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BDBM50138663 2-naphthimidamide::CHEMBL105171::Naphthalene-2-carboxamidine::uPa_6

SMILES: NC(=N)c1ccc2ccccc2c1

InChI Key: InChIKey=URXJHZXEUUFNKM-UHFFFAOYSA-N

Data: 13 KI

PDB links: 1 PDB ID matches this monomer.

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 13 hits for monomerid = 50138663   
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))
BDBM50138663
PNG
(2-naphthimidamide | CHEMBL105171 | Naphthalene-2-c...)
Show SMILES NC(=N)c1ccc2ccccc2c1
Show InChI InChI=1S/C11H10N2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H3,12,13)
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PubMed
5.90E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Urokinase-type plasminogen activator (urokinase)


Bioorg Med Chem Lett 14: 3063-8 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase


(Homo sapiens (Human))
BDBM50138663
PNG
(2-naphthimidamide | CHEMBL105171 | Naphthalene-2-c...)
Show SMILES NC(=N)c1ccc2ccccc2c1
Show InChI InChI=1S/C11H10N2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H3,12,13)
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D3R
5.91E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method1


Citation and Details
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138663
PNG
(2-naphthimidamide | CHEMBL105171 | Naphthalene-2-c...)
Show SMILES NC(=N)c1ccc2ccccc2c1
Show InChI InChI=1S/C11H10N2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H3,12,13)
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5.91E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human urokinase-type plasminogen activator (microPa).


J Med Chem 47: 303-24 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138663
PNG
(2-naphthimidamide | CHEMBL105171 | Naphthalene-2-c...)
Show SMILES NC(=N)c1ccc2ccccc2c1
Show InChI InChI=1S/C11H10N2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H3,12,13)
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5.91E+3 -7.13n/an/an/an/an/a7.425



CSAR



Assay Description
Abbott uPA__Urokinase Human - Ki(uM)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50138663
PNG
(2-naphthimidamide | CHEMBL105171 | Naphthalene-2-c...)
Show SMILES NC(=N)c1ccc2ccccc2c1
Show InChI InChI=1S/C11H10N2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H3,12,13)
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6.31E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of urokinase


J Med Chem 52: 3159-65 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trypsin-1


(Homo sapiens (human))
BDBM50138663
PNG
(2-naphthimidamide | CHEMBL105171 | Naphthalene-2-c...)
Show SMILES NC(=N)c1ccc2ccccc2c1
Show InChI InChI=1S/C11H10N2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H3,12,13)
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7.78E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against porcine trypsin was determined.


J Med Chem 47: 303-24 (2004)

More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (human))
BDBM50138663
PNG
(2-naphthimidamide | CHEMBL105171 | Naphthalene-2-c...)
Show SMILES NC(=N)c1ccc2ccccc2c1
Show InChI InChI=1S/C11H10N2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H3,12,13)
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7.80E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against trypsin


Bioorg Med Chem Lett 14: 3063-8 (2004)

More data for this
Ligand-Target Pair
Plasma kallikrein (KLKB1)


(Homo sapiens (Human))
BDBM50138663
PNG
(2-naphthimidamide | CHEMBL105171 | Naphthalene-2-c...)
Show SMILES NC(=N)c1ccc2ccccc2c1
Show InChI InChI=1S/C11H10N2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H3,12,13)
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PubMed
2.25E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human plasma kallikrein.


J Med Chem 47: 303-24 (2004)

More data for this
Ligand-Target Pair
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50138663
PNG
(2-naphthimidamide | CHEMBL105171 | Naphthalene-2-c...)
Show SMILES NC(=N)c1ccc2ccccc2c1
Show InChI InChI=1S/C11H10N2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H3,12,13)
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2.30E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards P-kallikrein


Bioorg Med Chem Lett 14: 3063-8 (2004)

More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50138663
PNG
(2-naphthimidamide | CHEMBL105171 | Naphthalene-2-c...)
Show SMILES NC(=N)c1ccc2ccccc2c1
Show InChI InChI=1S/C11H10N2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H3,12,13)
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5.10E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against plasmin


Bioorg Med Chem Lett 14: 3063-8 (2004)

More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50138663
PNG
(2-naphthimidamide | CHEMBL105171 | Naphthalene-2-c...)
Show SMILES NC(=N)c1ccc2ccccc2c1
Show InChI InChI=1S/C11H10N2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H3,12,13)
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PubMed
5.13E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human plasmin.


J Med Chem 47: 303-24 (2004)

More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50138663
PNG
(2-naphthimidamide | CHEMBL105171 | Naphthalene-2-c...)
Show SMILES NC(=N)c1ccc2ccccc2c1
Show InChI InChI=1S/C11H10N2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H3,12,13)
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PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards tissue type plasminogen activator


Bioorg Med Chem Lett 14: 3063-8 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50138663
PNG
(2-naphthimidamide | CHEMBL105171 | Naphthalene-2-c...)
Show SMILES NC(=N)c1ccc2ccccc2c1
Show InChI InChI=1S/C11H10N2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H3,12,13)
PDB
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PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Tissue type plasminogen activator.


J Med Chem 47: 303-24 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)