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BDBM50102777 2-(5-Fluoro-2-hydroxy-phenyl)-1H-benzoimidazole-5-carboxamidine::2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-FLUOROBENZENOLATE::CHEMBL92277

SMILES: NC(=N)c1ccc2nc([nH]c2c1)-c1cc(F)ccc1O

InChI Key: InChIKey=JOGOACSSLJEREC-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 = 50102777   
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))
BDBM50102777
PNG
(2-(5-Fluoro-2-hydroxy-phenyl)-1H-benzoimidazole-5-...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(F)ccc1O
Show InChI InChI=1S/C14H11FN4O/c15-8-2-4-12(20)9(6-8)14-18-10-3-1-7(13(16)17)5-11(10)19-14/h1-6,20H,(H3,16,17)(H,18,19)
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2.80E+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


(Homo sapiens (Human))
BDBM50102777
PNG
(2-(5-Fluoro-2-hydroxy-phenyl)-1H-benzoimidazole-5-...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(F)ccc1O
Show InChI InChI=1S/C14H11FN4O/c15-8-2-4-12(20)9(6-8)14-18-10-3-1-7(13(16)17)5-11(10)19-14/h1-6,20H,(H3,16,17)(H,18,19)
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6.80E+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))
BDBM50102777
PNG
(2-(5-Fluoro-2-hydroxy-phenyl)-1H-benzoimidazole-5-...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(F)ccc1O
Show InChI InChI=1S/C14H11FN4O/c15-8-2-4-12(20)9(6-8)14-18-10-3-1-7(13(16)17)5-11(10)19-14/h1-6,20H,(H3,16,17)(H,18,19)
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1.00E+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
Plasminogen


(Homo sapiens (Human))
BDBM50102777
PNG
(2-(5-Fluoro-2-hydroxy-phenyl)-1H-benzoimidazole-5-...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(F)ccc1O
Show InChI InChI=1S/C14H11FN4O/c15-8-2-4-12(20)9(6-8)14-18-10-3-1-7(13(16)17)5-11(10)19-14/h1-6,20H,(H3,16,17)(H,18,19)
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2.10E+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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50102777
PNG
(2-(5-Fluoro-2-hydroxy-phenyl)-1H-benzoimidazole-5-...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(F)ccc1O
Show InChI InChI=1S/C14H11FN4O/c15-8-2-4-12(20)9(6-8)14-18-10-3-1-7(13(16)17)5-11(10)19-14/h1-6,20H,(H3,16,17)(H,18,19)
PDB

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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
3.30E+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
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50102777
PNG
(2-(5-Fluoro-2-hydroxy-phenyl)-1H-benzoimidazole-5-...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(F)ccc1O
Show InChI InChI=1S/C14H11FN4O/c15-8-2-4-12(20)9(6-8)14-18-10-3-1-7(13(16)17)5-11(10)19-14/h1-6,20H,(H3,16,17)(H,18,19)
PDB
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NCI pathway
Reactome pathway
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Article
PubMed
4.60E+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