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3 similar compounds to monomer 13941

Compile data set for download or QSAR
Wt: 297.2
BDBM14326
Wt: 297.2
BDBM50102770
Wt: 297.2
BDBM50102787

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 14326,50102770,50102787   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Trypsin


(Bos taurus (bovine))
BDBM14326
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(ccc1[O-])[N+]([O-])=O
Show InChI InChI=1S/C14H11N5O3/c15-13(16)7-1-3-10-11(5-7)18-14(17-10)9-6-8(19(21)22)2-4-12(9)20/h1-6,20H,(H3,15,16)(H,17,18)
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470 -8.54n/an/an/an/an/a6.122



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50102787
PNG
(2-(2-Hydroxy-3-nitro-phenyl)-1H-benzoimidazole-5-c...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C14H11N5O3/c15-13(16)7-4-5-9-10(6-7)18-14(17-9)8-2-1-3-11(12(8)20)19(21)22/h1-6,20H,(H3,15,16)(H,17,18)
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900n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
ComInhibition of Human Serine Protease Urokinase Plasminogen Activator (u-PA).


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50102787
PNG
(2-(2-Hydroxy-3-nitro-phenyl)-1H-benzoimidazole-5-c...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C14H11N5O3/c15-13(16)7-4-5-9-10(6-7)18-14(17-9)8-2-1-3-11(12(8)20)19(21)22/h1-6,20H,(H3,15,16)(H,17,18)
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1.10E+3n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease Thrombin.


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50102787
PNG
(2-(2-Hydroxy-3-nitro-phenyl)-1H-benzoimidazole-5-c...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C14H11N5O3/c15-13(16)7-4-5-9-10(6-7)18-14(17-9)8-2-1-3-11(12(8)20)19(21)22/h1-6,20H,(H3,15,16)(H,17,18)
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1.30E+3n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50102770
PNG
(2-(2-Hydroxy-5-nitro-phenyl)-1H-benzoimidazole-5-c...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(ccc1O)[N+]([O-])=O
Show InChI InChI=1S/C14H11N5O3/c15-13(16)7-1-3-10-11(5-7)18-14(17-10)9-6-8(19(21)22)2-4-12(9)20/h1-6,20H,(H3,15,16)(H,17,18)
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3.30E+3n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human Serine Protease Urokinase Plasminogen Activator


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM14326
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(ccc1[O-])[N+]([O-])=O
Show InChI InChI=1S/C14H11N5O3/c15-13(16)7-1-3-10-11(5-7)18-14(17-10)9-6-8(19(21)22)2-4-12(9)20/h1-6,20H,(H3,15,16)(H,17,18)
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5.10E+3n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM14326
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(ccc1[O-])[N+]([O-])=O
Show InChI InChI=1S/C14H11N5O3/c15-13(16)7-1-3-10-11(5-7)18-14(17-10)9-6-8(19(21)22)2-4-12(9)20/h1-6,20H,(H3,15,16)(H,17,18)
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7.30E+3n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (human))
BDBM50102770
PNG
(2-(2-Hydroxy-5-nitro-phenyl)-1H-benzoimidazole-5-c...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(ccc1O)[N+]([O-])=O
Show InChI InChI=1S/C14H11N5O3/c15-13(16)7-1-3-10-11(5-7)18-14(17-10)9-6-8(19(21)22)2-4-12(9)20/h1-6,20H,(H3,15,16)(H,17,18)
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7.80E+3n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50102787
PNG
(2-(2-Hydroxy-3-nitro-phenyl)-1H-benzoimidazole-5-c...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C14H11N5O3/c15-13(16)7-4-5-9-10(6-7)18-14(17-9)8-2-1-3-11(12(8)20)19(21)22/h1-6,20H,(H3,15,16)(H,17,18)
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8.50E+3n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease Trypsin.


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50102787
PNG
(2-(2-Hydroxy-3-nitro-phenyl)-1H-benzoimidazole-5-c...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C14H11N5O3/c15-13(16)7-4-5-9-10(6-7)18-14(17-9)8-2-1-3-11(12(8)20)19(21)22/h1-6,20H,(H3,15,16)(H,17,18)
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1.40E+4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease tissue type Plasminogen Activator (t-PA).


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50102787
PNG
(2-(2-Hydroxy-3-nitro-phenyl)-1H-benzoimidazole-5-c...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C14H11N5O3/c15-13(16)7-4-5-9-10(6-7)18-14(17-9)8-2-1-3-11(12(8)20)19(21)22/h1-6,20H,(H3,15,16)(H,17,18)
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1.50E+4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease Plasmin.


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14326
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(ccc1[O-])[N+]([O-])=O
Show InChI InChI=1S/C14H11N5O3/c15-13(16)7-1-3-10-11(5-7)18-14(17-10)9-6-8(19(21)22)2-4-12(9)20/h1-6,20H,(H3,15,16)(H,17,18)
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2.30E+4n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50102770
PNG
(2-(2-Hydroxy-5-nitro-phenyl)-1H-benzoimidazole-5-c...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(ccc1O)[N+]([O-])=O
Show InChI InChI=1S/C14H11N5O3/c15-13(16)7-1-3-10-11(5-7)18-14(17-10)9-6-8(19(21)22)2-4-12(9)20/h1-6,20H,(H3,15,16)(H,17,18)
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3.00E+4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Activity against Human Serine Protease Trypsin


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM14326
PNG
(2-{5-[amino(iminiumyl)methyl]-1H-1,3-benzodiazol-2...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(ccc1[O-])[N+]([O-])=O
Show InChI InChI=1S/C14H11N5O3/c15-13(16)7-1-3-10-11(5-7)18-14(17-10)9-6-8(19(21)22)2-4-12(9)20/h1-6,20H,(H3,15,16)(H,17,18)
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3.00E+4n/an/an/an/an/an/an/an/a



Celera



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


J Mol Biol 329: 93-120 (2003)


BindingDB Entry DOI: 10.7270/Q2R78CGQ
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50102770
PNG
(2-(2-Hydroxy-5-nitro-phenyl)-1H-benzoimidazole-5-c...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(ccc1O)[N+]([O-])=O
Show InChI InChI=1S/C14H11N5O3/c15-13(16)7-1-3-10-11(5-7)18-14(17-10)9-6-8(19(21)22)2-4-12(9)20/h1-6,20H,(H3,15,16)(H,17,18)
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3.40E+4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Activity against Human Serine Protease Thrombin


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50102770
PNG
(2-(2-Hydroxy-5-nitro-phenyl)-1H-benzoimidazole-5-c...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(ccc1O)[N+]([O-])=O
Show InChI InChI=1S/C14H11N5O3/c15-13(16)7-1-3-10-11(5-7)18-14(17-10)9-6-8(19(21)22)2-4-12(9)20/h1-6,20H,(H3,15,16)(H,17,18)
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4.10E+4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease Plasmin


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50102770
PNG
(2-(2-Hydroxy-5-nitro-phenyl)-1H-benzoimidazole-5-c...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(ccc1O)[N+]([O-])=O
Show InChI InChI=1S/C14H11N5O3/c15-13(16)7-1-3-10-11(5-7)18-14(17-10)9-6-8(19(21)22)2-4-12(9)20/h1-6,20H,(H3,15,16)(H,17,18)
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5.60E+4n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inihibtion of Human Serine Protease tissue type Plasminogen Activator


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair