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Compile Data Set for Download or QSAR

Found 328 hits with Last Name = 'nishigaki' and Initial = 'n'   
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
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM8411
PNG
(4-{[3-(4-nitrophenyl)-1H-pyrazol-5-yl]amino}benzen...)
Show SMILES NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(cc2)N(=O)=O)cc1
Show InChI InChI=1S/C15H13N5O4S/c16-25(23,24)13-7-3-11(4-8-13)17-15-9-14(18-19-15)10-1-5-12(6-2-10)20(21)22/h1-9H,(H2,16,23,24)(H2,17,18,19)
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n/an/a 0.330n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...

Bioorg Med Chem Lett 13: 2985-8 (2003)


Article DOI: 10.1016/S0960-894X(03)00630-9
BindingDB Entry DOI: 10.7270/Q2ZC813W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM8399
PNG
(4-{[3-(4-aminophenyl)-1H-pyrazol-5-yl]amino}benzen...)
Show SMILES Nc1ccc(cc1)-c1cc(Nc2ccc(cc2)S(N)(=O)=O)[nH]n1
Show InChI InChI=1S/C15H15N5O2S/c16-11-3-1-10(2-4-11)14-9-15(20-19-14)18-12-5-7-13(8-6-12)23(17,21)22/h1-9H,16H2,(H2,17,21,22)(H2,18,19,20)
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n/an/a 0.340n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...

Bioorg Med Chem Lett 13: 2985-8 (2003)


Article DOI: 10.1016/S0960-894X(03)00630-9
BindingDB Entry DOI: 10.7270/Q2ZC813W
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17792
PNG
(benzimidazole-urea, 20 | methyl N-[6-(4-{[(3-bromo...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(Br)c4)cc3)cc2[nH]1
Show InChI InChI=1S/C22H18BrN5O4/c1-31-22(30)28-20-26-18-10-9-17(12-19(18)27-20)32-16-7-5-14(6-8-16)24-21(29)25-15-4-2-3-13(23)11-15/h2-12H,1H3,(H2,24,25,29)(H2,26,27,28,30)
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n/an/a 1.10n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17795
PNG
(benzimidazole-urea, 23 | methyl N-(6-{4-[({3-[(tri...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(SC(F)(F)F)c4)cc3)cc2[nH]1
Show InChI InChI=1S/C23H18F3N5O4S/c1-34-22(33)31-20-29-18-10-9-16(12-19(18)30-20)35-15-7-5-13(6-8-15)27-21(32)28-14-3-2-4-17(11-14)36-23(24,25)26/h2-12H,1H3,(H2,27,28,32)(H2,29,30,31,33)
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n/an/a 1.30n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17824
PNG
(N-{6-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carb...)
Show SMILES CN1CCN(CC(=O)Nc2nc3ccc(Oc4ccc(NC(=O)Nc5cc(ccc5F)C(F)(F)F)cc4)cc3[nH]2)CC1
Show InChI InChI=1S/C28H27F4N7O3/c1-38-10-12-39(13-11-38)16-25(40)37-26-34-22-9-7-20(15-24(22)35-26)42-19-5-3-18(4-6-19)33-27(41)36-23-14-17(28(30,31)32)2-8-21(23)29/h2-9,14-15H,10-13,16H2,1H3,(H2,33,36,41)(H2,34,35,37,40)
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n/an/a 1.5n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17813
PNG
(benzthiazole-urea, 40 | methyl N-{6-[4-({[2-fluoro...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2s1
Show InChI InChI=1S/C23H16F4N4O4S/c1-34-22(33)31-21-30-17-9-7-15(11-19(17)36-21)35-14-5-3-13(4-6-14)28-20(32)29-18-10-12(23(25,26)27)2-8-16(18)24/h2-11H,1H3,(H2,28,29,32)(H,30,31,33)
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n/an/a 2.10n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17816
PNG
(imidazopyridine-urea, 43 | methyl N-{5-[4-({[2-flu...)
Show SMILES COC(=O)Nc1nc2nc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)ccc2[nH]1
Show InChI InChI=1S/C22H16F4N6O4/c1-35-21(34)32-19-28-15-8-9-17(30-18(15)31-19)36-13-5-3-12(4-6-13)27-20(33)29-16-10-11(22(24,25)26)2-7-14(16)23/h2-10H,1H3,(H2,27,29,33)(H2,28,30,31,32,34)
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n/an/a 2.30n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17806
PNG
(N-{6-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carb...)
Show SMILES CC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
Show InChI InChI=1S/C23H17F4N5O3/c1-12(33)28-21-30-18-9-7-16(11-20(18)31-21)35-15-5-3-14(4-6-15)29-22(34)32-19-10-13(23(25,26)27)2-8-17(19)24/h2-11H,1H3,(H2,29,32,34)(H2,28,30,31,33)
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n/an/a 2.60n/an/an/an/a7.422



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17806
PNG
(N-{6-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carb...)
Show SMILES CC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
Show InChI InChI=1S/C23H17F4N5O3/c1-12(33)28-21-30-18-9-7-16(11-20(18)31-21)35-15-5-3-14(4-6-15)29-22(34)32-19-10-13(23(25,26)27)2-8-17(19)24/h2-11H,1H3,(H2,29,32,34)(H2,28,30,31,33)
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n/an/a 2.60n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17791
PNG
(benzimidazole-urea, 19 | methyl N-[6-(4-{[(3-ethyl...)
Show SMILES CCc1cccc(NC(=O)Nc2ccc(Oc3ccc4nc(NC(=O)OC)[nH]c4c3)cc2)c1
Show InChI InChI=1S/C24H23N5O4/c1-3-15-5-4-6-17(13-15)26-23(30)25-16-7-9-18(10-8-16)33-19-11-12-20-21(14-19)28-22(27-20)29-24(31)32-2/h4-14H,3H2,1-2H3,(H2,25,26,30)(H2,27,28,29,31)
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n/an/a 2.90n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17805
PNG
(N-(6-{[6-({[2-fluoro-5-(trifluoromethyl)phenyl]car...)
Show SMILES CC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)nc3)cc2[nH]1
Show InChI InChI=1S/C22H16F4N6O3/c1-11(33)28-20-29-16-6-3-13(9-18(16)30-20)35-14-4-7-19(27-10-14)32-21(34)31-17-8-12(22(24,25)26)2-5-15(17)23/h2-10H,1H3,(H2,27,31,32,34)(H2,28,29,30,33)
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n/an/a 2.90n/an/an/an/a7.422



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17823
PNG
(N-{6-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carb...)
Show SMILES COCCOCC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
Show InChI InChI=1S/C26H23F4N5O5/c1-38-10-11-39-14-23(36)35-24-32-20-9-7-18(13-22(20)33-24)40-17-5-3-16(4-6-17)31-25(37)34-21-12-15(26(28,29)30)2-8-19(21)27/h2-9,12-13H,10-11,14H2,1H3,(H2,31,34,37)(H2,32,33,35,36)
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n/an/a 3n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17790
PNG
(benzimidazole-urea, 18 | methyl N-{6-[4-({[2-chlor...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4Cl)C(F)(F)F)cc3)cc2[nH]1
Show InChI InChI=1S/C23H17ClF3N5O4/c1-35-22(34)32-20-29-17-9-7-15(11-19(17)30-20)36-14-5-3-13(4-6-14)28-21(33)31-18-10-12(23(25,26)27)2-8-16(18)24/h2-11H,1H3,(H2,28,31,33)(H2,29,30,32,34)
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n/an/a 3.30n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17815
PNG
(imidazopyridine-urea,42 | methyl N-{6-[4-({[2-fluo...)
Show SMILES COC(=O)Nc1cn2cc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C23H17F4N5O4/c1-35-22(34)31-19-12-32-11-16(7-9-20(32)30-19)36-15-5-3-14(4-6-15)28-21(33)29-18-10-13(23(25,26)27)2-8-17(18)24/h2-12H,1H3,(H,31,34)(H2,28,29,33)
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n/an/a 3.40n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17815
PNG
(imidazopyridine-urea,42 | methyl N-{6-[4-({[2-fluo...)
Show SMILES COC(=O)Nc1cn2cc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C23H17F4N5O4/c1-35-22(34)31-19-12-32-11-16(7-9-20(32)30-19)36-15-5-3-14(4-6-15)28-21(33)29-18-10-13(23(25,26)27)2-8-17(18)24/h2-12H,1H3,(H,31,34)(H2,28,29,33)
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n/an/a 3.40n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17789
PNG
(benzimidazole-urea, 17 | methyl N-{6-[4-({[2-fluor...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
Show InChI InChI=1S/C23H17F4N5O4/c1-35-22(34)32-20-29-17-9-7-15(11-19(17)30-20)36-14-5-3-13(4-6-14)28-21(33)31-18-10-12(23(25,26)27)2-8-16(18)24/h2-11H,1H3,(H2,28,31,33)(H2,29,30,32,34)
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n/an/a 3.5n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17814
PNG
(benzoxazole-urea, 41 | methyl N-{6-[4-({[2-fluoro-...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2o1
Show InChI InChI=1S/C23H16F4N4O5/c1-34-22(33)31-21-30-17-9-7-15(11-19(17)36-21)35-14-5-3-13(4-6-14)28-20(32)29-18-10-12(23(25,26)27)2-8-16(18)24/h2-11H,1H3,(H2,28,29,32)(H,30,31,33)
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n/an/a 4.80n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17824
PNG
(N-{6-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carb...)
Show SMILES CN1CCN(CC(=O)Nc2nc3ccc(Oc4ccc(NC(=O)Nc5cc(ccc5F)C(F)(F)F)cc4)cc3[nH]2)CC1
Show InChI InChI=1S/C28H27F4N7O3/c1-38-10-12-39(13-11-38)16-25(40)37-26-34-22-9-7-20(15-24(22)35-26)42-19-5-3-18(4-6-19)33-27(41)36-23-14-17(28(30,31)32)2-8-21(23)29/h2-9,14-15H,10-13,16H2,1H3,(H2,33,36,41)(H2,34,35,37,40)
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n/an/a 4.90n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17788
PNG
(benzimidazole-urea, 16 | methyl N-{6-[4-({[3-(trif...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)cc2[nH]1
Show InChI InChI=1S/C23H18F3N5O4/c1-34-22(33)31-20-29-18-10-9-17(12-19(18)30-20)35-16-7-5-14(6-8-16)27-21(32)28-15-4-2-3-13(11-15)23(24,25)26/h2-12H,1H3,(H2,27,28,32)(H2,29,30,31,33)
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n/an/a 5n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17821
PNG
(N-{6-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carb...)
Show SMILES Fc1ccc(cc1NC(=O)Nc1ccc(Oc2ccc3nc(NC(=O)c4ccco4)[nH]c3c2)cc1)C(F)(F)F
Show InChI InChI=1S/C26H17F4N5O4/c27-18-9-3-14(26(28,29)30)12-20(18)34-25(37)31-15-4-6-16(7-5-15)39-17-8-10-19-21(13-17)33-24(32-19)35-23(36)22-2-1-11-38-22/h1-13H,(H2,31,34,37)(H2,32,33,35,36)
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n/an/a 5.10n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17821
PNG
(N-{6-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carb...)
Show SMILES Fc1ccc(cc1NC(=O)Nc1ccc(Oc2ccc3nc(NC(=O)c4ccco4)[nH]c3c2)cc1)C(F)(F)F
Show InChI InChI=1S/C26H17F4N5O4/c27-18-9-3-14(26(28,29)30)12-20(18)34-25(37)31-15-4-6-16(7-5-15)39-17-8-10-19-21(13-17)33-24(32-19)35-23(36)22-2-1-11-38-22/h1-13H,(H2,31,34,37)(H2,32,33,35,36)
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n/an/a 5.20n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17788
PNG
(benzimidazole-urea, 16 | methyl N-{6-[4-({[3-(trif...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)cc2[nH]1
Show InChI InChI=1S/C23H18F3N5O4/c1-34-22(33)31-20-29-18-10-9-17(12-19(18)30-20)35-16-7-5-14(6-8-16)27-21(32)28-15-4-2-3-13(11-15)23(24,25)26/h2-12H,1H3,(H2,27,28,32)(H2,29,30,31,33)
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n/an/a 5.20n/an/an/an/a7.422



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17823
PNG
(N-{6-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carb...)
Show SMILES COCCOCC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
Show InChI InChI=1S/C26H23F4N5O5/c1-38-10-11-39-14-23(36)35-24-32-20-9-7-18(13-22(20)33-24)40-17-5-3-16(4-6-17)31-25(37)34-21-12-15(26(28,29)30)2-8-19(21)27/h2-9,12-13H,10-11,14H2,1H3,(H2,31,34,37)(H2,32,33,35,36)
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n/an/a 5.40n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17817
PNG
(imidazopyridine-urea, 44 | methyl N-{6-[4-({[2-flu...)
Show SMILES COC(=O)Nc1nc2ncc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
Show InChI InChI=1S/C22H16F4N6O4/c1-35-21(34)32-19-29-17-9-14(10-27-18(17)31-19)36-13-5-3-12(4-6-13)28-20(33)30-16-8-11(22(24,25)26)2-7-15(16)23/h2-10H,1H3,(H2,28,30,33)(H2,27,29,31,32,34)
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n/an/a 5.40n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17796
PNG
(benzimidazole-urea, 24 | methyl N-{6-[4-({[3-(meth...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(SC)c4)cc3)cc2[nH]1
Show InChI InChI=1S/C23H21N5O4S/c1-31-23(30)28-21-26-19-11-10-17(13-20(19)27-21)32-16-8-6-14(7-9-16)24-22(29)25-15-4-3-5-18(12-15)33-2/h3-13H,1-2H3,(H2,24,25,29)(H2,26,27,28,30)
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n/an/a 5.40n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17816
PNG
(imidazopyridine-urea, 43 | methyl N-{5-[4-({[2-flu...)
Show SMILES COC(=O)Nc1nc2nc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)ccc2[nH]1
Show InChI InChI=1S/C22H16F4N6O4/c1-35-21(34)32-19-28-15-8-9-17(30-18(15)31-19)36-13-5-3-12(4-6-13)27-20(33)29-16-10-11(22(24,25)26)2-7-14(16)23/h2-10H,1H3,(H2,27,29,33)(H2,28,30,31,32,34)
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n/an/a 5.60n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17793
PNG
(benzimidazole-urea, 21 | methyl N-[6-(4-{[(3-chlor...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)cc2[nH]1
Show InChI InChI=1S/C22H18ClN5O4/c1-31-22(30)28-20-26-18-10-9-17(12-19(18)27-20)32-16-7-5-14(6-8-16)24-21(29)25-15-4-2-3-13(23)11-15/h2-12H,1H3,(H2,24,25,29)(H2,26,27,28,30)
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n/an/a 6.30n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17790
PNG
(benzimidazole-urea, 18 | methyl N-{6-[4-({[2-chlor...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4Cl)C(F)(F)F)cc3)cc2[nH]1
Show InChI InChI=1S/C23H17ClF3N5O4/c1-35-22(34)32-20-29-17-9-7-15(11-19(17)30-20)36-14-5-3-13(4-6-14)28-21(33)31-18-10-12(23(25,26)27)2-8-16(18)24/h2-11H,1H3,(H2,28,31,33)(H2,29,30,32,34)
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n/an/a 6.30n/an/an/an/a7.422



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17813
PNG
(benzthiazole-urea, 40 | methyl N-{6-[4-({[2-fluoro...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2s1
Show InChI InChI=1S/C23H16F4N4O4S/c1-34-22(33)31-21-30-17-9-7-15(11-19(17)36-21)35-14-5-3-13(4-6-14)28-20(32)29-18-10-12(23(25,26)27)2-8-16(18)24/h2-11H,1H3,(H2,28,29,32)(H,30,31,33)
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n/an/a 6.5n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17789
PNG
(benzimidazole-urea, 17 | methyl N-{6-[4-({[2-fluor...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
Show InChI InChI=1S/C23H17F4N5O4/c1-35-22(34)32-20-29-17-9-7-15(11-19(17)30-20)36-14-5-3-13(4-6-14)28-21(33)31-18-10-12(23(25,26)27)2-8-16(18)24/h2-11H,1H3,(H2,28,31,33)(H2,29,30,32,34)
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n/an/a 6.90n/an/an/an/a7.422



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17794
PNG
(benzimidazole-urea, 22 | methyl N-[6-(4-{[(2,5-dif...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(F)ccc4F)cc3)cc2[nH]1
Show InChI InChI=1S/C22H17F2N5O4/c1-32-22(31)29-20-26-17-9-7-15(11-19(17)27-20)33-14-5-3-13(4-6-14)25-21(30)28-18-10-12(23)2-8-16(18)24/h2-11H,1H3,(H2,25,28,30)(H2,26,27,29,31)
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n/an/a 7.60n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50024849
PNG
(CHEMBL3337825)
Show SMILES Cc1nn(CCCC(F)(F)F)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19F4N3O2/c1-13-20(15-5-8-18-17(11-15)27-19(30)12-31-18)21(14-3-6-16(23)7-4-14)29(28-13)10-2-9-22(24,25)26/h3-8,11H,2,9-10,12H2,1H3,(H,27,30)
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n/an/a 8.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from human mineralocorticoid receptor expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 22: 5428-45 (2014)


Article DOI: 10.1016/j.bmc.2014.07.038
BindingDB Entry DOI: 10.7270/Q218383G
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17814
PNG
(benzoxazole-urea, 41 | methyl N-{6-[4-({[2-fluoro-...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2o1
Show InChI InChI=1S/C23H16F4N4O5/c1-34-22(33)31-21-30-17-9-7-15(11-19(17)36-21)35-14-5-3-13(4-6-14)28-20(32)29-18-10-12(23(25,26)27)2-8-16(18)24/h2-11H,1H3,(H2,28,29,32)(H,30,31,33)
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n/an/a 8.90n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM8401
PNG
(4-{[3-(3-hydroxyphenyl)-1H-pyrazol-5-yl]amino}benz...)
Show SMILES NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2cccc(O)c2)cc1
Show InChI InChI=1S/C15H14N4O3S/c16-23(21,22)13-6-4-11(5-7-13)17-15-9-14(18-19-15)10-2-1-3-12(20)8-10/h1-9,20H,(H2,16,21,22)(H2,17,18,19)
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n/an/a 9.10n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...

Bioorg Med Chem Lett 13: 2985-8 (2003)


Article DOI: 10.1016/S0960-894X(03)00630-9
BindingDB Entry DOI: 10.7270/Q2ZC813W
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17807
PNG
(benzimidazole-urea, 34 | methyl N-(6-{[4-({[2-fluo...)
Show SMILES COC(=O)Nc1nc2ccc(Sc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
Show InChI InChI=1S/C23H17F4N5O3S/c1-35-22(34)32-20-29-17-9-7-15(11-19(17)30-20)36-14-5-3-13(4-6-14)28-21(33)31-18-10-12(23(25,26)27)2-8-16(18)24/h2-11H,1H3,(H2,28,31,33)(H2,29,30,32,34)
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n/an/a 10n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50024859
PNG
(CHEMBL3337831)
Show SMILES Cc1nn(CCC(C)(F)F)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H20F3N3O2/c1-13-20(15-5-8-18-17(11-15)26-19(29)12-30-18)21(14-3-6-16(23)7-4-14)28(27-13)10-9-22(2,24)25/h3-8,11H,9-10,12H2,1-2H3,(H,26,29)
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n/an/a 10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from human mineralocorticoid receptor expressed in 293 cells after 16 hrs by scintillation counting

Bioorg Med Chem 22: 5428-45 (2014)


Article DOI: 10.1016/j.bmc.2014.07.038
BindingDB Entry DOI: 10.7270/Q218383G
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17795
PNG
(benzimidazole-urea, 23 | methyl N-(6-{4-[({3-[(tri...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(SC(F)(F)F)c4)cc3)cc2[nH]1
Show InChI InChI=1S/C23H18F3N5O4S/c1-34-22(33)31-20-29-18-10-9-16(12-19(18)30-20)35-15-7-5-13(6-8-15)27-21(32)28-14-3-2-4-17(11-14)36-23(24,25)26/h2-12H,1H3,(H2,27,28,32)(H2,29,30,31,33)
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n/an/a 10n/an/an/an/a7.422



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17807
PNG
(benzimidazole-urea, 34 | methyl N-(6-{[4-({[2-fluo...)
Show SMILES COC(=O)Nc1nc2ccc(Sc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
Show InChI InChI=1S/C23H17F4N5O3S/c1-35-22(34)32-20-29-17-9-7-15(11-19(17)30-20)36-14-5-3-13(4-6-14)28-21(33)31-18-10-12(23(25,26)27)2-8-16(18)24/h2-11H,1H3,(H2,28,31,33)(H2,29,30,32,34)
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n/an/a 10n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM8397
PNG
(4-{[3-(4-bromophenyl)-1H-pyrazol-5-yl]amino}benzen...)
Show SMILES NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C15H13BrN4O2S/c16-11-3-1-10(2-4-11)14-9-15(20-19-14)18-12-5-7-13(8-6-12)23(17,21)22/h1-9H,(H2,17,21,22)(H2,18,19,20)
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n/an/a 10n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...

Bioorg Med Chem Lett 13: 2985-8 (2003)


Article DOI: 10.1016/S0960-894X(03)00630-9
BindingDB Entry DOI: 10.7270/Q2ZC813W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM8402
PNG
(4-{[3-(3-methanesulfonamidophenyl)-1H-pyrazol-5-yl...)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1cc(Nc2ccc(cc2)S(N)(=O)=O)[nH]n1
Show InChI InChI=1S/C16H17N5O4S2/c1-26(22,23)21-13-4-2-3-11(9-13)15-10-16(20-19-15)18-12-5-7-14(8-6-12)27(17,24)25/h2-10,21H,1H3,(H2,17,24,25)(H2,18,19,20)
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n/an/a 10.7n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...

Bioorg Med Chem Lett 13: 2985-8 (2003)


Article DOI: 10.1016/S0960-894X(03)00630-9
BindingDB Entry DOI: 10.7270/Q2ZC813W
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM8404
PNG
(4-{[3-(3-benzenesulfonamidophenyl)-1H-pyrazol-5-yl...)
Show SMILES NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1
Show InChI InChI=1S/C21H19N5O4S2/c22-31(27,28)18-11-9-16(10-12-18)23-21-14-20(24-25-21)15-5-4-6-17(13-15)26-32(29,30)19-7-2-1-3-8-19/h1-14,26H,(H2,22,27,28)(H2,23,24,25)
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n/an/a 10.7n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...

Bioorg Med Chem Lett 13: 2985-8 (2003)


Article DOI: 10.1016/S0960-894X(03)00630-9
BindingDB Entry DOI: 10.7270/Q2ZC813W
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17810
PNG
(benzimidazole-urea, 37 | methyl N-(6-{[4-({[2-fluo...)
Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C24H17F4N5O4/c1-37-23(36)33-21-30-17-9-4-13(10-19(17)31-21)20(34)12-2-6-15(7-3-12)29-22(35)32-18-11-14(24(26,27)28)5-8-16(18)25/h2-11H,1H3,(H2,29,32,35)(H2,30,31,33,36)
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n/an/a 11n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50359651
PNG
(CHEMBL1929041)
Show SMILES Cc1cc(F)ccc1-n1nc(cc1-c1cc(Cl)c2OCC(=O)Nc2c1)C(F)(F)F
Show InChI InChI=1S/C19H12ClF4N3O2/c1-9-4-11(21)2-3-14(9)27-15(7-16(26-27)19(22,23)24)10-5-12(20)18-13(6-10)25-17(28)8-29-18/h2-7H,8H2,1H3,(H,25,28)
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n/an/a 12n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from cytosolic human MR expressed in HEK293 cells after 16 hrs by scintillation counting

J Med Chem 54: 8616-31 (2011)


Article DOI: 10.1021/jm2011645
BindingDB Entry DOI: 10.7270/Q21G0MP5
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM8398
PNG
(4-{[3-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-5-yl]a...)
Show SMILES NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(O)c(F)c2)cc1
Show InChI InChI=1S/C15H13FN4O3S/c16-12-7-9(1-6-14(12)21)13-8-15(20-19-13)18-10-2-4-11(5-3-10)24(17,22)23/h1-8,21H,(H2,17,22,23)(H2,18,19,20)
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n/an/a 12.6n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...

Bioorg Med Chem Lett 13: 2985-8 (2003)


Article DOI: 10.1016/S0960-894X(03)00630-9
BindingDB Entry DOI: 10.7270/Q2ZC813W
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17792
PNG
(benzimidazole-urea, 20 | methyl N-[6-(4-{[(3-bromo...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(Br)c4)cc3)cc2[nH]1
Show InChI InChI=1S/C22H18BrN5O4/c1-31-22(30)28-20-26-18-10-9-17(12-19(18)27-20)32-16-7-5-14(6-8-16)24-21(29)25-15-4-2-3-13(23)11-15/h2-12H,1H3,(H2,24,25,29)(H2,26,27,28,30)
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n/an/a 13n/an/an/an/a7.422



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17819
PNG
(N-{6-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carb...)
Show SMILES Fc1ccc(cc1NC(=O)Nc1ccc(Oc2ccc3nc(NC(=O)c4ccccc4)[nH]c3c2)cc1)C(F)(F)F
Show InChI InChI=1S/C28H19F4N5O3/c29-21-12-6-17(28(30,31)32)14-23(21)36-27(39)33-18-7-9-19(10-8-18)40-20-11-13-22-24(15-20)35-26(34-22)37-25(38)16-4-2-1-3-5-16/h1-15H,(H2,33,36,39)(H2,34,35,37,38)
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n/an/a 13n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50359652
PNG
(CHEMBL1929042)
Show SMILES Cc1cc(cc2NC(=O)COc12)-c1cc(nn1-c1ccc(F)cc1C)C(F)(F)F
Show InChI InChI=1S/C20H15F4N3O2/c1-10-6-13(21)3-4-15(10)27-16(8-17(26-27)20(22,23)24)12-5-11(2)19-14(7-12)25-18(28)9-29-19/h3-8H,9H2,1-2H3,(H,25,28)
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n/an/a 15n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human MR transfected in human COS1 cells after 1 day by luciferase reporter gene assay

J Med Chem 54: 8616-31 (2011)


Article DOI: 10.1021/jm2011645
BindingDB Entry DOI: 10.7270/Q21G0MP5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17818
PNG
(1-{4-[(2-amino-1H-1,3-benzodiazol-6-yl)oxy]phenyl}...)
Show SMILES Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
Show InChI InChI=1S/C21H15F4N5O2/c22-15-7-1-11(21(23,24)25)9-17(15)30-20(31)27-12-2-4-13(5-3-12)32-14-6-8-16-18(10-14)29-19(26)28-16/h1-10H,(H3,26,28,29)(H2,27,30,31)
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n/an/a 15n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))		BDBM17822
PNG
(N-{6-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carb...)
Show SMILES Fc1ccc(cc1NC(=O)Nc1ccc(Oc2ccc3nc(NC(=O)c4cccnc4)[nH]c3c2)cc1)C(F)(F)F
Show InChI InChI=1S/C27H18F4N6O3/c28-20-9-3-16(27(29,30)31)12-22(20)36-26(39)33-17-4-6-18(7-5-17)40-19-8-10-21-23(13-19)35-25(34-21)37-24(38)15-2-1-11-32-14-15/h1-14H,(H2,33,36,39)(H2,34,35,37,38)
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n/an/a 16n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM17801
PNG
(benzimidazole-acetamide, 29 | methyl N-{6-[4-({[2-...)
Show SMILES COC(=O)Nc1nc2ccc(Oc3ccc(CC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
Show InChI InChI=1S/C24H18F4N4O4/c1-35-23(34)32-22-30-18-9-7-16(12-20(18)31-22)36-15-5-2-13(3-6-15)10-21(33)29-19-11-14(24(26,27)28)4-8-17(19)25/h2-9,11-12H,10H2,1H3,(H,29,33)(H2,30,31,32,34)
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n/an/a 16n/an/an/an/an/an/a



GSK



Assay Description
The assay uses purified GST-Tie-2 or GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium cryptate...

J Med Chem 50: 4453-70 (2007)


Article DOI: 10.1021/jm0611051
BindingDB Entry DOI: 10.7270/Q20V8B29
More data for this
Ligand-Target Pair
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