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PubMed code 15267243

Compile data set for download or QSAR
Found 18 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))		BDBM50150771
PNG
(5-(5,6-Dimethyl-pyrrolo[2,1-f][1,2,4]triazin-4-yla...)
Show SMILES Cc1cn2ncnc(Nc3ccc(C)c(O)c3)c2c1C
Show InChI InChI=1S/C15H16N4O/c1-9-4-5-12(6-13(9)20)18-15-14-11(3)10(2)7-19(14)17-8-16-15/h4-8,20H,1-3H3,(H,16,17,18)
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Vascular endothelial growth factor receptor 2

J Med Chem 47: 4054-9 (2004)


Article DOI: 10.1021/jm049892u
BindingDB Entry DOI: 10.7270/Q2XP74DK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50150769
PNG
(2-Methyl-5-(5-methyl-pyrrolo[2,1-f][1,2,4]triazin-...)
Show SMILES Cc1ccn2ncnc(Nc3ccc(C)c(O)c3)c12
Show InChI InChI=1S/C14H14N4O/c1-9-3-4-11(7-12(9)19)17-14-13-10(2)5-6-18(13)16-8-15-14/h3-8,19H,1-2H3,(H,15,16,17)
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n/an/a 60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Vascular endothelial growth factor receptor 2

J Med Chem 47: 4054-9 (2004)


Article DOI: 10.1021/jm049892u
BindingDB Entry DOI: 10.7270/Q2XP74DK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50150776
PNG
((3-Chloro-4-fluoro-phenyl)-(5-methyl-pyrrolo[2,1-f...)
Show SMILES Cc1ccn2ncnc(Nc3ccc(F)c(Cl)c3)c12
Show InChI InChI=1S/C13H10ClFN4/c1-8-4-5-19-12(8)13(16-7-17-19)18-9-2-3-11(15)10(14)6-9/h2-7H,1H3,(H,16,17,18)
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n/an/a 100n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Epidermal growth factor receptor

J Med Chem 47: 4054-9 (2004)


Article DOI: 10.1021/jm049892u
BindingDB Entry DOI: 10.7270/Q2XP74DK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50150772
PNG
((3-Chloro-4-fluoro-phenyl)-pyrrolo[2,1-f][1,2,4]tr...)
Show SMILES Fc1ccc(Nc2ncnn3cccc23)cc1Cl
Show InChI InChI=1S/C12H8ClFN4/c13-9-6-8(3-4-10(9)14)17-12-11-2-1-5-18(11)16-7-15-12/h1-7H,(H,15,16,17)
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n/an/a 110n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Epidermal growth factor receptor

J Med Chem 47: 4054-9 (2004)


Article DOI: 10.1021/jm049892u
BindingDB Entry DOI: 10.7270/Q2XP74DK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50150773
PNG
((3-Chloro-4-fluoro-phenyl)-(6-methyl-pyrrolo[2,1-f...)
Show SMILES Cc1cc2c(Nc3ccc(F)c(Cl)c3)ncnn2c1
Show InChI InChI=1S/C13H10ClFN4/c1-8-4-12-13(16-7-17-19(12)6-8)18-9-2-3-11(15)10(14)5-9/h2-7H,1H3,(H,16,17,18)
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n/an/a 150n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Epidermal growth factor receptor

J Med Chem 47: 4054-9 (2004)


Article DOI: 10.1021/jm049892u
BindingDB Entry DOI: 10.7270/Q2XP74DK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50150771
PNG
(5-(5,6-Dimethyl-pyrrolo[2,1-f][1,2,4]triazin-4-yla...)
Show SMILES Cc1cn2ncnc(Nc3ccc(C)c(O)c3)c2c1C
Show InChI InChI=1S/C15H16N4O/c1-9-4-5-12(6-13(9)20)18-15-14-11(3)10(2)7-19(14)17-8-16-15/h4-8,20H,1-3H3,(H,16,17,18)
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n/an/a 200n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Epidermal growth factor receptor

J Med Chem 47: 4054-9 (2004)


Article DOI: 10.1021/jm049892u
BindingDB Entry DOI: 10.7270/Q2XP74DK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50150769
PNG
(2-Methyl-5-(5-methyl-pyrrolo[2,1-f][1,2,4]triazin-...)
Show SMILES Cc1ccn2ncnc(Nc3ccc(C)c(O)c3)c12
Show InChI InChI=1S/C14H14N4O/c1-9-3-4-11(7-12(9)19)17-14-13-10(2)5-6-18(13)16-8-15-14/h3-8,19H,1-2H3,(H,15,16,17)
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n/an/a 340n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Epidermal growth factor receptor

J Med Chem 47: 4054-9 (2004)


Article DOI: 10.1021/jm049892u
BindingDB Entry DOI: 10.7270/Q2XP74DK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50150768
PNG
(2-Methyl-5-(6-methyl-pyrrolo[2,1-f][1,2,4]triazin-...)
Show SMILES Cc1cc2c(Nc3ccc(C)c(O)c3)ncnn2c1
Show InChI InChI=1S/C14H14N4O/c1-9-5-12-14(15-8-16-18(12)7-9)17-11-4-3-10(2)13(19)6-11/h3-8,19H,1-2H3,(H,15,16,17)
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n/an/a 400n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Vascular endothelial growth factor receptor 2

J Med Chem 47: 4054-9 (2004)


Article DOI: 10.1021/jm049892u
BindingDB Entry DOI: 10.7270/Q2XP74DK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50150770
PNG
(2-Methyl-5-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino...)
Show SMILES Cc1ccc(Nc2ncnn3cccc23)cc1O
Show InChI InChI=1S/C13H12N4O/c1-9-4-5-10(7-12(9)18)16-13-11-3-2-6-17(11)15-8-14-13/h2-8,18H,1H3,(H,14,15,16)
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n/an/a 510n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Epidermal growth factor receptor

J Med Chem 47: 4054-9 (2004)


Article DOI: 10.1021/jm049892u
BindingDB Entry DOI: 10.7270/Q2XP74DK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50150768
PNG
(2-Methyl-5-(6-methyl-pyrrolo[2,1-f][1,2,4]triazin-...)
Show SMILES Cc1cc2c(Nc3ccc(C)c(O)c3)ncnn2c1
Show InChI InChI=1S/C14H14N4O/c1-9-5-12-14(15-8-16-18(12)7-9)17-11-4-3-10(2)13(19)6-11/h3-8,19H,1-2H3,(H,15,16,17)
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n/an/a 650n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Epidermal growth factor receptor

J Med Chem 47: 4054-9 (2004)


Article DOI: 10.1021/jm049892u
BindingDB Entry DOI: 10.7270/Q2XP74DK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50150770
PNG
(2-Methyl-5-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino...)
Show SMILES Cc1ccc(Nc2ncnn3cccc23)cc1O
Show InChI InChI=1S/C13H12N4O/c1-9-4-5-10(7-12(9)18)16-13-11-3-2-6-17(11)15-8-14-13/h2-8,18H,1H3,(H,14,15,16)
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n/an/a 1.44E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Vascular endothelial growth factor receptor 2

J Med Chem 47: 4054-9 (2004)


Article DOI: 10.1021/jm049892u
BindingDB Entry DOI: 10.7270/Q2XP74DK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50150775
PNG
((3-Chloro-4-fluoro-phenyl)-(7-methyl-pyrrolo[2,1-f...)
Show SMILES Cc1ccc2c(Nc3ccc(F)c(Cl)c3)ncnn12
Show InChI InChI=1S/C13H10ClFN4/c1-8-2-5-12-13(16-7-17-19(8)12)18-9-3-4-11(15)10(14)6-9/h2-7H,1H3,(H,16,17,18)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Vascular endothelial growth factor receptor 2

J Med Chem 47: 4054-9 (2004)


Article DOI: 10.1021/jm049892u
BindingDB Entry DOI: 10.7270/Q2XP74DK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50150773
PNG
((3-Chloro-4-fluoro-phenyl)-(6-methyl-pyrrolo[2,1-f...)
Show SMILES Cc1cc2c(Nc3ccc(F)c(Cl)c3)ncnn2c1
Show InChI InChI=1S/C13H10ClFN4/c1-8-4-12-13(16-7-17-19(12)6-8)18-9-2-3-11(15)10(14)5-9/h2-7H,1H3,(H,16,17,18)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Vascular endothelial growth factor receptor 2

J Med Chem 47: 4054-9 (2004)


Article DOI: 10.1021/jm049892u
BindingDB Entry DOI: 10.7270/Q2XP74DK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50150775
PNG
((3-Chloro-4-fluoro-phenyl)-(7-methyl-pyrrolo[2,1-f...)
Show SMILES Cc1ccc2c(Nc3ccc(F)c(Cl)c3)ncnn12
Show InChI InChI=1S/C13H10ClFN4/c1-8-2-5-12-13(16-7-17-19(8)12)18-9-3-4-11(15)10(14)6-9/h2-7H,1H3,(H,16,17,18)
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n/an/a 3.25E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Epidermal growth factor receptor

J Med Chem 47: 4054-9 (2004)


Article DOI: 10.1021/jm049892u
BindingDB Entry DOI: 10.7270/Q2XP74DK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50150774
PNG
(2-Methyl-5-(7-methyl-pyrrolo[2,1-f][1,2,4]triazin-...)
Show SMILES Cc1ccc2c(Nc3ccc(C)c(O)c3)ncnn12
Show InChI InChI=1S/C14H14N4O/c1-9-3-5-11(7-13(9)19)17-14-12-6-4-10(2)18(12)16-8-15-14/h3-8,19H,1-2H3,(H,15,16,17)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Vascular endothelial growth factor receptor 2

J Med Chem 47: 4054-9 (2004)


Article DOI: 10.1021/jm049892u
BindingDB Entry DOI: 10.7270/Q2XP74DK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50150776
PNG
((3-Chloro-4-fluoro-phenyl)-(5-methyl-pyrrolo[2,1-f...)
Show SMILES Cc1ccn2ncnc(Nc3ccc(F)c(Cl)c3)c12
Show InChI InChI=1S/C13H10ClFN4/c1-8-4-5-19-12(8)13(16-7-17-19)18-9-2-3-11(15)10(14)6-9/h2-7H,1H3,(H,16,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Vascular endothelial growth factor receptor 2

J Med Chem 47: 4054-9 (2004)


Article DOI: 10.1021/jm049892u
BindingDB Entry DOI: 10.7270/Q2XP74DK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50150772
PNG
((3-Chloro-4-fluoro-phenyl)-pyrrolo[2,1-f][1,2,4]tr...)
Show SMILES Fc1ccc(Nc2ncnn3cccc23)cc1Cl
Show InChI InChI=1S/C12H8ClFN4/c13-9-6-8(3-4-10(9)14)17-12-11-2-1-5-18(11)16-7-15-12/h1-7H,(H,15,16,17)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Vascular endothelial growth factor receptor 2

J Med Chem 47: 4054-9 (2004)


Article DOI: 10.1021/jm049892u
BindingDB Entry DOI: 10.7270/Q2XP74DK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM50150774
PNG
(2-Methyl-5-(7-methyl-pyrrolo[2,1-f][1,2,4]triazin-...)
Show SMILES Cc1ccc2c(Nc3ccc(C)c(O)c3)ncnn12
Show InChI InChI=1S/C14H14N4O/c1-9-3-5-11(7-13(9)19)17-14-12-6-4-10(2)18(12)16-8-15-14/h3-8,19H,1-2H3,(H,15,16,17)
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n/an/a 2.94E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Epidermal growth factor receptor

J Med Chem 47: 4054-9 (2004)


Article DOI: 10.1021/jm049892u
BindingDB Entry DOI: 10.7270/Q2XP74DK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%