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BDBM50147085 7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NAPHTHALENE-2-CARBOXIMIDAMIDE::7-methoxy-8-(1-(methylsulfonyl)-1H-pyrazol-4-yl)-2-naphthimidamide::8-(1-Methanesulfonyl-1H-pyrazol-4-yl)-7-methoxy-naphthalene-2-carboxamidine::CHEMBL321944::uPa_13

SMILES: COc1ccc2ccc(cc2c1-c1cnn(c1)S(C)(=O)=O)C(N)=N

InChI Key: InChIKey=KQUXAFOLFXHVQN-UHFFFAOYSA-N

Data: 9 KI

PDB links: 2 PDB IDs match 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 9 hits for monomerid = 50147085   
Target
(Institution)
LigandTarget
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))
BDBM50147085
PNG
(7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NA...)
Show SMILES COc1ccc2ccc(cc2c1-c1cnn(c1)S(C)(=O)=O)C(N)=N
Show InChI InChI=1S/C16H16N4O3S/c1-23-14-6-5-10-3-4-11(16(17)18)7-13(10)15(14)12-8-19-20(9-12)24(2,21)22/h3-9H,1-2H3,(H3,17,18)
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PDB
630 -8.45n/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))
BDBM50147085
PNG
(7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NA...)
Show SMILES COc1ccc2ccc(cc2c1-c1cnn(c1)S(C)(=O)=O)C(N)=N
Show InChI InChI=1S/C16H16N4O3S/c1-23-14-6-5-10-3-4-11(16(17)18)7-13(10)15(14)12-8-19-20(9-12)24(2,21)22/h3-9H,1-2H3,(H3,17,18)
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630n/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))
BDBM50147085
PNG
(7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NA...)
Show SMILES COc1ccc2ccc(cc2c1-c1cnn(c1)S(C)(=O)=O)C(N)=N
Show InChI InChI=1S/C16H16N4O3S/c1-23-14-6-5-10-3-4-11(16(17)18)7-13(10)15(14)12-8-19-20(9-12)24(2,21)22/h3-9H,1-2H3,(H3,17,18)
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D3R
630n/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))
BDBM50147085
PNG
(7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NA...)
Show SMILES COc1ccc2ccc(cc2c1-c1cnn(c1)S(C)(=O)=O)C(N)=N
Show InChI InChI=1S/C16H16N4O3S/c1-23-14-6-5-10-3-4-11(16(17)18)7-13(10)15(14)12-8-19-20(9-12)24(2,21)22/h3-9H,1-2H3,(H3,17,18)
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631n/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))
BDBM50147085
PNG
(7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NA...)
Show SMILES COc1ccc2ccc(cc2c1-c1cnn(c1)S(C)(=O)=O)C(N)=N
Show InChI InChI=1S/C16H16N4O3S/c1-23-14-6-5-10-3-4-11(16(17)18)7-13(10)15(14)12-8-19-20(9-12)24(2,21)22/h3-9H,1-2H3,(H3,17,18)
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2.70E+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
Prothrombin


(Homo sapiens (human))
BDBM50147085
PNG
(7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NA...)
Show SMILES COc1ccc2ccc(cc2c1-c1cnn(c1)S(C)(=O)=O)C(N)=N
Show InChI InChI=1S/C16H16N4O3S/c1-23-14-6-5-10-3-4-11(16(17)18)7-13(10)15(14)12-8-19-20(9-12)24(2,21)22/h3-9H,1-2H3,(H3,17,18)
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7.10E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin


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

More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM50147085
PNG
(7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NA...)
Show SMILES COc1ccc2ccc(cc2c1-c1cnn(c1)S(C)(=O)=O)C(N)=N
Show InChI InChI=1S/C16H16N4O3S/c1-23-14-6-5-10-3-4-11(16(17)18)7-13(10)15(14)12-8-19-20(9-12)24(2,21)22/h3-9H,1-2H3,(H3,17,18)
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8.50E+3n/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
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50147085
PNG
(7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NA...)
Show SMILES COc1ccc2ccc(cc2c1-c1cnn(c1)S(C)(=O)=O)C(N)=N
Show InChI InChI=1S/C16H16N4O3S/c1-23-14-6-5-10-3-4-11(16(17)18)7-13(10)15(14)12-8-19-20(9-12)24(2,21)22/h3-9H,1-2H3,(H3,17,18)
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1.40E+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
Tissue-type plasminogen activator


(Homo sapiens (human))
BDBM50147085
PNG
(7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NA...)
Show SMILES COc1ccc2ccc(cc2c1-c1cnn(c1)S(C)(=O)=O)C(N)=N
Show InChI InChI=1S/C16H16N4O3S/c1-23-14-6-5-10-3-4-11(16(17)18)7-13(10)15(14)12-8-19-20(9-12)24(2,21)22/h3-9H,1-2H3,(H3,17,18)
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>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