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BDBM50102788 2-(2-Hydroxy-3-methoxy-phenyl)-1H-benzoimidazole-5-carboxamidine::CHEMBL94139

SMILES: COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O

InChI Key: InChIKey=MXYHBEGHRXMSNT-UHFFFAOYSA-N

Data: 6 KI

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 6 hits for monomerid = 50102788   
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))
BDBM50102788
PNG
(2-(2-Hydroxy-3-methoxy-phenyl)-1H-benzoimidazole-5...)
Show SMILES COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C15H14N4O2/c1-21-12-4-2-3-9(13(12)20)15-18-10-6-5-8(14(16)17)7-11(10)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)
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PubMed
3.60E+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))
BDBM50102788
PNG
(2-(2-Hydroxy-3-methoxy-phenyl)-1H-benzoimidazole-5...)
Show SMILES COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C15H14N4O2/c1-21-12-4-2-3-9(13(12)20)15-18-10-6-5-8(14(16)17)7-11(10)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)
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1.60E+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
Plasminogen


(Homo sapiens (human))
BDBM50102788
PNG
(2-(2-Hydroxy-3-methoxy-phenyl)-1H-benzoimidazole-5...)
Show SMILES COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C15H14N4O2/c1-21-12-4-2-3-9(13(12)20)15-18-10-6-5-8(14(16)17)7-11(10)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)
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1.90E+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
Trypsin-1


(Homo sapiens (human))
BDBM50102788
PNG
(2-(2-Hydroxy-3-methoxy-phenyl)-1H-benzoimidazole-5...)
Show SMILES COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C15H14N4O2/c1-21-12-4-2-3-9(13(12)20)15-18-10-6-5-8(14(16)17)7-11(10)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)
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3.00E+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
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50102788
PNG
(2-(2-Hydroxy-3-methoxy-phenyl)-1H-benzoimidazole-5...)
Show SMILES COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C15H14N4O2/c1-21-12-4-2-3-9(13(12)20)15-18-10-6-5-8(14(16)17)7-11(10)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)
PDB
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Article
PubMed
6.90E+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
Prothrombin


(Homo sapiens (Human))
BDBM50102788
PNG
(2-(2-Hydroxy-3-methoxy-phenyl)-1H-benzoimidazole-5...)
Show SMILES COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O
Show InChI InChI=1S/C15H14N4O2/c1-21-12-4-2-3-9(13(12)20)15-18-10-6-5-8(14(16)17)7-11(10)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.00E+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