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Compile Data Set for Download or QSAR

Found 28 hits of affinity data for UniProtKB/TrEMBL: Q9QUR6   
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


(Mus musculus)
BDBM50038879
PNG
((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
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0.350n/an/an/an/an/an/an/an/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
3D Structure (crystal)
Prolyl endopeptidase


(Mus musculus)
BDBM50279827
PNG
(2-((S)-2-Formyl-pyrrolidine-1-carbonyl)-2,3-dihydr...)
Show SMILES O=C[C@@H]1CCCN1C(=O)C1Cc2ccccc2N1C(=O)OCc1ccccc1
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
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2.40n/an/an/an/a 0.000300 1.40E+5n/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the enzyme kinetic data (kon) for binding inhibition against Prolyl Endopeptidase (PEP)


Bioorg Med Chem Lett 1: 585-590 (1991)


Article DOI: 10.1016/S0960-894X(01)81156-2
BindingDB Entry DOI: 10.7270/Q2SQ909F
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50316840
PNG
((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
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2.40n/an/an/an/an/an/an/an/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)
BDBM50279825
PNG
((1R,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
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3n/an/an/an/a 0.00200 7.00E+5n/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the enzyme kinetic data (kon) for binding inhibition against Prolyl Endopeptidase (PEP)


Bioorg Med Chem Lett 1: 585-590 (1991)


Article DOI: 10.1016/S0960-894X(01)81156-2
BindingDB Entry DOI: 10.7270/Q2SQ909F
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50279826
PNG
((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
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3n/an/an/an/a 0.000700 2.30E+5n/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the enzyme kinetic data (kon) for binding inhibition against Prolyl Endopeptidase (PEP)


Bioorg Med Chem Lett 1: 585-590 (1991)


Article DOI: 10.1016/S0960-894X(01)81156-2
BindingDB Entry DOI: 10.7270/Q2SQ909F
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50279825
PNG
((1R,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
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding inhibition against Prolyl Endopeptidase (PEP).


Bioorg Med Chem Lett 1: 585-590 (1991)


Article DOI: 10.1016/S0960-894X(01)81156-2
BindingDB Entry DOI: 10.7270/Q2SQ909F
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50279826
PNG
((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
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3n/an/an/an/an/an/an/an/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)
BDBM50316836
PNG
((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
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33n/an/an/an/an/an/an/an/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)
BDBM50155838
PNG
((S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbo...)
Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of PREP in C57BL/6 mouse cortex homogenate assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-4-methylcoumarin as s...


ACS Med Chem Lett 10: 1635-1640 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00394
BindingDB Entry DOI: 10.7270/Q2542S18
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prolyl endopeptidase


(Mus musculus)
BDBM50005870
PNG
(CHEMBL3236271)
Show SMILES [11CH3]Nc1ccc(CCCC(=O)N2CCC[C@H]2C(=O)N2CCCC2)cc1 |r|
Show InChI InChI=1S/C20H29N3O2/c1-21-17-11-9-16(10-12-17)6-4-8-19(24)23-15-5-7-18(23)20(25)22-13-2-3-14-22/h9-12,18,21H,2-8,13-15H2,1H3/t18-/m0/s1/i1-1
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n/an/a 3.10n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Competitive inhibition of mouse brain prolyl oligopeptidase


Eur J Med Chem 79: 436-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.014
BindingDB Entry DOI: 10.7270/Q2G162BW
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50529486
PNG
(CHEMBL4549821)
Show SMILES C[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C18H23N3O2/c1-14(18(23)21-12-6-10-16(21)13-19)20-17(22)11-5-9-15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-12H2,1H3,(H,20,22)/t14-,16-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of PREP in C57BL/6 mouse cortex homogenate assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-4-methylcoumarin as s...


ACS Med Chem Lett 10: 1635-1640 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00394
BindingDB Entry DOI: 10.7270/Q2542S18
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50051539
PNG
((S)-4-phenyl-1-(2-(pyrrolidine-1-carbonyl)pyrrolid...)
Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C19H26N2O2/c22-18(12-6-10-16-8-2-1-3-9-16)21-15-7-11-17(21)19(23)20-13-4-5-14-20/h1-3,8-9,17H,4-7,10-15H2/t17-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/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)
BDBM50529474
PNG
(CHEMBL4528594)
Show SMILES C[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1c1nnn[nH]1 |r|
Show InChI InChI=1S/C18H24N6O2/c1-13(19-16(25)11-5-9-14-7-3-2-4-8-14)18(26)24-12-6-10-15(24)17-20-22-23-21-17/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,19,25)(H,20,21,22,23)/t13-,15-/m0/s1
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n/an/a 91n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of PREP in C57BL/6 mouse cortex homogenate assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-4-methylcoumarin as s...


ACS Med Chem Lett 10: 1635-1640 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00394
BindingDB Entry DOI: 10.7270/Q2542S18
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50529487
PNG
(CHEMBL4465322)
Show SMILES O=C(CCCc1ccccc1)NCC(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C17H21N3O2/c18-12-15-9-5-11-20(15)17(22)13-19-16(21)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-11,13H2,(H,19,21)/t15-/m0/s1
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n/an/a 264n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of PREP in C57BL/6 mouse cortex homogenate assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-4-methylcoumarin as s...


ACS Med Chem Lett 10: 1635-1640 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00394
BindingDB Entry DOI: 10.7270/Q2542S18
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50529483
PNG
(CHEMBL4556841)
Show SMILES C[C@H](N(C)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C18H26N2O2/c1-15(18(22)20-13-6-7-14-20)19(2)17(21)12-8-11-16-9-4-3-5-10-16/h3-5,9-10,15H,6-8,11-14H2,1-2H3/t15-/m0/s1
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n/an/a 298n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of PREP in C57BL/6 mouse cortex homogenate assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-4-methylcoumarin as s...


ACS Med Chem Lett 10: 1635-1640 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00394
BindingDB Entry DOI: 10.7270/Q2542S18
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50529494
PNG
(CHEMBL4540171)
Show SMILES CN(CC(=O)N1CCCC1)C(=O)CCCc1ccccc1
Show InChI InChI=1S/C17H24N2O2/c1-18(14-17(21)19-12-5-6-13-19)16(20)11-7-10-15-8-3-2-4-9-15/h2-4,8-9H,5-7,10-14H2,1H3
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n/an/a 5.14E+3n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of PREP in C57BL/6 mouse cortex homogenate assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-4-methylcoumarin as s...


ACS Med Chem Lett 10: 1635-1640 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00394
BindingDB Entry DOI: 10.7270/Q2542S18
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50529475
PNG
(CHEMBL4588059)
Show SMILES C[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C18H25N3O3/c1-13(18(24)21-12-6-10-15(21)17(19)23)20-16(22)11-5-9-14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H2,19,23)(H,20,22)/t13-,15-/m0/s1
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n/an/a 6.21E+3n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of PREP in C57BL/6 mouse cortex homogenate assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-4-methylcoumarin as s...


ACS Med Chem Lett 10: 1635-1640 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00394
BindingDB Entry DOI: 10.7270/Q2542S18
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50529484
PNG
(CHEMBL4586782)
Show SMILES O=C(CCCc1ccccc1)NCCC(=O)N1CCCC1
Show InChI InChI=1S/C17H24N2O2/c20-16(10-6-9-15-7-2-1-3-8-15)18-12-11-17(21)19-13-4-5-14-19/h1-3,7-8H,4-6,9-14H2,(H,18,20)
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n/an/a 1.21E+4n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of PREP in C57BL/6 mouse cortex homogenate assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-4-methylcoumarin as s...


ACS Med Chem Lett 10: 1635-1640 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00394
BindingDB Entry DOI: 10.7270/Q2542S18
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50529491
PNG
(CHEMBL4520738)
Show SMILES CC(C)(NC(=O)CCCc1ccccc1)C(=O)N1CCCC1
Show InChI InChI=1S/C18H26N2O2/c1-18(2,17(22)20-13-6-7-14-20)19-16(21)12-8-11-15-9-4-3-5-10-15/h3-5,9-10H,6-8,11-14H2,1-2H3,(H,19,21)
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n/an/a 1.35E+4n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of PREP in C57BL/6 mouse cortex homogenate assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-4-methylcoumarin as s...


ACS Med Chem Lett 10: 1635-1640 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00394
BindingDB Entry DOI: 10.7270/Q2542S18
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50529485
PNG
(CHEMBL4475037)
Show SMILES C[C@H](N(C)C(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C19H27N3O3/c1-14(19(25)22-13-7-11-16(22)18(20)24)21(2)17(23)12-6-10-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3,(H2,20,24)/t14-,16-/m0/s1
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n/an/a 2.88E+4n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of PREP in C57BL/6 mouse cortex homogenate assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-4-methylcoumarin as s...


ACS Med Chem Lett 10: 1635-1640 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00394
BindingDB Entry DOI: 10.7270/Q2542S18
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50529489
PNG
(CHEMBL4551013)
Show SMILES C[C@@H](NC(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C17H24N2O2/c1-14(17(21)19-12-5-6-13-19)18-16(20)11-7-10-15-8-3-2-4-9-15/h2-4,8-9,14H,5-7,10-13H2,1H3,(H,18,20)/t14-/m1/s1
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n/an/a 3.52E+4n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of PREP in C57BL/6 mouse cortex homogenate assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-4-methylcoumarin as s...


ACS Med Chem Lett 10: 1635-1640 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00394
BindingDB Entry DOI: 10.7270/Q2542S18
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50529495
PNG
(CHEMBL4441906)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CCCc1ccccc1 |r|
Show InChI InChI=1S/C17H23N3O3/c18-17(23)14-9-5-11-20(14)16(22)12-19-15(21)10-4-8-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H2,18,23)(H,19,21)/t14-/m0/s1
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n/an/a 1.54E+5n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of PREP in C57BL/6 mouse cortex homogenate assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-4-methylcoumarin as s...


ACS Med Chem Lett 10: 1635-1640 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00394
BindingDB Entry DOI: 10.7270/Q2542S18
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50529490
PNG
(CHEMBL4436952)
Show SMILES CN(CC(=O)N1CCC[C@H]1C(N)=O)C(=O)CCCc1ccccc1 |r|
Show InChI InChI=1S/C18H25N3O3/c1-20(13-17(23)21-12-6-10-15(21)18(19)24)16(22)11-5-9-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13H2,1H3,(H2,19,24)/t15-/m0/s1
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n/an/a 4.57E+5n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of PREP in C57BL/6 mouse cortex homogenate assessed as formation of 7-amido-4-methylcoumarin using Suc-Gly-Pro-amido-4-methylcoumarin as s...


ACS Med Chem Lett 10: 1635-1640 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00394
BindingDB Entry DOI: 10.7270/Q2542S18
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50279826
PNG
((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
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n/an/an/an/an/a 0.000700n/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the enzyme kinetic data (koff) for binding inhibition against Prolyl Endopeptidase (PEP)


Bioorg Med Chem Lett 1: 585-590 (1991)


Article DOI: 10.1016/S0960-894X(01)81156-2
BindingDB Entry DOI: 10.7270/Q2SQ909F
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50279825
PNG
((1R,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
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n/an/an/an/an/a 0.00200n/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the enzyme kinetic data (koff) for binding inhibition against Prolyl Endopeptidase (PEP)


Bioorg Med Chem Lett 1: 585-590 (1991)


Article DOI: 10.1016/S0960-894X(01)81156-2
BindingDB Entry DOI: 10.7270/Q2SQ909F
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50279827
PNG
(2-((S)-2-Formyl-pyrrolidine-1-carbonyl)-2,3-dihydr...)
Show SMILES O=C[C@@H]1CCCN1C(=O)C1Cc2ccccc2N1C(=O)OCc1ccccc1
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
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n/an/an/an/an/a 0.000300n/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the enzyme kinetic data (koff) for binding inhibition against Prolyl Endopeptidase (PEP)


Bioorg Med Chem Lett 1: 585-590 (1991)


Article DOI: 10.1016/S0960-894X(01)81156-2
BindingDB Entry DOI: 10.7270/Q2SQ909F
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50279826
PNG
((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
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n/an/an/an/an/an/a 2.30E+5n/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the enzyme kinetic data (kon) for binding inhibition against Prolyl Endopeptidase (PEP)


Bioorg Med Chem Lett 1: 585-590 (1991)


Article DOI: 10.1016/S0960-894X(01)81156-2
BindingDB Entry DOI: 10.7270/Q2SQ909F
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50279827
PNG
(2-((S)-2-Formyl-pyrrolidine-1-carbonyl)-2,3-dihydr...)
Show SMILES O=C[C@@H]1CCCN1C(=O)C1Cc2ccccc2N1C(=O)OCc1ccccc1
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
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n/an/an/an/an/an/a 1.40E+5n/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the enzyme kinetic data (kon) for binding inhibition against Prolyl Endopeptidase (PEP)


Bioorg Med Chem Lett 1: 585-590 (1991)


Article DOI: 10.1016/S0960-894X(01)81156-2
BindingDB Entry DOI: 10.7270/Q2SQ909F
More data for this
Ligand-Target Pair