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Compile Data Set for Download or QSAR

Found 7 hits of ic50 for monomerid = 50140407   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X


(Homo sapiens (Human))
BDBM50140407
PNG
(2-(3-Fluoro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES CN(C)C(=N)c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2F)c(F)c1
Show InChI InChI=1S/C24H21F2N5O/c1-14-10-22(24(32)28-20-9-8-17(12-18(20)25)23(27)30(2)3)31(29-14)21-13-16-7-5-4-6-15(16)11-19(21)26/h4-13,27H,1-3H3,(H,28,32)
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n/an/a 22n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human coagulation factor X


Bioorg Med Chem Lett 14: 1229-34 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.054
BindingDB Entry DOI: 10.7270/Q2QN6664
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50140407
PNG
(2-(3-Fluoro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES CN(C)C(=N)c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2F)c(F)c1
Show InChI InChI=1S/C24H21F2N5O/c1-14-10-22(24(32)28-20-9-8-17(12-18(20)25)23(27)30(2)3)31(29-14)21-13-16-7-5-4-6-15(16)11-19(21)26/h4-13,27H,1-3H3,(H,28,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against thrombin


Bioorg Med Chem Lett 14: 1229-34 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.054
BindingDB Entry DOI: 10.7270/Q2QN6664
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50140407
PNG
(2-(3-Fluoro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES CN(C)C(=N)c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2F)c(F)c1
Show InChI InChI=1S/C24H21F2N5O/c1-14-10-22(24(32)28-20-9-8-17(12-18(20)25)23(27)30(2)3)31(29-14)21-13-16-7-5-4-6-15(16)11-19(21)26/h4-13,27H,1-3H3,(H,28,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against activated protein C was determined


Bioorg Med Chem Lett 14: 1229-34 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.054
BindingDB Entry DOI: 10.7270/Q2QN6664
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50140407
PNG
(2-(3-Fluoro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES CN(C)C(=N)c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2F)c(F)c1
Show InChI InChI=1S/C24H21F2N5O/c1-14-10-22(24(32)28-20-9-8-17(12-18(20)25)23(27)30(2)3)31(29-14)21-13-16-7-5-4-6-15(16)11-19(21)26/h4-13,27H,1-3H3,(H,28,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against trypsin


Bioorg Med Chem Lett 14: 1229-34 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.054
BindingDB Entry DOI: 10.7270/Q2QN6664
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50140407
PNG
(2-(3-Fluoro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES CN(C)C(=N)c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2F)c(F)c1
Show InChI InChI=1S/C24H21F2N5O/c1-14-10-22(24(32)28-20-9-8-17(12-18(20)25)23(27)30(2)3)31(29-14)21-13-16-7-5-4-6-15(16)11-19(21)26/h4-13,27H,1-3H3,(H,28,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against tissue type plasminogen activator


Bioorg Med Chem Lett 14: 1229-34 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.054
BindingDB Entry DOI: 10.7270/Q2QN6664
More data for this
Ligand-Target Pair
Kallikrein-1


(Homo sapiens (Human))
BDBM50140407
PNG
(2-(3-Fluoro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES CN(C)C(=N)c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2F)c(F)c1
Show InChI InChI=1S/C24H21F2N5O/c1-14-10-22(24(32)28-20-9-8-17(12-18(20)25)23(27)30(2)3)31(29-14)21-13-16-7-5-4-6-15(16)11-19(21)26/h4-13,27H,1-3H3,(H,28,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against kallikrein


Bioorg Med Chem Lett 14: 1229-34 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.054
BindingDB Entry DOI: 10.7270/Q2QN6664
More data for this
Ligand-Target Pair
Plasminogen


(Rattus norvegicus)
BDBM50140407
PNG
(2-(3-Fluoro-naphthalen-2-yl)-5-methyl-2H-pyrazole-...)
Show SMILES CN(C)C(=N)c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2F)c(F)c1
Show InChI InChI=1S/C24H21F2N5O/c1-14-10-22(24(32)28-20-9-8-17(12-18(20)25)23(27)30(2)3)31(29-14)21-13-16-7-5-4-6-15(16)11-19(21)26/h4-13,27H,1-3H3,(H,28,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against plasmin


Bioorg Med Chem Lett 14: 1229-34 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.054
BindingDB Entry DOI: 10.7270/Q2QN6664
More data for this
Ligand-Target Pair