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PubMed code 12941313

Compile data set for download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50132151
PNG
(CHEMBL101683 | N-(4-Chloro-phenyl)-2-[(pyridin-4-y...)
Show SMILES Clc1ccc(NC(=O)c2ccccc2NCc2ccncc2)cc1
Show InChI InChI=1S/C19H16ClN3O/c20-15-5-7-16(8-6-15)23-19(24)17-3-1-2-4-18(17)22-13-14-9-11-21-12-10-14/h1-12,22H,13H2,(H,23,24)
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n/an/a 20n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2

Bioorg Med Chem Lett 13: 2967-71 (2003)


BindingDB Entry DOI: 10.7270/Q2Q81CG3
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM4851
PNG
((4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
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n/an/a 37n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2

Bioorg Med Chem Lett 13: 2967-71 (2003)


BindingDB Entry DOI: 10.7270/Q2Q81CG3
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))		BDBM4851
PNG
((4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
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n/an/a 77n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of vascular endothelial growth factor receptor 1

Bioorg Med Chem Lett 13: 2967-71 (2003)


BindingDB Entry DOI: 10.7270/Q2Q81CG3
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))		BDBM50132151
PNG
(CHEMBL101683 | N-(4-Chloro-phenyl)-2-[(pyridin-4-y...)
Show SMILES Clc1ccc(NC(=O)c2ccccc2NCc2ccncc2)cc1
Show InChI InChI=1S/C19H16ClN3O/c20-15-5-7-16(8-6-15)23-19(24)17-3-1-2-4-18(17)22-13-14-9-11-21-12-10-14/h1-12,22H,13H2,(H,23,24)
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n/an/a 180n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of vascular endothelial growth factor receptor 1

Bioorg Med Chem Lett 13: 2967-71 (2003)


BindingDB Entry DOI: 10.7270/Q2Q81CG3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM50132151
PNG
(CHEMBL101683 | N-(4-Chloro-phenyl)-2-[(pyridin-4-y...)
Show SMILES Clc1ccc(NC(=O)c2ccccc2NCc2ccncc2)cc1
Show InChI InChI=1S/C19H16ClN3O/c20-15-5-7-16(8-6-15)23-19(24)17-3-1-2-4-18(17)22-13-14-9-11-21-12-10-14/h1-12,22H,13H2,(H,23,24)
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n/an/a 240n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of Proto-oncogene tyrosine-protein kinase Kit

Bioorg Med Chem Lett 13: 2967-71 (2003)


BindingDB Entry DOI: 10.7270/Q2Q81CG3
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))		BDBM4851
PNG
((4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
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n/an/a 730n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of Proto-oncogene tyrosine-protein kinase Kit

Bioorg Med Chem Lett 13: 2967-71 (2003)


BindingDB Entry DOI: 10.7270/Q2Q81CG3
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50132152
PNG
(2-(4-Fluoro-benzylamino)-N-(2-fluoro-phenyl)-benza...)
Show SMILES Fc1ccc(CNc2ccccc2C(=O)Nc2ccccc2F)cc1
Show InChI InChI=1S/C20H16F2N2O/c21-15-11-9-14(10-12-15)13-23-18-7-3-1-5-16(18)20(25)24-19-8-4-2-6-17(19)22/h1-12,23H,13H2,(H,24,25)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2

Bioorg Med Chem Lett 13: 2967-71 (2003)


BindingDB Entry DOI: 10.7270/Q2Q81CG3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50132151
PNG
(CHEMBL101683 | N-(4-Chloro-phenyl)-2-[(pyridin-4-y...)
Show SMILES Clc1ccc(NC(=O)c2ccccc2NCc2ccncc2)cc1
Show InChI InChI=1S/C19H16ClN3O/c20-15-5-7-16(8-6-15)23-19(24)17-3-1-2-4-18(17)22-13-14-9-11-21-12-10-14/h1-12,22H,13H2,(H,23,24)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of c-Src tyrosine kinase

Bioorg Med Chem Lett 13: 2967-71 (2003)


BindingDB Entry DOI: 10.7270/Q2Q81CG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50132151
PNG
(CHEMBL101683 | N-(4-Chloro-phenyl)-2-[(pyridin-4-y...)
Show SMILES Clc1ccc(NC(=O)c2ccccc2NCc2ccncc2)cc1
Show InChI InChI=1S/C19H16ClN3O/c20-15-5-7-16(8-6-15)23-19(24)17-3-1-2-4-18(17)22-13-14-9-11-21-12-10-14/h1-12,22H,13H2,(H,23,24)
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n/an/a 7.30E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor

Bioorg Med Chem Lett 13: 2967-71 (2003)


BindingDB Entry DOI: 10.7270/Q2Q81CG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM4851
PNG
((4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor

Bioorg Med Chem Lett 13: 2967-71 (2003)


BindingDB Entry DOI: 10.7270/Q2Q81CG3
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma


(Homo sapiens (Human))		BDBM4851
PNG
((4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase A

Bioorg Med Chem Lett 13: 2967-71 (2003)


BindingDB Entry DOI: 10.7270/Q2Q81CG3
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma


(Homo sapiens (Human))		BDBM50132151
PNG
(CHEMBL101683 | N-(4-Chloro-phenyl)-2-[(pyridin-4-y...)
Show SMILES Clc1ccc(NC(=O)c2ccccc2NCc2ccncc2)cc1
Show InChI InChI=1S/C19H16ClN3O/c20-15-5-7-16(8-6-15)23-19(24)17-3-1-2-4-18(17)22-13-14-9-11-21-12-10-14/h1-12,22H,13H2,(H,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase A

Bioorg Med Chem Lett 13: 2967-71 (2003)


BindingDB Entry DOI: 10.7270/Q2Q81CG3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM50132151
PNG
(CHEMBL101683 | N-(4-Chloro-phenyl)-2-[(pyridin-4-y...)
Show SMILES Clc1ccc(NC(=O)c2ccccc2NCc2ccncc2)cc1
Show InChI InChI=1S/C19H16ClN3O/c20-15-5-7-16(8-6-15)23-19(24)17-3-1-2-4-18(17)22-13-14-9-11-21-12-10-14/h1-12,22H,13H2,(H,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 1

Bioorg Med Chem Lett 13: 2967-71 (2003)


BindingDB Entry DOI: 10.7270/Q2Q81CG3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM4851
PNG
((4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of c-Src tyrosine kinase

Bioorg Med Chem Lett 13: 2967-71 (2003)


BindingDB Entry DOI: 10.7270/Q2Q81CG3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM4851
PNG
((4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 1

Bioorg Med Chem Lett 13: 2967-71 (2003)


BindingDB Entry DOI: 10.7270/Q2Q81CG3
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM4851
PNG
((4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of Insulin-like growth factor I receptor

Bioorg Med Chem Lett 13: 2967-71 (2003)


BindingDB Entry DOI: 10.7270/Q2Q81CG3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM50132151
PNG
(CHEMBL101683 | N-(4-Chloro-phenyl)-2-[(pyridin-4-y...)
Show SMILES Clc1ccc(NC(=O)c2ccccc2NCc2ccncc2)cc1
Show InChI InChI=1S/C19H16ClN3O/c20-15-5-7-16(8-6-15)23-19(24)17-3-1-2-4-18(17)22-13-14-9-11-21-12-10-14/h1-12,22H,13H2,(H,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of Met proto-oncogene tyrosine kinase

Bioorg Med Chem Lett 13: 2967-71 (2003)


BindingDB Entry DOI: 10.7270/Q2Q81CG3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))		BDBM4851
PNG
((4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of Met proto-oncogene tyrosine kinase

Bioorg Med Chem Lett 13: 2967-71 (2003)


BindingDB Entry DOI: 10.7270/Q2Q81CG3
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))		BDBM50132151
PNG
(CHEMBL101683 | N-(4-Chloro-phenyl)-2-[(pyridin-4-y...)
Show SMILES Clc1ccc(NC(=O)c2ccccc2NCc2ccncc2)cc1
Show InChI InChI=1S/C19H16ClN3O/c20-15-5-7-16(8-6-15)23-19(24)17-3-1-2-4-18(17)22-13-14-9-11-21-12-10-14/h1-12,22H,13H2,(H,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of Insulin-like growth factor I receptor

Bioorg Med Chem Lett 13: 2967-71 (2003)


BindingDB Entry DOI: 10.7270/Q2Q81CG3
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))		BDBM50132152
PNG
(2-(4-Fluoro-benzylamino)-N-(2-fluoro-phenyl)-benza...)
Show SMILES Fc1ccc(CNc2ccccc2C(=O)Nc2ccccc2F)cc1
Show InChI InChI=1S/C20H16F2N2O/c21-15-11-9-14(10-12-15)13-23-18-7-3-1-5-16(18)20(25)24-19-8-4-2-6-17(19)22/h1-12,23H,13H2,(H,24,25)
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n/an/a 2.30E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of vascular endothelial growth factor receptor 1

Bioorg Med Chem Lett 13: 2967-71 (2003)


BindingDB Entry DOI: 10.7270/Q2Q81CG3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%