
(CHEMBL2369824)
Show SMILES [#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-c1cccs1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@@H]-1-[#6](=O)-[#7]-1-[#6@@H](-[#6]-c2ccccc-12)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C59H83N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-4,9-13,17,23,35,37-41,43-46,79-80H,5-8,14-16,18-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t35-,37-,38+,39+,40?,41+,43+,44+,45+,46-/m1/s1
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n/an/a 5.5n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against Post-proline cleaving enzyme from Flavobacterium meningosepticum


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


(Homo sapiens (Human))
BDBM50051540
PNG
((R)-3-(Pyrrolidine-1-carbonyl)-2-aza-bicyclo[2.2.1...)
Show SMILES CC(C)(C)OC(=O)N1C2CCC(C2)[C@@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C16H26N2O3/c1-16(2,3)21-15(20)18-12-7-6-11(10-12)13(18)14(19)17-8-4-5-9-17/h11-13H,4-10H2,1-3H3/t11?,12?,13-/m1/s1
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n/an/a 5.5n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against Post-proline cleaving enzyme from Flavobacterium meningosepticum


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


(Homo sapiens (Human))
BDBM50051487
PNG
(5,5-Dicyclopropyl-1-[(S)-3-(pyrrolidine-1-carbonyl...)
Show SMILES O=C(CCCC(C1CC1)C1CC1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:19.23,(4.28,.47,;2.94,-.29,;2.93,-1.85,;1.6,-2.62,;1.59,-4.16,;.26,-4.93,;-1.08,-5.7,;-1.84,-7.04,;-2.61,-5.69,;1.59,-5.7,;2.36,-7.04,;3.13,-5.69,;1.6,.47,;.27,-.29,;-1.05,.47,;-1.05,2.01,;.27,2.78,;-.51,1.45,;.98,1.86,;1.6,2.01,;2.94,2.78,;4.28,2,;2.94,4.32,;1.71,5.24,;2.18,6.7,;3.72,6.71,;4.19,5.23,)|
Show InChI InChI=1S/C23H36N2O2/c26-21(5-3-4-20(16-6-7-16)17-8-9-17)25-19-12-10-18(11-13-19)22(25)23(27)24-14-1-2-15-24/h16-20,22H,1-15H2/t18?,19?,22-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against Post-proline cleaving enzyme from Flavobacterium meningosepticum


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


(Rattus norvegicus)
BDBM50051491
PNG
(CHEMBL77149 | [(2S,3aS,7aS)-2-(3-Hydroxy-pyrrolidi...)
Show SMILES OC1CCN(C1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C23H30N2O3/c26-17-10-11-24(14-17)23(28)21-12-16-8-4-5-9-20(16)25(21)22(27)19-13-18(19)15-6-2-1-3-7-15/h1-3,6-7,16-21,26H,4-5,8-14H2/t16-,17?,18+,19+,20-,21-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against Post-proline cleaving enzyme from rat cortex


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


(Homo sapiens (Human))
BDBM50051506
PNG
(((1R,2S)-2-Phenyl-cyclopropyl)-[(S)-3-(pyrrolidine...)
Show SMILES O=C([C@@H]1C[C@@H]1c1ccccc1)N1C2CCC(C2)[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C21H26N2O2/c24-20(18-13-17(18)14-6-2-1-3-7-14)23-16-9-8-15(12-16)19(23)21(25)22-10-4-5-11-22/h1-3,6-7,15-19H,4-5,8-13H2/t15?,16?,17-,18-,19+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against Post-proline cleaving enzyme from Flavobacterium meningosepticum


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


(Rattus norvegicus)
BDBM50051481
PNG
(CHEMBL306957 | [(1R,2S)-2-(4-Methoxy-phenyl)-cyclo...)
Show SMILES COc1ccc(cc1)[C@H]1C[C@H]1C(=O)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:10.12,20.24,8.8,(16.46,-15.17,;16.45,-13.63,;15.1,-12.86,;15.1,-11.32,;13.77,-10.55,;12.44,-11.35,;12.44,-12.89,;13.77,-13.63,;11.11,-10.58,;9.57,-10.58,;10.34,-9.25,;10.34,-7.71,;11.67,-6.94,;9.01,-6.94,;7.68,-7.68,;6.35,-6.94,;6.35,-5.4,;7.68,-4.6,;6.91,-5.93,;8.38,-5.54,;9.01,-5.4,;10.34,-4.63,;11.67,-5.4,;10.36,-3.09,;11.6,-2.18,;11.11,-.68,;9.6,-.71,;9.12,-2.18,)|
Show InChI InChI=1S/C23H30N2O3/c1-28-18-10-6-15(7-11-18)19-14-20(19)22(26)25-17-8-4-16(5-9-17)21(25)23(27)24-12-2-3-13-24/h6-7,10-11,16-17,19-21H,2-5,8-9,12-14H2,1H3/t16?,17?,19-,20-,21+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against Post-proline cleaving enzyme from rat cortex


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


(Homo sapiens (Human))
BDBM50051542
PNG
(5,5-Dicyclopropyl-1-[(2S,3aS,7aS)-2-(pyrrolidine-1...)
Show SMILES O=C(CCCC(C1CC1)C1CC1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C24H38N2O2/c27-23(9-5-7-20(17-10-11-17)18-12-13-18)26-21-8-2-1-6-19(21)16-22(26)24(28)25-14-3-4-15-25/h17-22H,1-16H2/t19-,21-,22-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against Post-proline cleaving enzyme from Flavobacterium meningosepticum


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


(Homo sapiens (Human))
BDBM50051512
PNG
((R)-3-(2,5-Dihydro-pyrrole-1-carbonyl)-2-aza-bicyc...)
Show SMILES CC(C)(C)OC(=O)N1C2CCC(CC2)[C@@H]1C(=O)N1CC=CC1 |wD:14.16,c:21,(11.27,-16.99,;11.28,-15.45,;9.94,-14.68,;12.76,-15.85,;12.61,-14.68,;12.61,-13.14,;13.94,-12.37,;11.28,-12.37,;9.95,-13.14,;8.62,-12.37,;8.62,-10.83,;9.95,-10.06,;9.17,-11.39,;10.65,-10.97,;11.28,-10.83,;12.61,-10.06,;13.94,-10.83,;12.62,-8.52,;13.87,-7.61,;13.39,-6.14,;11.86,-6.14,;11.39,-7.61,)|
Show InChI InChI=1S/C17H26N2O3/c1-17(2,3)22-16(21)19-13-8-6-12(7-9-13)14(19)15(20)18-10-4-5-11-18/h4-5,12-14H,6-11H2,1-3H3/t12?,13?,14-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against Post-proline cleaving enzyme from Flavobacterium meningosepticum


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


(Homo sapiens (Human))
BDBM50051536
PNG
(6,6-Dicyclopropyl-1-[(S)-3-(pyrrolidine-1-carbonyl...)
Show SMILES O=C(CCCC=C(C1CC1)C1CC1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:20.24,(12.28,-11.07,;10.95,-11.84,;10.95,-13.38,;12.28,-14.15,;11.89,-15.65,;13.21,-16.41,;13.2,-17.96,;12.17,-19.11,;11.85,-20.58,;10.73,-19.6,;14.67,-18.22,;15.78,-19.18,;16.12,-17.7,;9.62,-11.07,;8.29,-11.83,;6.95,-11.07,;6.95,-9.52,;8.29,-8.74,;7.51,-10.08,;8.99,-9.68,;9.62,-9.52,;10.95,-8.75,;12.28,-9.54,;10.97,-7.21,;9.73,-6.3,;10.2,-4.84,;11.72,-4.82,;12.21,-6.31,)|
Show InChI InChI=1S/C24H36N2O2/c27-22(6-2-1-5-21(17-7-8-17)18-9-10-18)26-20-13-11-19(12-14-20)23(26)24(28)25-15-3-4-16-25/h5,17-20,23H,1-4,6-16H2/t19?,20?,23-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against Post-proline cleaving enzyme from Flavobacterium meningosepticum


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


(Homo sapiens (Human))
BDBM50051510
PNG
((R)-3-(Pyrrolidine-1-carbonyl)-2-aza-bicyclo[2.2.2...)
Show SMILES CC(C)(C)OC(=O)N1C2CCC(CC2)[C@@H]1C(=O)N1CCCC1 |wD:14.16,(10.06,-15.21,;11.39,-15.99,;12.88,-16.39,;11.39,-17.53,;12.72,-15.22,;12.72,-13.68,;14.05,-12.91,;11.39,-12.91,;10.06,-13.67,;8.73,-12.91,;8.73,-11.37,;10.06,-10.59,;9.29,-11.92,;10.76,-11.51,;11.39,-11.37,;12.72,-10.6,;14.05,-11.37,;12.74,-9.06,;11.5,-8.15,;11.98,-6.68,;13.49,-6.67,;13.98,-8.15,)|
Show InChI InChI=1S/C17H28N2O3/c1-17(2,3)22-16(21)19-13-8-6-12(7-9-13)14(19)15(20)18-10-4-5-11-18/h12-14H,4-11H2,1-3H3/t12?,13?,14-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against Post-proline cleaving enzyme from Flavobacterium meningosepticum


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
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50011367
PNG
(1-(3-Mercapto-2-methyl-propionyl)-pyrrolidine-2-ca...)
Show SMILES C[C@H](CS)C(=O)N1CCCC1C(O)=O
Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7?/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
In vitro activity against angiotensin I converting enzyme especially against Hip-His-Leu residues


J Med Chem 34: 663-9 (1991)


BindingDB Entry DOI: 10.7270/Q21V5FKF
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50051517
PNG
((R)-3-(Thiazolidine-3-carbonyl)-2-aza-bicyclo[2.2....)
Show SMILES CC(C)(C)OC(=O)N1C2CCC(CC2)[C@@H]1C(=O)N1CCSC1 |wD:14.16,(11.41,-17.05,;11.41,-15.5,;10.07,-14.73,;12.9,-15.9,;12.75,-14.73,;12.75,-13.19,;14.08,-12.42,;11.41,-12.42,;10.08,-13.19,;8.75,-12.42,;8.75,-10.88,;10.08,-10.1,;9.3,-11.44,;10.78,-11.03,;11.41,-10.88,;12.75,-10.1,;14.08,-10.89,;12.76,-8.56,;14.01,-7.67,;13.53,-6.18,;12,-6.19,;11.52,-7.65,)|
Show InChI InChI=1S/C16H26N2O3S/c1-16(2,3)21-15(20)18-12-6-4-11(5-7-12)13(18)14(19)17-8-9-22-10-17/h11-13H,4-10H2,1-3H3/t11?,12?,13-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against Post-proline cleaving enzyme from Flavobacterium meningosepticum


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


(Homo sapiens (Human))
BDBM50051546
PNG
((E)-6,6-Dicyclopropyl-1-[(S)-3-(pyrrolidine-1-carb...)
Show SMILES O=C(CC\C=C\C(C1CC1)C1CC1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:20.24,(9.28,-16.32,;7.95,-17.09,;7.93,-18.63,;9.28,-19.41,;9.26,-20.95,;10.61,-21.72,;11.31,-23.09,;10.94,-24.59,;11.34,-26.04,;9.89,-25.69,;12.74,-22.63,;14.17,-22.97,;13.77,-21.5,;6.6,-16.32,;5.27,-17.08,;3.95,-16.32,;3.95,-14.78,;5.27,-14,;4.5,-15.33,;5.98,-14.92,;6.6,-14.78,;7.95,-14.01,;9.28,-14.78,;7.95,-12.46,;6.72,-11.55,;7.18,-10.08,;8.72,-10.07,;9.19,-11.55,)|
Show InChI InChI=1S/C24H36N2O2/c27-22(6-2-1-5-21(17-7-8-17)18-9-10-18)26-20-13-11-19(12-14-20)23(26)24(28)25-15-3-4-16-25/h1,5,17-21,23H,2-4,6-16H2/b5-1+/t19?,20?,23-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against Post-proline cleaving enzyme from Flavobacterium meningosepticum


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


(Homo sapiens (Human))
BDBM50051509
PNG
(5,5-Dicyclopropyl-1-[(S)-3-(pyrrolidine-1-carbonyl...)
Show SMILES O=C(CCCC(C1CC1)C1CC1)N1C2CCC(C2)[C@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C22H34N2O2/c25-20(5-3-4-19(15-6-7-15)16-8-9-16)24-18-11-10-17(14-18)21(24)22(26)23-12-1-2-13-23/h15-19,21H,1-14H2/t17?,18?,21-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against Post-proline cleaving enzyme from Flavobacterium meningosepticum


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


(Rattus norvegicus)
BDBM50051479
PNG
((3-Phenyl-cyclobutyl)-[(S)-3-(pyrrolidine-1-carbon...)
Show SMILES O=C(C1CC(C1)c1ccccc1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:19.23,(7.73,-12.05,;6.4,-12.82,;6.39,-14.36,;5.3,-15.45,;6.39,-16.53,;7.47,-15.45,;6.39,-18.07,;7.72,-18.83,;7.72,-20.37,;6.38,-21.15,;5.05,-20.37,;5.05,-18.84,;5.06,-12.05,;3.73,-12.81,;2.41,-12.05,;2.41,-10.51,;3.73,-9.73,;2.95,-11.06,;4.44,-10.65,;5.06,-10.51,;6.4,-9.74,;7.73,-10.51,;6.4,-8.2,;7.65,-7.29,;7.17,-5.81,;5.65,-5.82,;5.16,-7.29,)|
Show InChI InChI=1S/C23H30N2O2/c26-22(19-14-18(15-19)16-6-2-1-3-7-16)25-20-10-8-17(9-11-20)21(25)23(27)24-12-4-5-13-24/h1-3,6-7,17-21H,4-5,8-15H2/t17?,18?,19?,20?,21-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against Post-proline cleaving enzyme from rat cortex


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


(Homo sapiens (Human))
BDBM50051505
PNG
(4-Phenyl-1-[(R)-3-(pyrrolidine-1-carbonyl)-2-aza-b...)
Show SMILES O=C(CCCc1ccccc1)N1C2CCC(C2)[C@@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C21H28N2O2/c24-19(10-6-9-16-7-2-1-3-8-16)23-18-12-11-17(15-18)20(23)21(25)22-13-4-5-14-22/h1-3,7-8,17-18,20H,4-6,9-15H2/t17?,18?,20-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against Post-proline cleaving enzyme from Flavobacterium meningosepticum


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


(Rattus norvegicus)
BDBM50051479
PNG
((3-Phenyl-cyclobutyl)-[(S)-3-(pyrrolidine-1-carbon...)
Show SMILES O=C(C1CC(C1)c1ccccc1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:19.23,(7.73,-12.05,;6.4,-12.82,;6.39,-14.36,;5.3,-15.45,;6.39,-16.53,;7.47,-15.45,;6.39,-18.07,;7.72,-18.83,;7.72,-20.37,;6.38,-21.15,;5.05,-20.37,;5.05,-18.84,;5.06,-12.05,;3.73,-12.81,;2.41,-12.05,;2.41,-10.51,;3.73,-9.73,;2.95,-11.06,;4.44,-10.65,;5.06,-10.51,;6.4,-9.74,;7.73,-10.51,;6.4,-8.2,;7.65,-7.29,;7.17,-5.81,;5.65,-5.82,;5.16,-7.29,)|
Show InChI InChI=1S/C23H30N2O2/c26-22(19-14-18(15-19)16-6-2-1-3-7-16)25-20-10-8-17(9-11-20)21(25)23(27)24-12-4-5-13-24/h1-3,6-7,17-21H,4-5,8-15H2/t17?,18?,19?,20?,21-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against Post-proline cleaving enzyme from rat cortex


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


(Homo sapiens (Human))
BDBM50051550
PNG
((3aS,7aS)-2-(Azetidine-1-carbonyl)-octahydro-indol...)
Show SMILES CC(C)(C)OC(=O)N1[C@H]2CCCC[C@H]2CC1C(=O)N1CCC1
Show InChI InChI=1S/C17H28N2O3/c1-17(2,3)22-16(21)19-13-8-5-4-7-12(13)11-14(19)15(20)18-9-6-10-18/h12-14H,4-11H2,1-3H3/t12-,13-,14?/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against Post-proline cleaving enzyme from Flavobacterium meningosepticum


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


(Homo sapiens (Human))
BDBM50051547
PNG
((S)-2-(Pyrrolidine-1-carbonyl)-pyrrolidine-1-carbo...)
Show SMILES CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCCC1
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
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n/an/a 32n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against Post-proline cleaving enzyme from Flavobacterium meningosepticum


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


(Rattus norvegicus)
BDBM50051527
PNG
(((1S,2R)-2-Phenyl-cyclopropyl)-[(2S,3aS,7aS)-2-(py...)
Show SMILES O=C([C@H]1C[C@H]1c1ccccc1)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1
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
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n/an/a 33n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against Post-proline cleaving enzyme from rat cortex


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


(Homo sapiens (Human))
BDBM50051534
PNG
(4-Phenyl-1-[(2R,3aS,7aS)-2-(pyrrolidine-1-carbonyl...)
Show SMILES O=C(CCCc1ccccc1)N1[C@H]2CCCC[C@H]2C[C@@H]1C(=O)N1CCCC1
Show InChI InChI=1S/C23H32N2O2/c26-22(14-8-11-18-9-2-1-3-10-18)25-20-13-5-4-12-19(20)17-21(25)23(27)24-15-6-7-16-24/h1-3,9-10,19-21H,4-8,11-17H2/t19-,20-,21+/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against Post-proline cleaving enzyme from Flavobacterium meningosepticum


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


(Homo sapiens (Human))
BDBM50407833
PNG
(CHEMBL2115184)
Show SMILES FC(F)(F)[C@H](CC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1)c1ccccc1
Show InChI InChI=1S/C23H29F3N2O2/c24-23(25,26)18(16-8-2-1-3-9-16)15-21(29)28-19-11-5-4-10-17(19)14-20(28)22(30)27-12-6-7-13-27/h1-3,8-9,17-20H,4-7,10-15H2/t17-,18+,19-,20-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against Post-proline cleaving enzyme from Flavobacterium meningosepticum


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


(Homo sapiens (Human))
BDBM50051535
PNG
(6,6-Dicyclopropyl-1-[(S)-3-(pyrrolidine-1-carbonyl...)
Show SMILES O=C(CCCCC(C1CC1)C1CC1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:20.24,(8.06,-.37,;6.73,-1.14,;6.73,-2.68,;5.4,-3.45,;5.37,-4.99,;4.04,-5.76,;4.04,-7.3,;2.71,-8.06,;1.2,-8.06,;1.94,-9.4,;5.37,-8.06,;6.14,-9.4,;6.91,-8.06,;5.4,-.37,;4.07,-1.14,;4.77,1.02,;3.27,.61,;4.07,1.94,;2.74,1.17,;2.74,-.37,;5.4,1.17,;6.73,1.94,;8.06,1.16,;6.73,3.48,;5.49,4.39,;5.98,5.85,;7.5,5.87,;7.99,4.38,)|
Show InChI InChI=1S/C24H38N2O2/c27-22(6-2-1-5-21(17-7-8-17)18-9-10-18)26-20-13-11-19(12-14-20)23(26)24(28)25-15-3-4-16-25/h17-21,23H,1-16H2/t19?,20?,23-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against Post-proline cleaving enzyme from Flavobacterium meningosepticum


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


(Homo sapiens (Human))
BDBM50051533
PNG
(5-Cyclopentyl-6,6,6-trifluoro-1-[(2S,3aS,7aS)-2-(p...)
Show SMILES FC(F)(F)C(CCCC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCCC1)C1CCCC1
Show InChI InChI=1S/C24H37F3N2O2/c25-24(26,27)19(17-8-1-2-9-17)11-7-13-22(30)29-20-12-4-3-10-18(20)16-21(29)23(31)28-14-5-6-15-28/h17-21H,1-16H2/t18-,19?,20-,21-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against Post-proline cleaving enzyme from Flavobacterium meningosepticum


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


(Homo sapiens (Human))
BDBM50051488
PNG
(((1R,2S)-2-Phenyl-cyclopropyl)-[(S)-3-(pyrrolidine...)
Show SMILES O=C([C@@H]1C[C@@H]1c1ccccc1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:2.1,18.22,4.5,(12.37,-7.7,;11.04,-8.47,;11.04,-9.99,;10.27,-11.35,;11.81,-11.34,;13.14,-12.11,;13.14,-13.65,;14.47,-14.4,;15.8,-13.63,;15.8,-12.09,;14.47,-11.32,;9.71,-7.7,;8.38,-8.45,;7.05,-7.7,;7.05,-6.16,;8.38,-5.37,;7.61,-6.7,;9.08,-6.3,;9.71,-6.16,;11.04,-5.39,;12.37,-6.17,;11.06,-3.85,;9.82,-2.94,;10.3,-1.48,;11.81,-1.45,;12.3,-2.95,)|
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+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against Post-proline cleaving enzyme from Flavobacterium meningosepticum


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
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