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Compile Data Set for Download or QSAR

Found 87 hits with Last Name = 'bruggen' and Initial = 'j'   
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 1


(Homo sapiens (Human))
BDBM4810
PNG
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
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n/an/a 8n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4876
PNG
(1-(3,4-Dichloroanilino)-4-(4-pyridylmethyl)phthala...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1Cl
Show InChI InChI=1S/C20H14Cl2N4/c21-17-6-5-14(12-18(17)22)24-20-16-4-2-1-3-15(16)19(25-26-20)11-13-7-9-23-10-8-13/h1-10,12H,11H2,(H,24,26)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(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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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4871
PNG
(1-(3-Methylanilino)-4-(4-pyridylmethyl)phthalazine...)
Show SMILES Cc1cccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
Show InChI InChI=1S/C21H18N4/c1-15-5-4-6-17(13-15)23-21-19-8-3-2-7-18(19)20(24-25-21)14-16-9-11-22-12-10-16/h2-13H,14H2,1H3,(H,23,25)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4878
PNG
(1-(3,5-Dimethylanilino)-4-(4-pyridylmethyl)phthala...)
Show SMILES Cc1cc(C)cc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
Show InChI InChI=1S/C22H20N4/c1-15-11-16(2)13-18(12-15)24-22-20-6-4-3-5-19(20)21(25-26-22)14-17-7-9-23-10-8-17/h3-13H,14H2,1-2H3,(H,24,26)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4853
PNG
(1-(4-Chlorophenoxy)-4-(4-pyridylmethyl)phthalazine...)
Show SMILES Clc1ccc(Oc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C20H14ClN3O/c21-15-5-7-16(8-6-15)25-20-18-4-2-1-3-17(18)19(23-24-20)13-14-9-11-22-12-10-14/h1-12H,13H2
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4870
PNG
(1-Anilino-4-(4-pyridylmethyl)phthalazine Dihydroch...)
Show SMILES C(c1ccncc1)c1nnc(Nc2ccccc2)c2ccccc12
Show InChI InChI=1S/C20H16N4/c1-2-6-16(7-3-1)22-20-18-9-5-4-8-17(18)19(23-24-20)14-15-10-12-21-13-11-15/h1-13H,14H2,(H,22,24)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4854
PNG
(1-(4-Chlorophenylsulfanyl)-4-(4-pyridylmethyl)phth...)
Show SMILES Clc1ccc(Sc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C20H14ClN3S/c21-15-5-7-16(8-6-15)25-20-18-4-2-1-3-17(18)19(23-24-20)13-14-9-11-22-12-10-14/h1-12H,13H2
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4876
PNG
(1-(3,4-Dichloroanilino)-4-(4-pyridylmethyl)phthala...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1Cl
Show InChI InChI=1S/C20H14Cl2N4/c21-17-6-5-14(12-18(17)22)24-20-16-4-2-1-3-15(16)19(25-26-20)11-13-7-9-23-10-8-13/h1-10,12H,11H2,(H,24,26)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
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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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4875
PNG
(1-(3-Hydroxyanilino)-4-(4-pyridylmethyl)phthalazin...)
Show SMILES Oc1cccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
Show InChI InChI=1S/C20H16N4O/c25-16-5-3-4-15(13-16)22-20-18-7-2-1-6-17(18)19(23-24-20)12-14-8-10-21-11-9-14/h1-11,13,25H,12H2,(H,22,24)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4871
PNG
(1-(3-Methylanilino)-4-(4-pyridylmethyl)phthalazine...)
Show SMILES Cc1cccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
Show InChI InChI=1S/C21H18N4/c1-15-5-4-6-17(13-15)23-21-19-8-3-2-7-18(19)20(24-25-21)14-16-9-11-22-12-10-16/h2-13H,14H2,1H3,(H,23,25)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4867
PNG
(CGP79787 Analog 50 | CHEMBL75077 | N-(4-chlorophen...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ncccc23)cc1
Show InChI InChI=1S/C19H14ClN5/c20-14-3-5-15(6-4-14)23-19-16-2-1-9-22-18(16)17(24-25-19)12-13-7-10-21-11-8-13/h1-11H,12H2,(H,23,25)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4877
PNG
(1-(3-Methoxy-4-chloroanilino)-4-(4-pyridylmethyl)-...)
Show SMILES COc1cc(Nc2nnc(Cc3ccncc3)c3ccccc23)ccc1Cl
Show InChI InChI=1S/C21H17ClN4O/c1-27-20-13-15(6-7-18(20)22)24-21-17-5-3-2-4-16(17)19(25-26-21)12-14-8-10-23-11-9-14/h2-11,13H,12H2,1H3,(H,24,26)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4878
PNG
(1-(3,5-Dimethylanilino)-4-(4-pyridylmethyl)phthala...)
Show SMILES Cc1cc(C)cc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
Show InChI InChI=1S/C22H20N4/c1-15-11-16(2)13-18(12-15)24-22-20-6-4-3-5-19(20)21(25-26-22)14-17-7-9-23-10-8-17/h3-13H,14H2,1-2H3,(H,24,26)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4873
PNG
(1-(4-Biphenylamino)-4-(4-pyridylmethyl)phthalazine...)
Show SMILES C(c1ccncc1)c1nnc(Nc2ccc(cc2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H20N4/c1-2-6-20(7-3-1)21-10-12-22(13-11-21)28-26-24-9-5-4-8-23(24)25(29-30-26)18-19-14-16-27-17-15-19/h1-17H,18H2,(H,28,30)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4881
PNG
(1-(3-Trifluormethyl-5-fluoroanilino)-4-(4-pyridylm...)
Show SMILES Fc1cc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc(c1)C(F)(F)F
Show InChI InChI=1S/C21H14F4N4/c22-15-10-14(21(23,24)25)11-16(12-15)27-20-18-4-2-1-3-17(18)19(28-29-20)9-13-5-7-26-8-6-13/h1-8,10-12H,9H2,(H,27,29)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4861
PNG
(CGP79787 Analog 52 | N-(4-chlorophenyl)-4-[1-(pyri...)
Show SMILES CC(c1ccncc1)c1nnc(Nc2ccc(Cl)cc2)c2ccccc12 |w:1.0|
Show InChI InChI=1S/C21H17ClN4/c1-14(15-10-12-23-13-11-15)20-18-4-2-3-5-19(18)21(26-25-20)24-17-8-6-16(22)7-9-17/h2-14H,1H3,(H,24,26)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4872
PNG
(1-(4-tert-Butylanilino)-4-(4-pyridylmethyl)phthala...)
Show SMILES CC(C)(C)c1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C24H24N4/c1-24(2,3)18-8-10-19(11-9-18)26-23-21-7-5-4-6-20(21)22(27-28-23)16-17-12-14-25-15-13-17/h4-15H,16H2,1-3H3,(H,26,28)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4873
PNG
(1-(4-Biphenylamino)-4-(4-pyridylmethyl)phthalazine...)
Show SMILES C(c1ccncc1)c1nnc(Nc2ccc(cc2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H20N4/c1-2-6-20(7-3-1)21-10-12-22(13-11-21)28-26-24-9-5-4-8-23(24)25(29-30-26)18-19-14-16-27-17-15-19/h1-17H,18H2,(H,28,30)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4866
PNG
(CGP79787 Analog 49 | N-(4-chlorophenyl)-4-(pyridin...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3cnccc23)cc1
Show InChI InChI=1S/C19H14ClN5/c20-14-1-3-15(4-2-14)23-19-16-7-10-22-12-17(16)18(24-25-19)11-13-5-8-21-9-6-13/h1-10,12H,11H2,(H,23,25)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4874
PNG
(1-(3-Methoxyanilino)-4-(4-pyridylmethyl)phthalazin...)
Show SMILES COc1cccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
Show InChI InChI=1S/C21H18N4O/c1-26-17-6-4-5-16(14-17)23-21-19-8-3-2-7-18(19)20(24-25-21)13-15-9-11-22-12-10-15/h2-12,14H,13H2,1H3,(H,23,25)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4872
PNG
(1-(4-tert-Butylanilino)-4-(4-pyridylmethyl)phthala...)
Show SMILES CC(C)(C)c1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C24H24N4/c1-24(2,3)18-8-10-19(11-9-18)26-23-21-7-5-4-6-20(21)22(27-28-23)16-17-12-14-25-15-13-17/h4-15H,16H2,1-3H3,(H,26,28)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4858
PNG
(1-(4-Chloroanilino)-4-[2-methylpyridin-4-ylmethyl]...)
Show SMILES Cc1cc(Cc2nnc(Nc3ccc(Cl)cc3)c3ccccc23)ccn1
Show InChI InChI=1S/C21H17ClN4/c1-14-12-15(10-11-23-14)13-20-18-4-2-3-5-19(18)21(26-25-20)24-17-8-6-16(22)7-9-17/h2-12H,13H2,1H3,(H,24,26)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4867
PNG
(CGP79787 Analog 50 | CHEMBL75077 | N-(4-chlorophen...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ncccc23)cc1
Show InChI InChI=1S/C19H14ClN5/c20-14-3-5-15(6-4-14)23-19-16-2-1-9-22-18(16)17(24-25-19)12-13-7-10-21-11-8-13/h1-11H,12H2,(H,23,25)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4877
PNG
(1-(3-Methoxy-4-chloroanilino)-4-(4-pyridylmethyl)-...)
Show SMILES COc1cc(Nc2nnc(Cc3ccncc3)c3ccccc23)ccc1Cl
Show InChI InChI=1S/C21H17ClN4O/c1-27-20-13-15(6-7-18(20)22)24-21-17-5-3-2-4-16(17)19(25-26-21)12-14-8-10-23-11-9-14/h2-11,13H,12H2,1H3,(H,24,26)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4869
PNG
(3-(4-Chloroanilino)-4,5-dimethyl-6-(4-pyridylmethy...)
Show SMILES Cc1c(C)c(Nc2ccc(Cl)cc2)nnc1Cc1ccncc1
Show InChI InChI=1S/C18H17ClN4/c1-12-13(2)18(21-16-5-3-15(19)4-6-16)23-22-17(12)11-14-7-9-20-10-8-14/h3-10H,11H2,1-2H3,(H,21,23)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4879
PNG
(1-(3-Trifluormethyl-4-chloroanilino)-4-(4-pyridylm...)
Show SMILES FC(F)(F)c1cc(Nc2nnc(Cc3ccncc3)c3ccccc23)ccc1Cl
Show InChI InChI=1S/C21H14ClF3N4/c22-18-6-5-14(12-17(18)21(23,24)25)27-20-16-4-2-1-3-15(16)19(28-29-20)11-13-7-9-26-10-8-13/h1-10,12H,11H2,(H,27,29)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4874
PNG
(1-(3-Methoxyanilino)-4-(4-pyridylmethyl)phthalazin...)
Show SMILES COc1cccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
Show InChI InChI=1S/C21H18N4O/c1-26-17-6-4-5-16(14-17)23-21-19-8-3-2-7-18(19)20(24-25-21)13-15-9-11-22-12-10-15/h2-12,14H,13H2,1H3,(H,23,25)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4881
PNG
(1-(3-Trifluormethyl-5-fluoroanilino)-4-(4-pyridylm...)
Show SMILES Fc1cc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc(c1)C(F)(F)F
Show InChI InChI=1S/C21H14F4N4/c22-15-10-14(21(23,24)25)11-16(12-15)27-20-18-4-2-1-3-17(18)19(28-29-20)9-13-5-7-26-8-6-13/h1-8,10-12H,9H2,(H,27,29)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4880
PNG
(1-(3-Trifluormethyl-5-bromoanilino)-4-(4-pyridylme...)
Show SMILES FC(F)(F)c1cc(Br)cc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
Show InChI InChI=1S/C21H14BrF3N4/c22-15-10-14(21(23,24)25)11-16(12-15)27-20-18-4-2-1-3-17(18)19(28-29-20)9-13-5-7-26-8-6-13/h1-8,10-12H,9H2,(H,27,29)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4857
PNG
(1-(4-Chloroanilino)-4-(4-pyrimidylmethyl)phthalazi...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncn3)c3ccccc23)cc1
Show InChI InChI=1S/C19H14ClN5/c20-13-5-7-14(8-6-13)23-19-17-4-2-1-3-16(17)18(24-25-19)11-15-9-10-21-12-22-15/h1-10,12H,11H2,(H,23,25)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4861
PNG
(CGP79787 Analog 52 | N-(4-chlorophenyl)-4-[1-(pyri...)
Show SMILES CC(c1ccncc1)c1nnc(Nc2ccc(Cl)cc2)c2ccccc12 |w:1.0|
Show InChI InChI=1S/C21H17ClN4/c1-14(15-10-12-23-13-11-15)20-18-4-2-3-5-19(18)21(26-25-20)24-17-8-6-16(22)7-9-17/h2-14H,1H3,(H,24,26)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4865
PNG
(4-(4-Chloroanilino)-1-(4-pyridylmethyl)pyrido[3,4-...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccncc23)cc1
Show InChI InChI=1S/C19H14ClN5/c20-14-1-3-15(4-2-14)23-19-17-12-22-10-7-16(17)18(24-25-19)11-13-5-8-21-9-6-13/h1-10,12H,11H2,(H,23,25)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4876
PNG
(1-(3,4-Dichloroanilino)-4-(4-pyridylmethyl)phthala...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1Cl
Show InChI InChI=1S/C20H14Cl2N4/c21-17-6-5-14(12-18(17)22)24-20-16-4-2-1-3-15(16)19(25-26-20)11-13-7-9-23-10-8-13/h1-10,12H,11H2,(H,24,26)
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Novartis Pharmaceuticals



Assay Description
The autophosphorylation assay was performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified ov...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4879
PNG
(1-(3-Trifluormethyl-4-chloroanilino)-4-(4-pyridylm...)
Show SMILES FC(F)(F)c1cc(Nc2nnc(Cc3ccncc3)c3ccccc23)ccc1Cl
Show InChI InChI=1S/C21H14ClF3N4/c22-18-6-5-14(12-17(18)21(23,24)25)27-20-16-4-2-1-3-15(16)19(28-29-20)11-13-7-9-26-10-8-13/h1-10,12H,11H2,(H,27,29)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4880
PNG
(1-(3-Trifluormethyl-5-bromoanilino)-4-(4-pyridylme...)
Show SMILES FC(F)(F)c1cc(Br)cc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
Show InChI InChI=1S/C21H14BrF3N4/c22-15-10-14(21(23,24)25)11-16(12-15)27-20-18-4-2-1-3-17(18)19(28-29-20)9-13-5-7-26-8-6-13/h1-8,10-12H,9H2,(H,27,29)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4866
PNG
(CGP79787 Analog 49 | N-(4-chlorophenyl)-4-(pyridin...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3cnccc23)cc1
Show InChI InChI=1S/C19H14ClN5/c20-14-1-3-15(4-2-14)23-19-16-7-10-22-12-17(16)18(24-25-19)11-13-5-8-21-9-6-13/h1-10,12H,11H2,(H,23,25)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4858
PNG
(1-(4-Chloroanilino)-4-[2-methylpyridin-4-ylmethyl]...)
Show SMILES Cc1cc(Cc2nnc(Nc3ccc(Cl)cc3)c3ccccc23)ccn1
Show InChI InChI=1S/C21H17ClN4/c1-14-12-15(10-11-23-14)13-20-18-4-2-3-5-19(18)21(26-25-20)24-17-8-6-16(22)7-9-17/h2-12H,13H2,1H3,(H,24,26)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4862
PNG
(1-(4-Chloroanilino)-4-(4-pyridylmethyl)-7-aminopht...)
Show SMILES Nc1ccc2c(Cc3ccncc3)nnc(Nc3ccc(Cl)cc3)c2c1
Show InChI InChI=1S/C20H16ClN5/c21-14-1-4-16(5-2-14)24-20-18-12-15(22)3-6-17(18)19(25-26-20)11-13-7-9-23-10-8-13/h1-10,12H,11,22H2,(H,24,26)
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n/an/a 650n/an/an/an/a7.522



Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4875
PNG
(1-(3-Hydroxyanilino)-4-(4-pyridylmethyl)phthalazin...)
Show SMILES Oc1cccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
Show InChI InChI=1S/C20H16N4O/c25-16-5-3-4-15(13-16)22-20-18-7-2-1-6-17(18)19(23-24-20)12-14-8-10-21-11-9-14/h1-11,13,25H,12H2,(H,22,24)
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n/an/a 670n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM4876
PNG
(1-(3,4-Dichloroanilino)-4-(4-pyridylmethyl)phthala...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1Cl
Show InChI InChI=1S/C20H14Cl2N4/c21-17-6-5-14(12-18(17)22)24-20-16-4-2-1-3-15(16)19(25-26-20)11-13-7-9-23-10-8-13/h1-10,12H,11H2,(H,24,26)
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n/an/a 700n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4857
PNG
(1-(4-Chloroanilino)-4-(4-pyrimidylmethyl)phthalazi...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncn3)c3ccccc23)cc1
Show InChI InChI=1S/C19H14ClN5/c20-13-5-7-14(8-6-13)23-19-17-4-2-1-3-16(17)18(24-25-19)11-15-9-10-21-12-22-15/h1-10,12H,11H2,(H,23,25)
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n/an/a 760n/an/an/an/a7.522



Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4878
PNG
(1-(3,5-Dimethylanilino)-4-(4-pyridylmethyl)phthala...)
Show SMILES Cc1cc(C)cc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
Show InChI InChI=1S/C22H20N4/c1-15-11-16(2)13-18(12-15)24-22-20-6-4-3-5-19(20)21(25-26-22)14-17-7-9-23-10-8-17/h3-13H,14H2,1-2H3,(H,24,26)
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n/an/a 800n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The autophosphorylation assay was performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified ov...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4874
PNG
(1-(3-Methoxyanilino)-4-(4-pyridylmethyl)phthalazin...)
Show SMILES COc1cccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
Show InChI InChI=1S/C21H18N4O/c1-26-17-6-4-5-16(14-17)23-21-19-8-3-2-7-18(19)20(24-25-21)13-15-9-11-22-12-10-15/h2-12,14H,13H2,1H3,(H,23,25)
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n/an/a 800n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The autophosphorylation assay was performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified ov...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4869
PNG
(3-(4-Chloroanilino)-4,5-dimethyl-6-(4-pyridylmethy...)
Show SMILES Cc1c(C)c(Nc2ccc(Cl)cc2)nnc1Cc1ccncc1
Show InChI InChI=1S/C18H17ClN4/c1-12-13(2)18(21-16-5-3-15(19)4-6-16)23-22-17(12)11-14-7-9-20-10-8-14/h3-10H,11H2,1-2H3,(H,21,23)
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n/an/a 870n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4870
PNG
(1-Anilino-4-(4-pyridylmethyl)phthalazine Dihydroch...)
Show SMILES C(c1ccncc1)c1nnc(Nc2ccccc2)c2ccccc12
Show InChI InChI=1S/C20H16N4/c1-2-6-16(7-3-1)22-20-18-9-5-4-8-17(18)19(23-24-20)14-15-10-12-21-13-11-15/h1-13H,14H2,(H,22,24)
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n/an/a 950n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM4872
PNG
(1-(4-tert-Butylanilino)-4-(4-pyridylmethyl)phthala...)
Show SMILES CC(C)(C)c1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C24H24N4/c1-24(2,3)18-8-10-19(11-9-18)26-23-21-7-5-4-6-20(21)22(27-28-23)16-17-12-14-25-15-13-17/h4-15H,16H2,1-3H3,(H,26,28)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4871
PNG
(1-(3-Methylanilino)-4-(4-pyridylmethyl)phthalazine...)
Show SMILES Cc1cccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
Show InChI InChI=1S/C21H18N4/c1-15-5-4-6-17(13-15)23-21-19-8-3-2-7-18(19)20(24-25-21)14-16-9-11-22-12-10-16/h2-13H,14H2,1H3,(H,23,25)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The autophosphorylation assay was performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified ov...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4854
PNG
(1-(4-Chlorophenylsulfanyl)-4-(4-pyridylmethyl)phth...)
Show SMILES Clc1ccc(Sc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C20H14ClN3S/c21-15-5-7-16(8-6-15)25-20-18-4-2-1-3-17(18)19(23-24-20)13-14-9-11-22-12-10-14/h1-12H,13H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
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