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Articleid 50034917

Compile data set for download or QSAR
Found 34 hits of Enzyme Inhibition Constant Data   
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
Prothrombin


(Homo sapiens (Human))
BDBM50291167
PNG
(1-((S)-Oxo-3-(R)-2-amino-1-phenyl-propyl)-pyrrolid...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1
Show InChI InChI=1S/C23H31N7O3S/c24-16(14-15-6-2-1-3-7-15)22(33)30-12-5-9-18(30)20(32)29-17(8-4-10-28-23(25)26)19(31)21-27-11-13-34-21/h1-3,6-7,11,13,16-18H,4-5,8-10,12,14,24H2,(H,29,32)(H4,25,26,28)/t16-,17+,18+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50291175
PNG
(((R)-1-Benzyl-2-{(S)-2-[(R)-4-guanidino-1-(thiazol...)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C31H37N7O5S/c32-30(33)35-15-7-13-23(26(39)28-34-16-18-44-28)36-27(40)25-14-8-17-38(25)29(41)24(19-21-9-3-1-4-10-21)37-31(42)43-20-22-11-5-2-6-12-22/h1-6,9-12,16,18,23-25H,7-8,13-15,17,19-20H2,(H,36,40)(H,37,42)(H4,32,33,35)/t23-,24-,25+/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50291175
PNG
(((R)-1-Benzyl-2-{(S)-2-[(R)-4-guanidino-1-(thiazol...)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C31H37N7O5S/c32-30(33)35-15-7-13-23(26(39)28-34-16-18-44-28)36-27(40)25-14-8-17-38(25)29(41)24(19-21-9-3-1-4-10-21)37-31(42)43-20-22-11-5-2-6-12-22/h1-6,9-12,16,18,23-25H,7-8,13-15,17,19-20H2,(H,36,40)(H,37,42)(H4,32,33,35)/t23-,24-,25+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50291173
PNG
(1-((S)-2-Amino-3-(R)-phenyl-propionyl)-azetidine-2...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1
Show InChI InChI=1S/C22H29N7O3S/c23-15(13-14-5-2-1-3-6-14)21(32)29-11-8-17(29)19(31)28-16(7-4-9-27-22(24)25)18(30)20-26-10-12-33-20/h1-3,5-6,10,12,15-17H,4,7-9,11,13,23H2,(H,28,31)(H4,24,25,27)/t15-,16+,17+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50291167
PNG
(1-((S)-Oxo-3-(R)-2-amino-1-phenyl-propyl)-pyrrolid...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1
Show InChI InChI=1S/C23H31N7O3S/c24-16(14-15-6-2-1-3-7-15)22(33)30-12-5-9-18(30)20(32)29-17(8-4-10-28-23(25)26)19(31)21-27-11-13-34-21/h1-3,6-7,11,13,16-18H,4-5,8-10,12,14,24H2,(H,29,32)(H4,25,26,28)/t16-,17+,18+/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50291163
PNG
(4-Phenyl-1-{(S)-2-[(R)-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+/m1/s1
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n/an/a 4.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for the inhibitory activity against prolyl endo peptidase(PEP) enzyme


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50291168
PNG
((S)-1-(4-Phenyl-butyryl)-pyrrolidine-2-carboxylic ...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C21H25N3O3S/c1-15(19(26)21-22-12-14-28-21)23-20(27)17-10-6-13-24(17)18(25)11-5-9-16-7-3-2-4-8-16/h2-4,7-8,12,14-15,17H,5-6,9-11,13H2,1H3,(H,23,27)/t15-,17-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for the inhibitory activity against prolyl endo peptidase(PEP) enzyme


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50291166
PNG
((R)-2-((R)-2-Amino-3-phenyl-propionylamino)-N-[(S)...)
Show SMILES CC(C)[C@@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1
Show InChI InChI=1S/C23H33N7O3S/c1-14(2)18(30-20(32)16(24)13-15-7-4-3-5-8-15)21(33)29-17(9-6-10-28-23(25)26)19(31)22-27-11-12-34-22/h3-5,7-8,11-12,14,16-18H,6,9-10,13,24H2,1-2H3,(H,29,33)(H,30,32)(H4,25,26,28)/t16-,17+,18-/m1/s1
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n/an/a 8.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50291173
PNG
(1-((S)-2-Amino-3-(R)-phenyl-propionyl)-azetidine-2...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1
Show InChI InChI=1S/C22H29N7O3S/c23-15(13-14-5-2-1-3-6-14)21(32)29-11-8-17(29)19(31)28-16(7-4-9-27-22(24)25)18(30)20-26-10-12-33-20/h1-3,5-6,10,12,15-17H,4,7-9,11,13,23H2,(H,28,31)(H4,24,25,27)/t15-,16+,17+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50291166
PNG
((R)-2-((R)-2-Amino-3-phenyl-propionylamino)-N-[(S)...)
Show SMILES CC(C)[C@@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1
Show InChI InChI=1S/C23H33N7O3S/c1-14(2)18(30-20(32)16(24)13-15-7-4-3-5-8-15)21(33)29-17(9-6-10-28-23(25)26)19(31)22-27-11-12-34-22/h3-5,7-8,11-12,14,16-18H,6,9-10,13,24H2,1-2H3,(H,29,33)(H,30,32)(H4,25,26,28)/t16-,17+,18-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50291172
PNG
((S)-1-(3-Phenyl-propionyl)-pyrrolidine-2-carboxyli...)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CCc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C23H30N6O3S/c24-23(25)27-12-4-8-17(20(31)22-26-13-15-33-22)28-21(32)18-9-5-14-29(18)19(30)11-10-16-6-2-1-3-7-16/h1-3,6-7,13,15,17-18H,4-5,8-12,14H2,(H,28,32)(H4,24,25,27)/t17-,18+/m1/s1
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n/an/a 230n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50291171
PNG
((S)-1-(4-Phenyl-butyryl)-pyrrolidine-2-carboxylic ...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C24H32N6O3S/c25-24(26)28-13-5-10-18(21(32)23-27-14-16-34-23)29-22(33)19-11-6-15-30(19)20(31)12-4-9-17-7-2-1-3-8-17/h1-3,7-8,14,16,18-19H,4-6,9-13,15H2,(H,29,33)(H4,25,26,28)/t18-,19-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50291170
PNG
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)c1nccs1
Show InChI InChI=1S/C25H33N7O4S/c1-16(33)30-19(15-17-7-3-2-4-8-17)24(36)32-13-6-10-20(32)22(35)31-18(9-5-11-29-25(26)27)21(34)23-28-12-14-37-23/h2-4,7-8,12,14,18-20H,5-6,9-11,13,15H2,1H3,(H,30,33)(H,31,35)(H4,26,27,29)/t18-,19-,20+/m1/s1
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n/an/a 230n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50118724
PNG
((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C23H31N5O3S/c24-11-5-4-9-18(20(29)22-26-12-14-32-22)27-21(30)19-10-6-13-28(19)23(31)17(25)15-16-7-2-1-3-8-16/h1-3,7-8,12,14,17-19H,4-6,9-11,13,15,24-25H2,(H,27,30)/t17-,18+,19+/m1/s1
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n/an/a 260n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50038001
PNG
((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...)
Show SMILES C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1cccc2CC(C)CNc12
Show InChI InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50291174
PNG
((S)-1-((R)-2-Amino-3-phenyl-propionyl)-piperidine-...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)c1nccs1
Show InChI InChI=1S/C24H33N7O3S/c25-17(15-16-7-2-1-3-8-16)23(34)31-13-5-4-10-19(31)21(33)30-18(9-6-11-29-24(26)27)20(32)22-28-12-14-35-22/h1-3,7-8,12,14,17-19H,4-6,9-11,13,15,25H2,(H,30,33)(H4,26,27,29)/t17-,18-,19+/m1/s1
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n/an/a 730n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50291172
PNG
((S)-1-(3-Phenyl-propionyl)-pyrrolidine-2-carboxyli...)
Show SMILES NC(=N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CCc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C23H30N6O3S/c24-23(25)27-12-4-8-17(20(31)22-26-13-15-33-22)28-21(32)18-9-5-14-29(18)19(30)11-10-16-6-2-1-3-7-16/h1-3,6-7,13,15,17-18H,4-5,8-12,14H2,(H,28,32)(H4,24,25,27)/t17-,18+/m1/s1
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n/an/a 820n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50118724
PNG
((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C23H31N5O3S/c24-11-5-4-9-18(20(29)22-26-12-14-32-22)27-21(30)19-10-6-13-28(19)23(31)17(25)15-16-7-2-1-3-8-16/h1-3,7-8,12,14,17-19H,4-6,9-11,13,15,24-25H2,(H,27,30)/t17-,18+,19+/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50291171
PNG
((S)-1-(4-Phenyl-butyryl)-pyrrolidine-2-carboxylic ...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C24H32N6O3S/c25-24(26)28-13-5-10-18(21(32)23-27-14-16-34-23)29-22(33)19-11-6-15-30(19)20(31)12-4-9-17-7-2-1-3-8-17/h1-3,7-8,14,16,18-19H,4-6,9-13,15H2,(H,29,33)(H4,25,26,28)/t18-,19-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50291170
PNG
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)
Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)c1nccs1
Show InChI InChI=1S/C25H33N7O4S/c1-16(33)30-19(15-17-7-3-2-4-8-17)24(36)32-13-6-10-20(32)22(35)31-18(9-5-11-29-25(26)27)21(34)23-28-12-14-37-23/h2-4,7-8,12,14,18-20H,5-6,9-11,13,15H2,1H3,(H,30,33)(H,31,35)(H4,26,27,29)/t18-,19-,20+/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50291164
PNG
((S)-1-(4-Phenyl-butyryl)-pyrrolidine-2-carboxylic ...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C24H32N4O3S/c25-14-5-4-11-19(22(30)24-26-15-17-32-24)27-23(31)20-12-7-16-28(20)21(29)13-6-10-18-8-2-1-3-9-18/h1-3,8-9,15,17,19-20H,4-7,10-14,16,25H2,(H,27,31)/t19-,20-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50291169
PNG
((S)-1-(4-Phenyl-butyryl)-pyrrolidine-2-carboxylic ...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C23H29N3O3S/c1-16(2)20(21(28)23-24-13-15-30-23)25-22(29)18-11-7-14-26(18)19(27)12-6-10-17-8-4-3-5-9-17/h3-5,8-9,13,15-16,18,20H,6-7,10-12,14H2,1-2H3,(H,25,29)/t18-,20-/m0/s1
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n/an/a 7.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for the inhibitory activity against prolyl endo peptidase(PEP) enzyme


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50291164
PNG
((S)-1-(4-Phenyl-butyryl)-pyrrolidine-2-carboxylic ...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C24H32N4O3S/c25-14-5-4-11-19(22(30)24-26-15-17-32-24)27-23(31)20-12-7-16-28(20)21(29)13-6-10-18-8-2-1-3-9-18/h1-3,8-9,15,17,19-20H,4-7,10-14,16,25H2,(H,27,31)/t19-,20-/m0/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for the inhibitory activity against prolyl endo peptidase(PEP) enzyme


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50291165
PNG
((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...)
Show SMILES NCCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C24H33N5O3S/c25-12-6-2-5-10-19(21(30)23-27-13-15-33-23)28-22(31)20-11-7-14-29(20)24(32)18(26)16-17-8-3-1-4-9-17/h1,3-4,8-9,13,15,18-20H,2,5-7,10-12,14,16,25-26H2,(H,28,31)/t18-,19+,20+/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50291165
PNG
((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...)
Show SMILES NCCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C24H33N5O3S/c25-12-6-2-5-10-19(21(30)23-27-13-15-33-23)28-22(31)20-11-7-14-29(20)24(32)18(26)16-17-8-3-1-4-9-17/h1,3-4,8-9,13,15,18-20H,2,5-7,10-12,14,16,25-26H2,(H,28,31)/t18-,19+,20+/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Sus scrofa)
BDBM50291171
PNG
((S)-1-(4-Phenyl-butyryl)-pyrrolidine-2-carboxylic ...)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C24H32N6O3S/c25-24(26)28-13-5-10-18(21(32)23-27-14-16-34-23)29-22(33)19-11-6-15-30(19)20(31)12-4-9-17-7-2-1-3-8-17/h1-3,7-8,14,16,18-19H,4-6,9-13,15H2,(H,29,33)(H4,25,26,28)/t18-,19-/m0/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for the inhibitory activity against prolyl endo peptidase(PEP) enzyme


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50291174
PNG
((S)-1-((R)-2-Amino-3-phenyl-propionyl)-piperidine-...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)c1nccs1
Show InChI InChI=1S/C24H33N7O3S/c25-17(15-16-7-2-1-3-8-16)23(34)31-13-5-4-10-19(31)21(33)30-18(9-6-11-29-24(26)27)20(32)22-28-12-14-35-22/h1-3,7-8,12,14,17-19H,4-6,9-11,13,15,25H2,(H,30,33)(H4,26,27,29)/t17-,18-,19+/m1/s1
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n/an/a 4.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50291164
PNG
((S)-1-(4-Phenyl-butyryl)-pyrrolidine-2-carboxylic ...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C24H32N4O3S/c25-14-5-4-11-19(22(30)24-26-15-17-32-24)27-23(31)20-12-7-16-28(20)21(29)13-6-10-18-8-2-1-3-9-18/h1-3,8-9,15,17,19-20H,4-7,10-14,16,25H2,(H,27,31)/t19-,20-/m0/s1
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n/an/a 4.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50291169
PNG
((S)-1-(4-Phenyl-butyryl)-pyrrolidine-2-carboxylic ...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C23H29N3O3S/c1-16(2)20(21(28)23-24-13-15-30-23)25-22(29)18-11-7-14-26(18)19(27)12-6-10-17-8-4-3-5-9-17/h3-5,8-9,13,15-16,18,20H,6-7,10-12,14H2,1-2H3,(H,25,29)/t18-,20-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50291163
PNG
(4-Phenyl-1-{(S)-2-[(R)-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+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50291168
PNG
((S)-1-(4-Phenyl-butyryl)-pyrrolidine-2-carboxylic ...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C21H25N3O3S/c1-15(19(26)21-22-12-14-28-21)23-20(27)17-10-6-13-24(17)18(25)11-5-9-16-7-3-2-4-8-16/h2-4,7-8,12,14-15,17H,5-6,9-11,13H2,1H3,(H,23,27)/t15-,17-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50291168
PNG
((S)-1-(4-Phenyl-butyryl)-pyrrolidine-2-carboxylic ...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C21H25N3O3S/c1-15(19(26)21-22-12-14-28-21)23-20(27)17-10-6-13-24(17)18(25)11-5-9-16-7-3-2-4-8-16/h2-4,7-8,12,14-15,17H,5-6,9-11,13H2,1H3,(H,23,27)/t15-,17-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50291169
PNG
((S)-1-(4-Phenyl-butyryl)-pyrrolidine-2-carboxylic ...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)C(=O)c1nccs1
Show InChI InChI=1S/C23H29N3O3S/c1-16(2)20(21(28)23-24-13-15-30-23)25-22(29)18-11-7-14-26(18)19(27)12-6-10-17-8-4-3-5-9-17/h3-5,8-9,13,15-16,18,20H,6-7,10-12,14H2,1-2H3,(H,25,29)/t18-,20-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50291163
PNG
(4-Phenyl-1-{(S)-2-[(R)-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+/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 7: 533-538 (1997)


Article DOI: 10.1016/S0960-894X(97)00057-7
BindingDB Entry DOI: 10.7270/Q28S4QF2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%