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Compile Data Set for Download or QSAR

Found 74 hits from ChemDiv Inc.   
Target/Host
(Institution)
LigandTarget/Host
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM84749
PNG
(N-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)benz...)
Show SMILES Cc1cccc(NC(=O)c2ccccc2NCc2ccncc2)c1
Show InChI InChI=1S/C20H19N3O/c1-15-5-4-6-17(13-15)23-20(24)18-7-2-3-8-19(18)22-14-16-9-11-21-12-10-16/h2-13,22H,14H2,1H3,(H,23,24)
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n/an/a 15n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM84747
PNG
((B) ZD6474 | Vandetanib)
Show SMILES CN1CCC(COc2cc3ncnc(Cc4ccc(Br)cc4F)c3cc2C)CC1
Show InChI InChI=1S/C23H25BrFN3O/c1-15-9-19-21(10-17-3-4-18(24)11-20(17)25)26-14-27-22(19)12-23(15)29-13-16-5-7-28(2)8-6-16/h3-4,9,11-12,14,16H,5-8,10,13H2,1-2H3
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n/an/a 22n/an/an/an/an/a25



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM9504
PNG
(2-[(pyridin-4-ylmethyl)amino]-N-(quinolin-3-yl)ben...)
Show SMILES O=C(Nc1cnc2ccccc2c1)c1ccccc1NCc1ccncc1
Show InChI InChI=1S/C22H18N4O/c27-22(26-18-13-17-5-1-3-7-20(17)25-15-18)19-6-2-4-8-21(19)24-14-16-9-11-23-12-10-16/h1-13,15,24H,14H2,(H,26,27)
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n/an/a 32n/an/an/an/an/a25



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM84761
PNG
((15) 1H-1,2,4-triazol-3-yl-anilines 3-Br-(C6H4) 4-...)
Show SMILES Brc1cccc(c1)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C19H14BrN5/c20-14-4-3-5-16(12-14)25-13-22-19(24-25)17-6-1-2-7-18(17)23-15-8-10-21-11-9-15/h1-13H,(H,21,23)
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n/an/a 46n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM84755
PNG
((9) 1H-1,2,4-triazol-3-yl-anilines 3-F3CO(C6H4) 4-...)
Show SMILES FC(F)(F)Oc1cccc(c1)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C20H14F3N5O/c21-20(22,23)29-16-5-3-4-15(12-16)28-13-25-19(27-28)17-6-1-2-7-18(17)26-14-8-10-24-11-9-14/h1-13H,(H,24,26)
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n/an/a 48n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
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 54n/an/an/an/an/a25



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM84757
PNG
((11) 1H-1,2,4-triazol-3-yl-anilines 3-tBu-(C6H4) 4...)
Show SMILES CC(C)(C)c1cccc(c1)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C23H23N5/c1-23(2,3)17-7-6-8-19(15-17)28-16-25-22(27-28)20-9-4-5-10-21(20)26-18-11-13-24-14-12-18/h4-16H,1-3H3,(H,24,26)
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n/an/a 59n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM84750
PNG
((3) 1H-1,2,4-triazol-3-yl-anilines)
Show SMILES FC(F)(F)c1cccc(c1)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C20H14F3N5/c21-20(22,23)14-4-3-5-16(12-14)28-13-25-19(27-28)17-6-1-2-7-18(17)26-15-8-10-24-11-9-15/h1-13H,(H,24,26)
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n/an/a 62n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM84761
PNG
((15) 1H-1,2,4-triazol-3-yl-anilines 3-Br-(C6H4) 4-...)
Show SMILES Brc1cccc(c1)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C19H14BrN5/c20-14-4-3-5-16(12-14)25-13-22-19(24-25)17-6-1-2-7-18(17)23-15-8-10-21-11-9-15/h1-13H,(H,21,23)
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n/an/a 68n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM84755
PNG
((9) 1H-1,2,4-triazol-3-yl-anilines 3-F3CO(C6H4) 4-...)
Show SMILES FC(F)(F)Oc1cccc(c1)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C20H14F3N5O/c21-20(22,23)29-16-5-3-4-15(12-16)28-13-25-19(27-28)17-6-1-2-7-18(17)26-14-8-10-24-11-9-14/h1-13H,(H,24,26)
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n/an/a 86n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM84747
PNG
((B) ZD6474 | Vandetanib)
Show SMILES CN1CCC(COc2cc3ncnc(Cc4ccc(Br)cc4F)c3cc2C)CC1
Show InChI InChI=1S/C23H25BrFN3O/c1-15-9-19-21(10-17-3-4-18(24)11-20(17)25)26-14-27-22(19)12-23(15)29-13-16-5-7-28(2)8-6-16/h3-4,9,11-12,14,16H,5-8,10,13H2,1-2H3
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n/an/a 100n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM84750
PNG
((3) 1H-1,2,4-triazol-3-yl-anilines)
Show SMILES FC(F)(F)c1cccc(c1)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C20H14F3N5/c21-20(22,23)14-4-3-5-16(12-14)28-13-25-19(27-28)17-6-1-2-7-18(17)26-15-8-10-24-11-9-15/h1-13H,(H,24,26)
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n/an/a 110n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM84757
PNG
((11) 1H-1,2,4-triazol-3-yl-anilines 3-tBu-(C6H4) 4...)
Show SMILES CC(C)(C)c1cccc(c1)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C23H23N5/c1-23(2,3)17-7-6-8-19(15-17)28-16-25-22(27-28)20-9-4-5-10-21(20)26-18-11-13-24-14-12-18/h4-16H,1-3H3,(H,24,26)
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n/an/a 130n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial 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 140n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM84766
PNG
((20) 1H-1,2,4-triazol-3-yl-anilines 3-F3C,4-Cl(C6H...)
Show SMILES FC(F)(F)c1cc(ccc1Cl)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C20H13ClF3N5/c21-17-6-5-14(11-16(17)20(22,23)24)29-12-26-19(28-29)15-3-1-2-4-18(15)27-13-7-9-25-10-8-13/h1-12H,(H,25,27)
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n/an/a 150n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM84749
PNG
(N-(3-methylphenyl)-2-(pyridin-4-ylmethylamino)benz...)
Show SMILES Cc1cccc(NC(=O)c2ccccc2NCc2ccncc2)c1
Show InChI InChI=1S/C20H19N3O/c1-15-5-4-6-17(13-15)23-20(24)18-7-2-3-8-19(18)22-14-16-9-11-21-12-10-16/h2-13,22H,14H2,1H3,(H,23,24)
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n/an/a 160n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM84778
PNG
((32) 1H-1,2,4-triazol-3-yl-anilines 3-F3C(C6H4) 4-...)
Show SMILES FC(F)(F)c1cccc(c1)-n1cnc(n1)-c1ccccc1Nc1ccc2cccnc2c1
Show InChI InChI=1S/C24H16F3N5/c25-24(26,27)17-6-3-7-19(13-17)32-15-29-23(31-32)20-8-1-2-9-21(20)30-18-11-10-16-5-4-12-28-22(16)14-18/h1-15,30H
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n/an/a 160n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM9504
PNG
(2-[(pyridin-4-ylmethyl)amino]-N-(quinolin-3-yl)ben...)
Show SMILES O=C(Nc1cnc2ccccc2c1)c1ccccc1NCc1ccncc1
Show InChI InChI=1S/C22H18N4O/c27-22(26-18-13-17-5-1-3-7-20(17)25-15-18)19-6-2-4-8-21(19)24-14-16-9-11-23-12-10-16/h1-13,15,24H,14H2,(H,26,27)
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n/an/a 170n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM84759
PNG
((13) 1H-1,2,4-triazol-3-yl-anilines 3-Cl-(C6H4) 4-...)
Show SMILES Clc1cccc(c1)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C19H14ClN5/c20-14-4-3-5-16(12-14)25-13-22-19(24-25)17-6-1-2-7-18(17)23-15-8-10-21-11-9-15/h1-13H,(H,21,23)
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Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM84770
PNG
((24) 1H-1,2,4-triazol-3-yl-anilines 4-Me-3-F3C(C6H...)
Show SMILES Cc1ccc(cc1C(F)(F)F)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C21H16F3N5/c1-14-6-7-16(12-18(14)21(22,23)24)29-13-26-20(28-29)17-4-2-3-5-19(17)27-15-8-10-25-11-9-15/h2-13H,1H3,(H,25,27)
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Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM84759
PNG
((13) 1H-1,2,4-triazol-3-yl-anilines 3-Cl-(C6H4) 4-...)
Show SMILES Clc1cccc(c1)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C19H14ClN5/c20-14-4-3-5-16(12-14)25-13-22-19(24-25)17-6-1-2-7-18(17)23-15-8-10-21-11-9-15/h1-13H,(H,21,23)
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Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM84766
PNG
((20) 1H-1,2,4-triazol-3-yl-anilines 3-F3C,4-Cl(C6H...)
Show SMILES FC(F)(F)c1cc(ccc1Cl)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C20H13ClF3N5/c21-17-6-5-14(11-16(17)20(22,23)24)29-12-26-19(28-29)15-3-1-2-4-18(15)27-13-7-9-25-10-8-13/h1-12H,(H,25,27)
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Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM84768
PNG
((22) 1H-1,2,4-triazol-3-yl-anilines 3,4-di-Cl(C6H4...)
Show SMILES Clc1ccc(cc1Cl)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C19H13Cl2N5/c20-16-6-5-14(11-17(16)21)26-12-23-19(25-26)15-3-1-2-4-18(15)24-13-7-9-22-10-8-13/h1-12H,(H,22,24)
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Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM84777
PNG
((31) 1H-1,2,4-triazol-3-yl-anilines 3-Br-(C6H4) 4-...)
Show SMILES Brc1cccc(c1)-n1cnc(n1)-c1ccccc1Nc1ccc2cccnc2c1
Show InChI InChI=1S/C23H16BrN5/c24-17-6-3-7-19(13-17)29-15-26-23(28-29)20-8-1-2-9-21(20)27-18-11-10-16-5-4-12-25-22(16)14-18/h1-15,27H
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Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM84764
PNG
((18) 1H-1,2,4-triazol-3-yl-anilines 2-(Quinolinyl)...)
Show SMILES N(c1ccncc1)c1ccccc1-c1ncn(n1)-c1ccc2ccccc2n1
Show InChI InChI=1S/C22H16N6/c1-3-7-19-16(5-1)9-10-21(26-19)28-15-24-22(27-28)18-6-2-4-8-20(18)25-17-11-13-23-14-12-17/h1-15H,(H,23,25)
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ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM84751
PNG
((6) 1H-1,2,4-triazol-3-yl-anilines 4-F3C(C6H4) 4-P...)
Show SMILES FC(F)(F)c1ccc(cc1)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C20H14F3N5/c21-20(22,23)14-5-7-16(8-6-14)28-13-25-19(27-28)17-3-1-2-4-18(17)26-15-9-11-24-12-10-15/h1-13H,(H,24,26)
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ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM84777
PNG
((31) 1H-1,2,4-triazol-3-yl-anilines 3-Br-(C6H4) 4-...)
Show SMILES Brc1cccc(c1)-n1cnc(n1)-c1ccccc1Nc1ccc2cccnc2c1
Show InChI InChI=1S/C23H16BrN5/c24-17-6-3-7-19(13-17)29-15-26-23(28-29)20-8-1-2-9-21(20)27-18-11-10-16-5-4-12-25-22(16)14-18/h1-15,27H
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ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM84770
PNG
((24) 1H-1,2,4-triazol-3-yl-anilines 4-Me-3-F3C(C6H...)
Show SMILES Cc1ccc(cc1C(F)(F)F)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C21H16F3N5/c1-14-6-7-16(12-18(14)21(22,23)24)29-13-26-20(28-29)17-4-2-3-5-19(17)27-15-8-10-25-11-9-15/h2-13H,1H3,(H,25,27)
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ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM84768
PNG
((22) 1H-1,2,4-triazol-3-yl-anilines 3,4-di-Cl(C6H4...)
Show SMILES Clc1ccc(cc1Cl)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C19H13Cl2N5/c20-16-6-5-14(11-17(16)21)26-12-23-19(25-26)15-3-1-2-4-18(15)24-13-7-9-22-10-8-13/h1-12H,(H,22,24)
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ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM84769
PNG
((23) 1H-1,2,4-triazol-3-yl-anilines 3,4-di-MeO(C6H...)
Show SMILES COc1ccc(cc1OC)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C21H19N5O2/c1-27-19-8-7-16(13-20(19)28-2)26-14-23-21(25-26)17-5-3-4-6-18(17)24-15-9-11-22-12-10-15/h3-14H,1-2H3,(H,22,24)
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ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM84778
PNG
((32) 1H-1,2,4-triazol-3-yl-anilines 3-F3C(C6H4) 4-...)
Show SMILES FC(F)(F)c1cccc(c1)-n1cnc(n1)-c1ccccc1Nc1ccc2cccnc2c1
Show InChI InChI=1S/C24H16F3N5/c25-24(26,27)17-6-3-7-19(13-17)32-15-29-23(31-32)20-8-1-2-9-21(20)30-18-11-10-16-5-4-12-28-22(16)14-18/h1-15,30H
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n/an/a 490n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM84758
PNG
((12) 1H-1,2,4-triazol-3-yl-anilines 4-tBu-(C6H4) 4...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C23H23N5/c1-23(2,3)17-8-10-19(11-9-17)28-16-25-22(27-28)20-6-4-5-7-21(20)26-18-12-14-24-15-13-18/h4-16H,1-3H3,(H,24,26)
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ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM84751
PNG
((6) 1H-1,2,4-triazol-3-yl-anilines 4-F3C(C6H4) 4-P...)
Show SMILES FC(F)(F)c1ccc(cc1)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C20H14F3N5/c21-20(22,23)14-5-7-16(8-6-14)28-13-25-19(27-28)17-3-1-2-4-18(17)26-15-9-11-24-12-10-15/h1-13H,(H,24,26)
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ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM84765
PNG
((19) 1H-1,2,4-triazol-3-yl-anilines 5-(Indazolyl) ...)
Show SMILES N(c1ccncc1)c1ccccc1-c1ncn(n1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C20H15N7/c1-2-4-19(24-15-7-9-21-10-8-15)17(3-1)20-22-13-27(26-20)16-5-6-18-14(11-16)12-23-25-18/h1-13H,(H,21,24)(H,23,25)
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ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM84764
PNG
((18) 1H-1,2,4-triazol-3-yl-anilines 2-(Quinolinyl)...)
Show SMILES N(c1ccncc1)c1ccccc1-c1ncn(n1)-c1ccc2ccccc2n1
Show InChI InChI=1S/C22H16N6/c1-3-7-19-16(5-1)9-10-21(26-19)28-15-24-22(27-28)18-6-2-4-8-20(18)25-17-11-13-23-14-12-17/h1-15H,(H,23,25)
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ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM84767
PNG
((21) 1H-1,2,4-triazol-3-yl-anilines 3-Cl,4-F3C(C6H...)
Show SMILES FC(F)(F)c1ccc(cc1Cl)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C20H13ClF3N5/c21-17-11-14(5-6-16(17)20(22,23)24)29-12-26-19(28-29)15-3-1-2-4-18(15)27-13-7-9-25-10-8-13/h1-12H,(H,25,27)
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ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM84769
PNG
((23) 1H-1,2,4-triazol-3-yl-anilines 3,4-di-MeO(C6H...)
Show SMILES COc1ccc(cc1OC)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C21H19N5O2/c1-27-19-8-7-16(13-20(19)28-2)26-14-23-21(25-26)17-5-3-4-6-18(17)24-15-9-11-22-12-10-15/h3-14H,1-2H3,(H,22,24)
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n/an/a 590n/an/an/an/a7.525



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Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM84762
PNG
((16) 1H-1,2,4-triazol-3-yl-anilines 4-Br-(C6H4) 4-...)
Show SMILES Brc1ccc(cc1)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C19H14BrN5/c20-14-5-7-16(8-6-14)25-13-22-19(24-25)17-3-1-2-4-18(17)23-15-9-11-21-12-10-15/h1-13H,(H,21,23)
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n/an/a 590n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM84762
PNG
((16) 1H-1,2,4-triazol-3-yl-anilines 4-Br-(C6H4) 4-...)
Show SMILES Brc1ccc(cc1)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C19H14BrN5/c20-14-5-7-16(8-6-14)25-13-22-19(24-25)17-3-1-2-4-18(17)23-15-9-11-21-12-10-15/h1-13H,(H,21,23)
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n/an/a 660n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM84765
PNG
((19) 1H-1,2,4-triazol-3-yl-anilines 5-(Indazolyl) ...)
Show SMILES N(c1ccncc1)c1ccccc1-c1ncn(n1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C20H15N7/c1-2-4-19(24-15-7-9-21-10-8-15)17(3-1)20-22-13-27(26-20)16-5-6-18-14(11-16)12-23-25-18/h1-13H,(H,21,24)(H,23,25)
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n/an/a 660n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM84771
PNG
((25) 1H-1,2,4-triazol-3-yl-anilines 3-Me-4-F3C(C6H...)
Show SMILES Cc1cc(ccc1C(F)(F)F)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C21H16F3N5/c1-14-12-16(6-7-18(14)21(22,23)24)29-13-26-20(28-29)17-4-2-3-5-19(17)27-15-8-10-25-11-9-15/h2-13H,1H3,(H,25,27)
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n/an/a 670n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM84756
PNG
((10) 1H-1,2,4-triazol-3-yl-anilines 4-F3CO(C6H4) 4...)
Show SMILES FC(F)(F)Oc1ccc(cc1)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C20H14F3N5O/c21-20(22,23)29-16-7-5-15(6-8-16)28-13-25-19(27-28)17-3-1-2-4-18(17)26-14-9-11-24-12-10-14/h1-13H,(H,24,26)
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n/an/a 690n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM84760
PNG
((14) 1H-1,2,4-triazol-3-yl-anilines 4-Cl-(C6H4) 4-...)
Show SMILES Clc1ccc(cc1)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C19H14ClN5/c20-14-5-7-16(8-6-14)25-13-22-19(24-25)17-3-1-2-4-18(17)23-15-9-11-21-12-10-15/h1-13H,(H,21,23)
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n/an/a 750n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM84773
PNG
((27) 1H-1,2,4-triazol-3-yl-anilines Piperonyl- 4-P...)
Show SMILES [O-]P([O-])(=O)OP([O-])(=O)n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C13H13N5O6P2/c19-25(20,24-26(21,22)23)18-9-15-13(17-18)11-3-1-2-4-12(11)16-10-5-7-14-8-6-10/h1-9H,(H,14,16)(H,19,20)(H2,21,22,23)/p-3
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n/an/a 780n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM84758
PNG
((12) 1H-1,2,4-triazol-3-yl-anilines 4-tBu-(C6H4) 4...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C23H23N5/c1-23(2,3)17-8-10-19(11-9-17)28-16-25-22(27-28)20-6-4-5-7-21(20)26-18-12-14-24-15-13-18/h4-16H,1-3H3,(H,24,26)
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n/an/a 790n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM84767
PNG
((21) 1H-1,2,4-triazol-3-yl-anilines 3-Cl,4-F3C(C6H...)
Show SMILES FC(F)(F)c1ccc(cc1Cl)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C20H13ClF3N5/c21-17-11-14(5-6-16(17)20(22,23)24)29-12-26-19(28-29)15-3-1-2-4-18(15)27-13-7-9-25-10-8-13/h1-12H,(H,25,27)
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n/an/a 830n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM84771
PNG
((25) 1H-1,2,4-triazol-3-yl-anilines 3-Me-4-F3C(C6H...)
Show SMILES Cc1cc(ccc1C(F)(F)F)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C21H16F3N5/c1-14-12-16(6-7-18(14)21(22,23)24)29-13-26-20(28-29)17-4-2-3-5-19(17)27-15-8-10-25-11-9-15/h2-13H,1H3,(H,25,27)
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n/an/a 920n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM84773
PNG
((27) 1H-1,2,4-triazol-3-yl-anilines Piperonyl- 4-P...)
Show SMILES [O-]P([O-])(=O)OP([O-])(=O)n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C13H13N5O6P2/c19-25(20,24-26(21,22)23)18-9-15-13(17-18)11-3-1-2-4-12(11)16-10-5-7-14-8-6-10/h1-9H,(H,14,16)(H,19,20)(H2,21,22,23)/p-3
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n/an/a 940n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM84760
PNG
((14) 1H-1,2,4-triazol-3-yl-anilines 4-Cl-(C6H4) 4-...)
Show SMILES Clc1ccc(cc1)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C19H14ClN5/c20-14-5-7-16(8-6-14)25-13-22-19(24-25)17-3-1-2-4-18(17)23-15-9-11-21-12-10-15/h1-13H,(H,21,23)
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n/an/a 1.03E+3n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM84756
PNG
((10) 1H-1,2,4-triazol-3-yl-anilines 4-F3CO(C6H4) 4...)
Show SMILES FC(F)(F)Oc1ccc(cc1)-n1cnc(n1)-c1ccccc1Nc1ccncc1
Show InChI InChI=1S/C20H14F3N5O/c21-20(22,23)29-16-7-5-15(6-8-16)28-13-25-19(27-28)17-3-1-2-4-18(17)26-14-9-11-24-12-10-14/h1-13H,(H,24,26)
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n/an/a 1.15E+3n/an/an/an/a7.525



ChemDiv Inc.



Assay Description
In a representative synthetic procedure (compound 3), a mixture of 1 (330 mg, 2 mM) and 3-F3C-C6H4-NHNH2 (370 mg, 2.1 mM) in anisole (20 mL) was stir...


Chem Biol Drug Des 69: 331-7 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00507.x
BindingDB Entry DOI: 10.7270/Q2DR2T12
More data for this
Ligand-Target Pair
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