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PubMed code 1447734

Compile data set for download or QSAR
Found 29 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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50003738
PNG
((lactone 2)N-[4-(6-Iodomethylene-2-oxo-tetrahydro-...)
Show SMILES NC(=N)NCc1ccc(cc1)C1CC\C(OC1=O)=C\I
Show InChI InChI=1S/C14H16IN3O2/c15-7-11-5-6-12(13(19)20-11)10-3-1-9(2-4-10)8-18-14(16)17/h1-4,7,12H,5-6,8H2,(H4,16,17,18)/b11-7-
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10n/an/an/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against the enzyme Urokinase-type plasminogen activator


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50003738
PNG
((lactone 2)N-[4-(6-Iodomethylene-2-oxo-tetrahydro-...)
Show SMILES NC(=N)NCc1ccc(cc1)C1CC\C(OC1=O)=C\I
Show InChI InChI=1S/C14H16IN3O2/c15-7-11-5-6-12(13(19)20-11)10-3-1-9(2-4-10)8-18-14(16)17/h1-4,7,12H,5-6,8H2,(H4,16,17,18)/b11-7-
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80n/an/an/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against the enzyme trypsin


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50003740
PNG
((Lactone IIa)N-[4-(2-Methylene-6-oxo-tetrahydro-py...)
Show SMILES NC(N)=Nc1ccc(cc1)C1CC(=C)OC(=O)C1
Show InChI InChI=1S/C13H15N3O2/c1-8-6-10(7-12(17)18-8)9-2-4-11(5-3-9)16-13(14)15/h2-5,10H,1,6-7H2,(H4,14,15,16)
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120n/an/an/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against the enzyme Urokinase-type plasminogen activator


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50003738
PNG
((lactone 2)N-[4-(6-Iodomethylene-2-oxo-tetrahydro-...)
Show SMILES NC(=N)NCc1ccc(cc1)C1CC\C(OC1=O)=C\I
Show InChI InChI=1S/C14H16IN3O2/c15-7-11-5-6-12(13(19)20-11)10-3-1-9(2-4-10)8-18-14(16)17/h1-4,7,12H,5-6,8H2,(H4,16,17,18)/b11-7-
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120n/an/an/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against the enzyme Tissue plasminogen activator


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50003737
PNG
((Lactone4)N-[4-(4-Guanidino-phenyl)-6-iodomethylen...)
Show SMILES NC(N)=Nc1ccc(cc1)C1C\C(OC(=O)C1NC(=O)c1ccccc1)=C\I
Show InChI InChI=1S/C20H19IN4O3/c21-11-15-10-16(12-6-8-14(9-7-12)24-20(22)23)17(19(27)28-15)25-18(26)13-4-2-1-3-5-13/h1-9,11,16-17H,10H2,(H,25,26)(H4,22,23,24)/b15-11-
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170n/an/an/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against the enzyme alpha-chymotrypsin


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM50003742
PNG
((Lactone1)N-[4-(6-Methylene-2-oxo-tetrahydro-pyran...)
Show SMILES NC(=N)NCc1ccc(cc1)C1CCC(=C)OC1=O
Show InChI InChI=1S/C14H17N3O2/c1-9-2-7-12(13(18)19-9)11-5-3-10(4-6-11)8-17-14(15)16/h3-6,12H,1-2,7-8H2,(H4,15,16,17)
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350n/an/an/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against the enzyme Urokinase-type plasminogen activator


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50003739
PNG
((Lactone3)N-[4-(4-Guanidino-phenyl)-6-methylene-2-...)
Show SMILES NC(N)=Nc1ccc(cc1)C1CC(=C)OC(=O)C1NC(=O)c1ccccc1
Show InChI InChI=1S/C20H20N4O3/c1-12-11-16(13-7-9-15(10-8-13)23-20(21)22)17(19(26)27-12)24-18(25)14-5-3-2-4-6-14/h2-10,16-17H,1,11H2,(H,24,25)(H4,21,22,23)
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460n/an/an/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against the enzyme alpha-chymotrypsin


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Trypsin I


(Bos taurus (bovine))
BDBM50003737
PNG
((Lactone4)N-[4-(4-Guanidino-phenyl)-6-iodomethylen...)
Show SMILES NC(N)=Nc1ccc(cc1)C1C\C(OC(=O)C1NC(=O)c1ccccc1)=C\I
Show InChI InChI=1S/C20H19IN4O3/c21-11-15-10-16(12-6-8-14(9-7-12)24-20(22)23)17(19(27)28-15)25-18(26)13-4-2-1-3-5-13/h1-9,11,16-17H,10H2,(H,25,26)(H4,22,23,24)/b15-11-
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670n/an/an/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against the enzyme trypsin


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50003738
PNG
((lactone 2)N-[4-(6-Iodomethylene-2-oxo-tetrahydro-...)
Show SMILES NC(=N)NCc1ccc(cc1)C1CC\C(OC1=O)=C\I
Show InChI InChI=1S/C14H16IN3O2/c15-7-11-5-6-12(13(19)20-11)10-3-1-9(2-4-10)8-18-14(16)17/h1-4,7,12H,5-6,8H2,(H4,16,17,18)/b11-7-
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1.19E+3n/an/an/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against the enzyme plasmin


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Trypsin I


(Bos taurus (bovine))
BDBM50003737
PNG
((Lactone4)N-[4-(4-Guanidino-phenyl)-6-iodomethylen...)
Show SMILES NC(N)=Nc1ccc(cc1)C1C\C(OC(=O)C1NC(=O)c1ccccc1)=C\I
Show InChI InChI=1S/C20H19IN4O3/c21-11-15-10-16(12-6-8-14(9-7-12)24-20(22)23)17(19(27)28-15)25-18(26)13-4-2-1-3-5-13/h1-9,11,16-17H,10H2,(H,25,26)(H4,22,23,24)/b15-11-
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2.76E+3n/an/an/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against the enzyme trypsin


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50003741
PNG
(CHEMBL137269 | N-[4-(2-Iodomethylene-6-oxo-tetrahy...)
Show SMILES NC(N)=Nc1ccc(cc1)C1CC(=O)O\C(C1)=C/I
Show InChI InChI=1S/C13H14IN3O2/c14-7-11-5-9(6-12(18)19-11)8-1-3-10(4-2-8)17-13(15)16/h1-4,7,9H,5-6H2,(H4,15,16,17)/b11-7-
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4.28E+3n/an/an/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against the enzyme trypsin


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50003739
PNG
((Lactone3)N-[4-(4-Guanidino-phenyl)-6-methylene-2-...)
Show SMILES NC(N)=Nc1ccc(cc1)C1CC(=C)OC(=O)C1NC(=O)c1ccccc1
Show InChI InChI=1S/C20H20N4O3/c1-12-11-16(13-7-9-15(10-8-13)23-20(21)22)17(19(26)27-12)24-18(25)14-5-3-2-4-6-14/h2-10,16-17H,1,11H2,(H,24,25)(H4,21,22,23)
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6.00E+3n/an/an/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against the enzyme Urokinase-type plasminogen activator


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50003741
PNG
(CHEMBL137269 | N-[4-(2-Iodomethylene-6-oxo-tetrahy...)
Show SMILES NC(N)=Nc1ccc(cc1)C1CC(=O)O\C(C1)=C/I
Show InChI InChI=1S/C13H14IN3O2/c14-7-11-5-9(6-12(18)19-11)8-1-3-10(4-2-8)17-13(15)16/h1-4,7,9H,5-6H2,(H4,15,16,17)/b11-7-
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7.83E+3n/an/an/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against the enzyme Urokinase-type plasminogen activator


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50003740
PNG
((Lactone IIa)N-[4-(2-Methylene-6-oxo-tetrahydro-py...)
Show SMILES NC(N)=Nc1ccc(cc1)C1CC(=C)OC(=O)C1
Show InChI InChI=1S/C13H15N3O2/c1-8-6-10(7-12(17)18-8)9-2-4-11(5-3-9)16-13(14)15/h2-5,10H,1,6-7H2,(H4,14,15,16)
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9.40E+3n/an/an/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against the enzyme trypsin


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50003739
PNG
((Lactone3)N-[4-(4-Guanidino-phenyl)-6-methylene-2-...)
Show SMILES NC(N)=Nc1ccc(cc1)C1CC(=C)OC(=O)C1NC(=O)c1ccccc1
Show InChI InChI=1S/C20H20N4O3/c1-12-11-16(13-7-9-15(10-8-13)23-20(21)22)17(19(26)27-12)24-18(25)14-5-3-2-4-6-14/h2-10,16-17H,1,11H2,(H,24,25)(H4,21,22,23)
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1.00E+4n/an/an/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against the enzyme trypsin


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50003738
PNG
((lactone 2)N-[4-(6-Iodomethylene-2-oxo-tetrahydro-...)
Show SMILES NC(=N)NCc1ccc(cc1)C1CC\C(OC1=O)=C\I
Show InChI InChI=1S/C14H16IN3O2/c15-7-11-5-6-12(13(19)20-11)10-3-1-9(2-4-10)8-18-14(16)17/h1-4,7,12H,5-6,8H2,(H4,16,17,18)/b11-7-
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1.48E+4n/an/an/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against the enzyme thrombin


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM50003737
PNG
((Lactone4)N-[4-(4-Guanidino-phenyl)-6-iodomethylen...)
Show SMILES NC(N)=Nc1ccc(cc1)C1C\C(OC(=O)C1NC(=O)c1ccccc1)=C\I
Show InChI InChI=1S/C20H19IN4O3/c21-11-15-10-16(12-6-8-14(9-7-12)24-20(22)23)17(19(27)28-15)25-18(26)13-4-2-1-3-5-13/h1-9,11,16-17H,10H2,(H,25,26)(H4,22,23,24)/b15-11-
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1.87E+4n/an/an/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against the enzyme Urokinase-type plasminogen activator


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50003742
PNG
((Lactone1)N-[4-(6-Methylene-2-oxo-tetrahydro-pyran...)
Show SMILES NC(=N)NCc1ccc(cc1)C1CCC(=C)OC1=O
Show InChI InChI=1S/C14H17N3O2/c1-9-2-7-12(13(18)19-9)11-5-3-10(4-6-11)8-17-14(15)16/h3-6,12H,1-2,7-8H2,(H4,15,16,17)
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3.79E+4n/an/an/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against the enzyme thrombin


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50003742
PNG
((Lactone1)N-[4-(6-Methylene-2-oxo-tetrahydro-pyran...)
Show SMILES NC(=N)NCc1ccc(cc1)C1CCC(=C)OC1=O
Show InChI InChI=1S/C14H17N3O2/c1-9-2-7-12(13(18)19-9)11-5-3-10(4-6-11)8-17-14(15)16/h3-6,12H,1-2,7-8H2,(H4,15,16,17)
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4.66E+5n/an/an/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against the enzyme plasmin


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50003737
PNG
((Lactone4)N-[4-(4-Guanidino-phenyl)-6-iodomethylen...)
Show SMILES NC(N)=Nc1ccc(cc1)C1C\C(OC(=O)C1NC(=O)c1ccccc1)=C\I
Show InChI InChI=1S/C20H19IN4O3/c21-11-15-10-16(12-6-8-14(9-7-12)24-20(22)23)17(19(27)28-15)25-18(26)13-4-2-1-3-5-13/h1-9,11,16-17H,10H2,(H,25,26)(H4,22,23,24)/b15-11-
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n/an/an/a 0.000800n/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for the rate constant of deacylation against Urokinase-type plasminogen activator


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM50003742
PNG
((Lactone1)N-[4-(6-Methylene-2-oxo-tetrahydro-pyran...)
Show SMILES NC(=N)NCc1ccc(cc1)C1CCC(=C)OC1=O
Show InChI InChI=1S/C14H17N3O2/c1-9-2-7-12(13(18)19-9)11-5-3-10(4-6-11)8-17-14(15)16/h3-6,12H,1-2,7-8H2,(H4,15,16,17)
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n/an/an/a 0.0440n/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for the rate constant of deacylation against the enzyme Urokinase-type plasminogen activator


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM50003737
PNG
((Lactone4)N-[4-(4-Guanidino-phenyl)-6-iodomethylen...)
Show SMILES NC(N)=Nc1ccc(cc1)C1C\C(OC(=O)C1NC(=O)c1ccccc1)=C\I
Show InChI InChI=1S/C20H19IN4O3/c21-11-15-10-16(12-6-8-14(9-7-12)24-20(22)23)17(19(27)28-15)25-18(26)13-4-2-1-3-5-13/h1-9,11,16-17H,10H2,(H,25,26)(H4,22,23,24)/b15-11-
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n/an/an/a 0.00500n/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for the rate constant of deacylation against the enzyme Urokinase-type plasminogen activator


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM50003739
PNG
((Lactone3)N-[4-(4-Guanidino-phenyl)-6-methylene-2-...)
Show SMILES NC(N)=Nc1ccc(cc1)C1CC(=C)OC(=O)C1NC(=O)c1ccccc1
Show InChI InChI=1S/C20H20N4O3/c1-12-11-16(13-7-9-15(10-8-13)23-20(21)22)17(19(26)27-12)24-18(25)14-5-3-2-4-6-14/h2-10,16-17H,1,11H2,(H,24,25)(H4,21,22,23)
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n/an/an/a 0.00200n/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against the enzyme Urokinase-type plasminogen activator


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50003738
PNG
((lactone 2)N-[4-(6-Iodomethylene-2-oxo-tetrahydro-...)
Show SMILES NC(=N)NCc1ccc(cc1)C1CC\C(OC1=O)=C\I
Show InChI InChI=1S/C14H16IN3O2/c15-7-11-5-6-12(13(19)20-11)10-3-1-9(2-4-10)8-18-14(16)17/h1-4,7,12H,5-6,8H2,(H4,16,17,18)/b11-7-
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n/an/an/a 0.0130n/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for the rate constant of deacylation against thrombin


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Trypsin I


(Bos taurus (bovine))
BDBM50003741
PNG
(CHEMBL137269 | N-[4-(2-Iodomethylene-6-oxo-tetrahy...)
Show SMILES NC(N)=Nc1ccc(cc1)C1CC(=O)O\C(C1)=C/I
Show InChI InChI=1S/C13H14IN3O2/c14-7-11-5-9(6-12(18)19-11)8-1-3-10(4-2-8)17-13(15)16/h1-4,7,9H,5-6H2,(H4,15,16,17)/b11-7-
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n/an/an/a 0.0200n/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against the enzyme trypsin


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM50003740
PNG
((Lactone IIa)N-[4-(2-Methylene-6-oxo-tetrahydro-py...)
Show SMILES NC(N)=Nc1ccc(cc1)C1CC(=C)OC(=O)C1
Show InChI InChI=1S/C13H15N3O2/c1-8-6-10(7-12(17)18-8)9-2-4-11(5-3-9)16-13(14)15/h2-5,10H,1,6-7H2,(H4,14,15,16)
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n/an/an/a 0.00900n/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for the rate constant of deacylation against Urokinase-type plasminogen activator


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Trypsin I


(Bos taurus (bovine))
BDBM50003740
PNG
((Lactone IIa)N-[4-(2-Methylene-6-oxo-tetrahydro-py...)
Show SMILES NC(N)=Nc1ccc(cc1)C1CC(=C)OC(=O)C1
Show InChI InChI=1S/C13H15N3O2/c1-8-6-10(7-12(17)18-8)9-2-4-11(5-3-9)16-13(14)15/h2-5,10H,1,6-7H2,(H4,14,15,16)
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n/an/an/a 0.00200n/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against the enzyme Urokinase-type plasminogen activator


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Trypsin I


(Bos taurus (bovine))
BDBM50003739
PNG
((Lactone3)N-[4-(4-Guanidino-phenyl)-6-methylene-2-...)
Show SMILES NC(N)=Nc1ccc(cc1)C1CC(=C)OC(=O)C1NC(=O)c1ccccc1
Show InChI InChI=1S/C20H20N4O3/c1-12-11-16(13-7-9-15(10-8-13)23-20(21)22)17(19(26)27-12)24-18(25)14-5-3-2-4-6-14/h2-10,16-17H,1,11H2,(H,24,25)(H4,21,22,23)
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n/an/an/a 0.0150n/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against the enzyme trypsin


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50003742
PNG
((Lactone1)N-[4-(6-Methylene-2-oxo-tetrahydro-pyran...)
Show SMILES NC(=N)NCc1ccc(cc1)C1CCC(=C)OC1=O
Show InChI InChI=1S/C14H17N3O2/c1-9-2-7-12(13(18)19-9)11-5-3-10(4-6-11)8-17-14(15)16/h3-6,12H,1-2,7-8H2,(H4,15,16,17)
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n/an/an/a 0.00600n/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Compound was tested for the rate constant of deacylation against thrombin


J Med Chem 35: 4297-305 (1992)


Article DOI: 10.1021/jm00101a006
BindingDB Entry DOI: 10.7270/Q2TD9W9D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%