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BDBM50102775 2-(2-Hydroxy-4-methyl-phenyl)-1H-benzoimidazole-5-carboxamidine::CHEMBL92865

SMILES: Cc1ccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c(O)c1

InChI Key: InChIKey=MJALKSPFTYWAAL-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 = 50102775   
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
Prothrombin


(Homo sapiens (Human))
BDBM50102775
PNG
(2-(2-Hydroxy-4-methyl-phenyl)-1H-benzoimidazole-5-...)
Show SMILES Cc1ccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c(O)c1
Show InChI InChI=1S/C15H14N4O/c1-8-2-4-10(13(20)6-8)15-18-11-5-3-9(14(16)17)7-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)
PDB

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PC sid
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Article
PubMed
3.80E+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
Coagulation factor X


(Homo sapiens (human))
BDBM50102775
PNG
(2-(2-Hydroxy-4-methyl-phenyl)-1H-benzoimidazole-5-...)
Show SMILES Cc1ccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c(O)c1
Show InChI InChI=1S/C15H14N4O/c1-8-2-4-10(13(20)6-8)15-18-11-5-3-9(14(16)17)7-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)
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PubMed
9.40E+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))
BDBM50102775
PNG
(2-(2-Hydroxy-4-methyl-phenyl)-1H-benzoimidazole-5-...)
Show SMILES Cc1ccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c(O)c1
Show InChI InChI=1S/C15H14N4O/c1-8-2-4-10(13(20)6-8)15-18-11-5-3-9(14(16)17)7-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)
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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
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50102775
PNG
(2-(2-Hydroxy-4-methyl-phenyl)-1H-benzoimidazole-5-...)
Show SMILES Cc1ccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c(O)c1
Show InChI InChI=1S/C15H14N4O/c1-8-2-4-10(13(20)6-8)15-18-11-5-3-9(14(16)17)7-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)
PDB
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4.80E+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))
BDBM50102775
PNG
(2-(2-Hydroxy-4-methyl-phenyl)-1H-benzoimidazole-5-...)
Show SMILES Cc1ccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c(O)c1
Show InChI InChI=1S/C15H14N4O/c1-8-2-4-10(13(20)6-8)15-18-11-5-3-9(14(16)17)7-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)
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3.50E+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
Trypsin-1


(Homo sapiens (human))
BDBM50102775
PNG
(2-(2-Hydroxy-4-methyl-phenyl)-1H-benzoimidazole-5-...)
Show SMILES Cc1ccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c(O)c1
Show InChI InChI=1S/C15H14N4O/c1-8-2-4-10(13(20)6-8)15-18-11-5-3-9(14(16)17)7-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)
PDB
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PubMed
1.80E+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