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BDBM50100897 2-(2-Hydroxy-phenyl)-1H-benzoimidazole-5-carboxamidine::2-(2-Hydroxy-phenyl)-3H-benzoimidazole-5-carboxamidine::2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}BENZENOLATE::CHEMBL433501

SMILES: NC(=N)c1ccc2nc([nH]c2c1)-c1ccccc1O

InChI Key: InChIKey=URJKRCBBKTXOHS-UHFFFAOYSA-N

Data: 13 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50100897   
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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50100897
PNG
(2-(2-Hydroxy-phenyl)-1H-benzoimidazole-5-carboxami...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1ccccc1O
Show InChI InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)
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5.50E+3n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of urokinase-type plasminogen activator (microPa)


Bioorg Med Chem Lett 12: 2023-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00312-8
BindingDB Entry DOI: 10.7270/Q2ZG6RK4
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50100897
PNG
(2-(2-Hydroxy-phenyl)-1H-benzoimidazole-5-carboxami...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1ccccc1O
Show InChI InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)
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5.50E+3n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human uPA by fluorescence based assay using L-PyroGlu-Gly-Arg-pNA.HCl as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50100897
PNG
(2-(2-Hydroxy-phenyl)-1H-benzoimidazole-5-carboxami...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1ccccc1O
Show InChI InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)
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5.50E+3n/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
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50100897
PNG
(2-(2-Hydroxy-phenyl)-1H-benzoimidazole-5-carboxami...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1ccccc1O
Show InChI InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(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
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
Coagulation factor X


(Bos taurus)
BDBM50100897
PNG
(2-(2-Hydroxy-phenyl)-1H-benzoimidazole-5-carboxami...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1ccccc1O
Show InChI InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)
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1.40E+4n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of bovine factor 10a by fluorescence based assay using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50100897
PNG
(2-(2-Hydroxy-phenyl)-1H-benzoimidazole-5-carboxami...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1ccccc1O
Show InChI InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)
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2.30E+4n/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
Trypsin


(Homo sapiens (human))
BDBM50100897
PNG
(2-(2-Hydroxy-phenyl)-1H-benzoimidazole-5-carboxami...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1ccccc1O
Show InChI InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)
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2.30E+4n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human trypsin by fluorescence based assay using 25 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (human))
BDBM50100897
PNG
(2-(2-Hydroxy-phenyl)-1H-benzoimidazole-5-carboxami...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1ccccc1O
Show InChI InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)
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4.00E+4n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin by fluorescence based assay using 65 uM BOC-Gln-Arg-Arg -AMC as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50100897
PNG
(2-(2-Hydroxy-phenyl)-1H-benzoimidazole-5-carboxami...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1ccccc1O
Show InChI InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)
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4.60E+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
Plasminogen


(Homo sapiens (human))
BDBM50100897
PNG
(2-(2-Hydroxy-phenyl)-1H-benzoimidazole-5-carboxami...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1ccccc1O
Show InChI InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)
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4.60E+4n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human plasmin by fluorescence based assay using pyroGlu-Phe-Lys-pNA.HCl as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50100897
PNG
(2-(2-Hydroxy-phenyl)-1H-benzoimidazole-5-carboxami...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1ccccc1O
Show InChI InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)
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5.50E+4n/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
Prothrombin


(Homo sapiens (Human))
BDBM50100897
PNG
(2-(2-Hydroxy-phenyl)-1H-benzoimidazole-5-carboxami...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1ccccc1O
Show InChI InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)
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5.50E+4n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human thrombin by fluorescence based assay using 100 uM Boc-Gln-Ala-Arg-7-amido-4-methyl coumarinhydrobromide as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.042
BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50100897
PNG
(2-(2-Hydroxy-phenyl)-1H-benzoimidazole-5-carboxami...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1ccccc1O
Show InChI InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)
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7.50E+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
Sporulation kinase A


(Bacillus subtilis (strain 168))
BDBM50100897
PNG
(2-(2-Hydroxy-phenyl)-1H-benzoimidazole-5-carboxami...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1ccccc1O
Show InChI InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)
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n/an/a 4.70E+5n/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of KinA/Sp0F system two component (TCS) from Bacillus subtilis.


Bioorg Med Chem Lett 11: 1545-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00024-5
More data for this
Ligand-Target Pair