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Compile Data Set for Download or QSAR

Found 78 hits with Last Name = 'nartey' and Initial = 'en'   
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
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50195876
PNG
(3-(4-amino-3-{4-[3-(2-fluoro-5-trifluoromethyl-phe...)
Show SMILES Nc1ncc(-c2cccc(c2)S(N)(=O)=O)c2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C27H19F4N5O4S/c28-21-9-6-16(27(29,30)31)11-22(21)36-26(37)35-17-7-4-14(5-8-17)20-13-40-24-19(12-34-25(32)23(20)24)15-2-1-3-18(10-15)41(33,38)39/h1-13H,(H2,32,34)(H2,33,38,39)(H2,35,36,37)
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n/an/a 0.400n/an/an/an/an/an/a



GlaxoSmithKline K.K.

Curated by ChEMBL


Assay Description
Inhibition of human EphB4 by scintillation proximity method


Bioorg Med Chem Lett 17: 250-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.050
BindingDB Entry DOI: 10.7270/Q2SB45D5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5828
PNG
(1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-{4-[methy...)
Show SMILES CN(c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C25H21F4N7O3S/c1-36(22-11-12-31-23(35-22)32-17-3-2-4-19(14-17)40(30,38)39)18-8-6-16(7-9-18)33-24(37)34-21-13-15(25(27,28)29)5-10-20(21)26/h2-14H,1H3,(H2,30,38,39)(H,31,32,35)(H2,33,34,37)
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n/an/a 1n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinyl...


Bioorg Med Chem Lett 15: 3519-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.096
BindingDB Entry DOI: 10.7270/Q2KK990W
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5829
PNG
(1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-{4-[methy...)
Show SMILES CN(c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1)c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C25H21F4N7O3S/c1-36(22-12-13-31-23(35-22)32-16-5-9-19(10-6-16)40(30,38)39)18-7-3-17(4-8-18)33-24(37)34-21-14-15(25(27,28)29)2-11-20(21)26/h2-14H,1H3,(H2,30,38,39)(H,31,32,35)(H2,33,34,37)
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n/an/a 1n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinyl...


Bioorg Med Chem Lett 15: 3519-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.096
BindingDB Entry DOI: 10.7270/Q2KK990W
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5827
PNG
(1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-{4-[(2-{[...)
Show SMILES CN(c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1
Show InChI InChI=1S/C27H24F4N6O3S/c1-37(24-13-14-32-25(36-24)33-19-6-3-17(4-7-19)16-41(2,39)40)21-10-8-20(9-11-21)34-26(38)35-23-15-18(27(29,30)31)5-12-22(23)28/h3-15H,16H2,1-2H3,(H,32,33,36)(H2,34,35,38)
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n/an/a 2n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinyl...


Bioorg Med Chem Lett 15: 3519-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.096
BindingDB Entry DOI: 10.7270/Q2KK990W
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5832
PNG
(3-{4-[methyl({2-[(3-sulfamoylphenyl)amino]pyrimidi...)
Show SMILES CN(c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C25H22F3N7O4S/c1-35(22-13-14-30-23(34-22)31-18-3-2-4-21(15-18)40(29,37)38)19-9-5-16(6-10-19)32-24(36)33-17-7-11-20(12-8-17)39-25(26,27)28/h2-15H,1H3,(H2,29,37,38)(H,30,31,34)(H2,32,33,36)
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n/an/a 2n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinyl...


Bioorg Med Chem Lett 15: 3519-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.096
BindingDB Entry DOI: 10.7270/Q2KK990W
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5833
PNG
(3-{4-[methyl({2-[(4-sulfamoylphenyl)amino]pyrimidi...)
Show SMILES CN(c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C25H22F3N7O4S/c1-35(22-14-15-30-23(34-22)31-16-6-12-21(13-7-16)40(29,37)38)19-8-2-17(3-9-19)32-24(36)33-18-4-10-20(11-5-18)39-25(26,27)28/h2-15H,1H3,(H2,29,37,38)(H,30,31,34)(H2,32,33,36)
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n/an/a 2n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinyl...


Bioorg Med Chem Lett 15: 3519-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.096
BindingDB Entry DOI: 10.7270/Q2KK990W
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5830
PNG
(1-(4-acetylphenyl)-3-{4-[(2-{[3-(methanesulfonylme...)
Show SMILES CN(c1ccc(NC(=O)Nc2ccc(cc2)C(C)=O)cc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
Show InChI InChI=1S/C28H28N6O4S/c1-19(35)21-7-9-22(10-8-21)31-28(36)32-23-11-13-25(14-12-23)34(2)26-15-16-29-27(33-26)30-24-6-4-5-20(17-24)18-39(3,37)38/h4-17H,18H2,1-3H3,(H,29,30,33)(H2,31,32,36)
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n/an/a 3n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinyl...


Bioorg Med Chem Lett 15: 3519-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.096
BindingDB Entry DOI: 10.7270/Q2KK990W
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5844
PNG
(3-{4-[(2-{[4-(methanesulfonylmethyl)phenyl]amino}p...)
Show SMILES CN(c1ccc(NC(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1
Show InChI InChI=1S/C32H38N8O3S/c1-38-18-20-40(21-19-38)22-24-4-8-27(9-5-24)35-32(41)36-28-12-14-29(15-13-28)39(2)30-16-17-33-31(37-30)34-26-10-6-25(7-11-26)23-44(3,42)43/h4-17H,18-23H2,1-3H3,(H,33,34,37)(H2,35,36,41)
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n/an/a 4n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinyl...


Bioorg Med Chem Lett 15: 3519-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.096
BindingDB Entry DOI: 10.7270/Q2KK990W
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50195876
PNG
(3-(4-amino-3-{4-[3-(2-fluoro-5-trifluoromethyl-phe...)
Show SMILES Nc1ncc(-c2cccc(c2)S(N)(=O)=O)c2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C27H19F4N5O4S/c28-21-9-6-16(27(29,30)31)11-22(21)36-26(37)35-17-7-4-14(5-8-17)20-13-40-24-19(12-34-25(32)23(20)24)15-2-1-3-18(10-15)41(33,38)39/h1-13H,(H2,32,34)(H2,33,38,39)(H2,35,36,37)
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n/an/a 4.20n/an/an/an/an/an/a



GlaxoSmithKline K.K.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-6XHis-VEGFR2 by HTRF method


Bioorg Med Chem Lett 17: 250-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.050
BindingDB Entry DOI: 10.7270/Q2SB45D5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5831
PNG
(3-{4-[(2-{[3-(methanesulfonylmethyl)phenyl]amino}p...)
Show SMILES CN(c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
Show InChI InChI=1S/C27H25F3N6O4S/c1-36(24-14-15-31-25(35-24)32-21-5-3-4-18(16-21)17-41(2,38)39)22-10-6-19(7-11-22)33-26(37)34-20-8-12-23(13-9-20)40-27(28,29)30/h3-16H,17H2,1-2H3,(H,31,32,35)(H2,33,34,37)
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n/an/a 6n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinyl...


Bioorg Med Chem Lett 15: 3519-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.096
BindingDB Entry DOI: 10.7270/Q2KK990W
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM15006
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H14F3N5O2/c21-20(22,23)12-2-1-3-14(8-12)28-19(29)27-13-6-4-11(5-7-13)15-9-30-18-16(15)17(24)25-10-26-18/h1-10H,(H2,24,25,26)(H2,27,28,29)
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n/an/a 7.08n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM15003
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H13F4N5O2/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
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n/an/a 7.76n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM15006
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H14F3N5O2/c21-20(22,23)12-2-1-3-14(8-12)28-19(29)27-13-6-4-11(5-7-13)15-9-30-18-16(15)17(24)25-10-26-18/h1-10H,(H2,24,25,26)(H2,27,28,29)
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n/an/a 10.2n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5835
PNG
(3-{4-[(2-{[3-(methanesulfonylmethyl)phenyl]amino}p...)
Show SMILES CN(c1ccc(NC(=O)NCCc2ccccc2)cc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
Show InChI InChI=1S/C28H30N6O3S/c1-34(25-13-11-23(12-14-25)32-28(35)30-17-15-21-7-4-3-5-8-21)26-16-18-29-27(33-26)31-24-10-6-9-22(19-24)20-38(2,36)37/h3-14,16,18-19H,15,17,20H2,1-2H3,(H,29,31,33)(H2,30,32,35)
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n/an/a 11n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinyl...


Bioorg Med Chem Lett 15: 3519-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.096
BindingDB Entry DOI: 10.7270/Q2KK990W
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM15003
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H13F4N5O2/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
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n/an/a 13.5n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50195878
PNG
(1-(4-(4-amino-7-phenylfuro[3,2-c]pyridin-3-yl)phen...)
Show SMILES Nc1ncc(-c2ccccc2)c2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C27H18F4N4O2/c28-21-11-8-17(27(29,30)31)12-22(21)35-26(36)34-18-9-6-16(7-10-18)20-14-37-24-19(13-33-25(32)23(20)24)15-4-2-1-3-5-15/h1-14H,(H2,32,33)(H2,34,35,36)
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n/an/a 14n/an/an/an/an/an/a



GlaxoSmithKline K.K.

Curated by ChEMBL


Assay Description
Inhibition of human EphB4 by scintillation proximity method


Bioorg Med Chem Lett 17: 250-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.050
BindingDB Entry DOI: 10.7270/Q2SB45D5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5815
PNG
(3-{4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimi...)
Show SMILES COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C27H19F4N5O3/c1-38-18-9-4-15(5-10-18)23-21(22-24(32)33-13-34-25(22)39-23)14-2-7-17(8-3-14)35-26(37)36-20-12-16(27(29,30)31)6-11-19(20)28/h2-13H,1H3,(H2,32,33,34)(H2,35,36,37)
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n/an/a 15.5n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5836
PNG
(3-ethyl-1-{4-[(2-{[3-(methanesulfonylmethyl)phenyl...)
Show SMILES CCNC(=O)Nc1ccc(cc1)N(C)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
Show InChI InChI=1S/C22H26N6O3S/c1-4-23-22(29)26-17-8-10-19(11-9-17)28(2)20-12-13-24-21(27-20)25-18-7-5-6-16(14-18)15-32(3,30)31/h5-14H,4,15H2,1-3H3,(H2,23,26,29)(H,24,25,27)
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n/an/a 17n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinyl...


Bioorg Med Chem Lett 15: 3519-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.096
BindingDB Entry DOI: 10.7270/Q2KK990W
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50195876
PNG
(3-(4-amino-3-{4-[3-(2-fluoro-5-trifluoromethyl-phe...)
Show SMILES Nc1ncc(-c2cccc(c2)S(N)(=O)=O)c2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C27H19F4N5O4S/c28-21-9-6-16(27(29,30)31)11-22(21)36-26(37)35-17-7-4-14(5-8-17)20-13-40-24-19(12-34-25(32)23(20)24)15-2-1-3-18(10-15)41(33,38)39/h1-13H,(H2,32,34)(H2,33,38,39)(H2,35,36,37)
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n/an/a 17n/an/an/an/an/an/a



GlaxoSmithKline K.K.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-Tie2 by HTRF method


Bioorg Med Chem Lett 17: 250-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.050
BindingDB Entry DOI: 10.7270/Q2SB45D5
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50195879
PNG
(3-(4-amino-3-(3-chloro-4-fluorophenyl)thieno[3,2-c...)
Show SMILES Nc1ncc(-c2cccc(c2)S(N)(=O)=O)c2scc(-c3ccc(F)c(Cl)c3)c12
Show InChI InChI=1S/C19H13ClFN3O2S2/c20-15-7-11(4-5-16(15)21)14-9-27-18-13(8-24-19(22)17(14)18)10-2-1-3-12(6-10)28(23,25)26/h1-9H,(H2,22,24)(H2,23,25,26)
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n/an/a 21n/an/an/an/an/an/a



GlaxoSmithKline K.K.

Curated by ChEMBL


Assay Description
Inhibition of human EphB4 by scintillation proximity method


Bioorg Med Chem Lett 17: 250-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.050
BindingDB Entry DOI: 10.7270/Q2SB45D5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM15010
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-n...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4ccc5ccccc5c4)cc3)c12
Show InChI InChI=1S/C23H17N5O2/c24-21-20-19(12-30-22(20)26-13-25-21)15-6-8-17(9-7-15)27-23(29)28-18-10-5-14-3-1-2-4-16(14)11-18/h1-13H,(H2,24,25,26)(H2,27,28,29)
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n/an/a 24.0n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5837
PNG
(3-ethyl-1-{4-[(2-{[4-(methanesulfonylmethyl)phenyl...)
Show SMILES CCNC(=O)Nc1ccc(cc1)N(C)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1
Show InChI InChI=1S/C22H26N6O3S/c1-4-23-22(29)26-18-9-11-19(12-10-18)28(2)20-13-14-24-21(27-20)25-17-7-5-16(6-8-17)15-32(3,30)31/h5-14H,4,15H2,1-3H3,(H2,23,26,29)(H,24,25,27)
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n/an/a 26n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinyl...


Bioorg Med Chem Lett 15: 3519-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.096
BindingDB Entry DOI: 10.7270/Q2KK990W
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5838
PNG
(3-butyl-1-{4-[(2-{[3-(methanesulfonylmethyl)phenyl...)
Show SMILES CCCCNC(=O)Nc1ccc(cc1)N(C)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
Show InChI InChI=1S/C24H30N6O3S/c1-4-5-14-26-24(31)28-19-9-11-21(12-10-19)30(2)22-13-15-25-23(29-22)27-20-8-6-7-18(16-20)17-34(3,32)33/h6-13,15-16H,4-5,14,17H2,1-3H3,(H,25,27,29)(H2,26,28,31)
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n/an/a 29n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinyl...


Bioorg Med Chem Lett 15: 3519-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.096
BindingDB Entry DOI: 10.7270/Q2KK990W
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50195878
PNG
(1-(4-(4-amino-7-phenylfuro[3,2-c]pyridin-3-yl)phen...)
Show SMILES Nc1ncc(-c2ccccc2)c2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C27H18F4N4O2/c28-21-11-8-17(27(29,30)31)12-22(21)35-26(36)34-18-9-6-16(7-10-18)20-14-37-24-19(13-33-25(32)23(20)24)15-4-2-1-3-5-15/h1-14H,(H2,32,33)(H2,34,35,36)
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n/an/a 30n/an/an/an/an/an/a



GlaxoSmithKline K.K.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-6XHis-VEGFR2 by HTRF method


Bioorg Med Chem Lett 17: 250-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.050
BindingDB Entry DOI: 10.7270/Q2SB45D5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5839
PNG
(3-cyclopentyl-1-{4-[(2-{[3-(methanesulfonylmethyl)...)
Show SMILES CN(c1ccc(NC(=O)NC2CCCC2)cc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
Show InChI InChI=1S/C25H30N6O3S/c1-31(22-12-10-20(11-13-22)29-25(32)28-19-7-3-4-8-19)23-14-15-26-24(30-23)27-21-9-5-6-18(16-21)17-35(2,33)34/h5-6,9-16,19H,3-4,7-8,17H2,1-2H3,(H,26,27,30)(H2,28,29,32)
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n/an/a 31n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinyl...


Bioorg Med Chem Lett 15: 3519-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.096
BindingDB Entry DOI: 10.7270/Q2KK990W
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5826
PNG
(1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-{4-[(2-{[...)
Show SMILES CN(c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
Show InChI InChI=1S/C27H24F4N6O3S/c1-37(24-12-13-32-25(36-24)33-20-5-3-4-17(14-20)16-41(2,39)40)21-9-7-19(8-10-21)34-26(38)35-23-15-18(27(29,30)31)6-11-22(23)28/h3-15H,16H2,1-2H3,(H,32,33,36)(H2,34,35,38)
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n/an/a 35n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinyl...


Bioorg Med Chem Lett 15: 3519-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.096
BindingDB Entry DOI: 10.7270/Q2KK990W
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50195888
PNG
(2-(3-(4-amino-3-(3-chloro-4-fluorophenyl)thieno[3,...)
Show SMILES NC(=O)Cc1cccc(c1)-c1cnc(N)c2c(csc12)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C21H15ClFN3OS/c22-16-8-13(4-5-17(16)23)15-10-28-20-14(9-26-21(25)19(15)20)12-3-1-2-11(6-12)7-18(24)27/h1-6,8-10H,7H2,(H2,24,27)(H2,25,26)
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n/an/a 44n/an/an/an/an/an/a



GlaxoSmithKline K.K.

Curated by ChEMBL


Assay Description
Inhibition of human EphB4 by scintillation proximity method


Bioorg Med Chem Lett 17: 250-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.050
BindingDB Entry DOI: 10.7270/Q2SB45D5
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50195878
PNG
(1-(4-(4-amino-7-phenylfuro[3,2-c]pyridin-3-yl)phen...)
Show SMILES Nc1ncc(-c2ccccc2)c2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C27H18F4N4O2/c28-21-11-8-17(27(29,30)31)12-22(21)35-26(36)34-18-9-6-16(7-10-18)20-14-37-24-19(13-33-25(32)23(20)24)15-4-2-1-3-5-15/h1-14H,(H2,32,33)(H2,34,35,36)
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n/an/a 46n/an/an/an/an/an/a



GlaxoSmithKline K.K.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-Tie2 by HTRF method


Bioorg Med Chem Lett 17: 250-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.050
BindingDB Entry DOI: 10.7270/Q2SB45D5
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50195877
PNG
(3-(3-chloro-4-fluorophenyl)-7-(pyridin-3-yl)thieno...)
Show SMILES Nc1ncc(-c2cccnc2)c2scc(-c3ccc(F)c(Cl)c3)c12
Show InChI InChI=1S/C18H11ClFN3S/c19-14-6-10(3-4-15(14)20)13-9-24-17-12(8-23-18(21)16(13)17)11-2-1-5-22-7-11/h1-9H,(H2,21,23)
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n/an/a 51n/an/an/an/an/an/a



GlaxoSmithKline K.K.

Curated by ChEMBL


Assay Description
Inhibition of human EphB4 by scintillation proximity method


Bioorg Med Chem Lett 17: 250-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.050
BindingDB Entry DOI: 10.7270/Q2SB45D5
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50195892
PNG
(3-(3-chloro-4-fluorophenyl)-7-(3-(methylsulfonyl)p...)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cnc(N)c2c(csc12)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C20H14ClFN2O2S2/c1-28(25,26)13-4-2-3-11(7-13)14-9-24-20(23)18-15(10-27-19(14)18)12-5-6-17(22)16(21)8-12/h2-10H,1H3,(H2,23,24)
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n/an/a 59n/an/an/an/an/an/a



GlaxoSmithKline K.K.

Curated by ChEMBL


Assay Description
Inhibition of human EphB4 by scintillation proximity method


Bioorg Med Chem Lett 17: 250-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.050
BindingDB Entry DOI: 10.7270/Q2SB45D5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5834
PNG
(1-(2,6-dichlorophenyl)-3-{4-[(2-{[3-(methanesulfon...)
Show SMILES CN(c1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
Show InChI InChI=1S/C26H24Cl2N6O3S/c1-34(20-11-9-18(10-12-20)31-26(35)33-24-21(27)7-4-8-22(24)28)23-13-14-29-25(32-23)30-19-6-3-5-17(15-19)16-38(2,36)37/h3-15H,16H2,1-2H3,(H,29,30,32)(H2,31,33,35)
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n/an/a 65n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinyl...


Bioorg Med Chem Lett 15: 3519-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.096
BindingDB Entry DOI: 10.7270/Q2KK990W
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM15010
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-n...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4ccc5ccccc5c4)cc3)c12
Show InChI InChI=1S/C23H17N5O2/c24-21-20-19(12-30-22(20)26-13-25-21)15-6-8-17(9-7-15)27-23(29)28-18-10-5-14-3-1-2-4-16(14)11-18/h1-13H,(H2,24,25,26)(H2,27,28,29)
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n/an/a 81.3n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50195884
PNG
(3-(3-chloro-4-fluorophenyl)-7-(3,4,5-trimethoxyphe...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c2c(csc12)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C22H18ClFN2O3S/c1-27-17-7-12(8-18(28-2)20(17)29-3)13-9-26-22(25)19-14(10-30-21(13)19)11-4-5-16(24)15(23)6-11/h4-10H,1-3H3,(H2,25,26)
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n/an/a 110n/an/an/an/an/an/a



GlaxoSmithKline K.K.

Curated by ChEMBL


Assay Description
Inhibition of human EphB4 by scintillation proximity method


Bioorg Med Chem Lett 17: 250-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.050
BindingDB Entry DOI: 10.7270/Q2SB45D5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM15004
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C21H13F6N5O2/c22-20(23,24)11-5-12(21(25,26)27)7-14(6-11)32-19(33)31-13-3-1-10(2-4-13)15-8-34-18-16(15)17(28)29-9-30-18/h1-9H,(H2,28,29,30)(H2,31,32,33)
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n/an/a 138n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5845
PNG
(3-{4-[(2-{[4-(methanesulfonylmethyl)phenyl]amino}p...)
Show SMILES CN(c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCN(C)CC2)cc1)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1
Show InChI InChI=1S/C32H36N8O4S/c1-38-18-20-40(21-19-38)30(41)24-6-10-26(11-7-24)35-32(42)36-27-12-14-28(15-13-27)39(2)29-16-17-33-31(37-29)34-25-8-4-23(5-9-25)22-45(3,43)44/h4-17H,18-22H2,1-3H3,(H,33,34,37)(H2,35,36,42)
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n/an/a 150n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinyl...


Bioorg Med Chem Lett 15: 3519-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.096
BindingDB Entry DOI: 10.7270/Q2KK990W
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM15009
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-n...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc5ccccc45)cc3)c12
Show InChI InChI=1S/C23H17N5O2/c24-21-20-18(12-30-22(20)26-13-25-21)15-8-10-16(11-9-15)27-23(29)28-19-7-3-5-14-4-1-2-6-17(14)19/h1-13H,(H2,24,25,26)(H2,27,28,29)
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n/an/a 182n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM15007
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(ccc4Cl)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H13ClF3N5O2/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
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n/an/a 186n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50195890
PNG
(3-(4-chlorophenyl)-7-(3,4,5-trimethoxyphenyl)thien...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c2c(csc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H19ClN2O3S/c1-26-17-8-13(9-18(27-2)20(17)28-3)15-10-25-22(24)19-16(11-29-21(15)19)12-4-6-14(23)7-5-12/h4-11H,1-3H3,(H2,24,25)
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n/an/a 190n/an/an/an/an/an/a



GlaxoSmithKline K.K.

Curated by ChEMBL


Assay Description
Inhibition of human EphB4 by scintillation proximity method


Bioorg Med Chem Lett 17: 250-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.050
BindingDB Entry DOI: 10.7270/Q2SB45D5
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM15007
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(ccc4Cl)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H13ClF3N5O2/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
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n/an/a 204n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM15008
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-(...)
Show SMILES COc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2coc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H16FN5O3/c1-28-13-6-7-15(21)16(8-13)26-20(27)25-12-4-2-11(3-5-12)14-9-29-19-17(14)18(22)23-10-24-19/h2-10H,1H3,(H2,22,23,24)(H2,25,26,27)
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n/an/a 224n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50195893
PNG
(3-(2,3-dichlorophenyl)-7-(3,4,5-trimethoxyphenyl)t...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc(N)c2c(csc12)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C22H18Cl2N2O3S/c1-27-16-7-11(8-17(28-2)20(16)29-3)13-9-26-22(25)18-14(10-30-21(13)18)12-5-4-6-15(23)19(12)24/h4-10H,1-3H3,(H2,25,26)
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n/an/a 230n/an/an/an/an/an/a



GlaxoSmithKline K.K.

Curated by ChEMBL


Assay Description
Inhibition of human EphB4 by scintillation proximity method


Bioorg Med Chem Lett 17: 250-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.050
BindingDB Entry DOI: 10.7270/Q2SB45D5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM15008
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-(...)
Show SMILES COc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2coc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H16FN5O3/c1-28-13-6-7-15(21)16(8-13)26-20(27)25-12-4-2-11(3-5-12)14-9-29-19-17(14)18(22)23-10-24-19/h2-10H,1H3,(H2,22,23,24)(H2,25,26,27)
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n/an/a 331n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM15004
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C21H13F6N5O2/c22-20(23,24)11-5-12(21(25,26)27)7-14(6-11)32-19(33)31-13-3-1-10(2-4-13)15-8-34-18-16(15)17(28)29-9-30-18/h1-9H,(H2,28,29,30)(H2,31,32,33)
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n/an/a 380n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50195885
PNG
(1-(4-(4-amino-7-(3-chlorophenyl)furo[3,2-c]pyridin...)
Show SMILES Nc1ncc(-c2cccc(Cl)c2)c2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C27H17ClF4N4O2/c28-17-3-1-2-15(10-17)19-12-34-25(33)23-20(13-38-24(19)23)14-4-7-18(8-5-14)35-26(37)36-22-11-16(27(30,31)32)6-9-21(22)29/h1-13H,(H2,33,34)(H2,35,36,37)
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n/an/a 389n/an/an/an/an/an/a



GlaxoSmithKline K.K.

Curated by ChEMBL


Assay Description
Inhibition of human EphB4 by scintillation proximity method


Bioorg Med Chem Lett 17: 250-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.050
BindingDB Entry DOI: 10.7270/Q2SB45D5
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM15005
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-(...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc(Oc5ccccc5)c4)cc3)c12
Show InChI InChI=1S/C25H19N5O3/c26-23-22-21(14-32-24(22)28-15-27-23)16-9-11-17(12-10-16)29-25(31)30-18-5-4-8-20(13-18)33-19-6-2-1-3-7-19/h1-15H,(H2,26,27,28)(H2,29,30,31)
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n/an/a 407n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM15009
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-n...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc5ccccc45)cc3)c12
Show InChI InChI=1S/C23H17N5O2/c24-21-20-18(12-30-22(20)26-13-25-21)15-8-10-16(11-9-15)27-23(29)28-19-7-3-5-14-4-1-2-6-17(14)19/h1-13H,(H2,24,25,26)(H2,27,28,29)
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n/an/a 447n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay uses purified GST-Tie-2 or GST-6x His-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium c...


Bioorg Med Chem Lett 17: 1773-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.077
BindingDB Entry DOI: 10.7270/Q2GM85JF
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50195883
PNG
(7-bromo-3-(3-chloro-4-fluorophenyl)thieno[3,2-c]py...)
Show SMILES Nc1ncc(Br)c2scc(-c3ccc(F)c(Cl)c3)c12
Show InChI InChI=1S/C13H7BrClFN2S/c14-8-4-18-13(17)11-7(5-19-12(8)11)6-1-2-10(16)9(15)3-6/h1-5H,(H2,17,18)
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n/an/a 575n/an/an/an/an/an/a



GlaxoSmithKline K.K.

Curated by ChEMBL


Assay Description
Inhibition of human EphB4 by scintillation proximity method


Bioorg Med Chem Lett 17: 250-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.050
BindingDB Entry DOI: 10.7270/Q2SB45D5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5840
PNG
(3-[2-(dimethylamino)ethyl]-1-{4-[(2-{[3-(methanesu...)
Show SMILES CN(C)CCNC(=O)Nc1ccc(cc1)N(C)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
Show InChI InChI=1S/C24H31N7O3S/c1-30(2)15-14-26-24(32)28-19-8-10-21(11-9-19)31(3)22-12-13-25-23(29-22)27-20-7-5-6-18(16-20)17-35(4,33)34/h5-13,16H,14-15,17H2,1-4H3,(H,25,27,29)(H2,26,28,32)
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n/an/a 681n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinyl...


Bioorg Med Chem Lett 15: 3519-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.096
BindingDB Entry DOI: 10.7270/Q2KK990W
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50195885
PNG
(1-(4-(4-amino-7-(3-chlorophenyl)furo[3,2-c]pyridin...)
Show SMILES Nc1ncc(-c2cccc(Cl)c2)c2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C27H17ClF4N4O2/c28-17-3-1-2-15(10-17)19-12-34-25(33)23-20(13-38-24(19)23)14-4-7-18(8-5-14)35-26(37)36-22-11-16(27(30,31)32)6-9-21(22)29/h1-13H,(H2,33,34)(H2,35,36,37)
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n/an/a 933n/an/an/an/an/an/a



GlaxoSmithKline K.K.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-6XHis-VEGFR2 by HTRF method


Bioorg Med Chem Lett 17: 250-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.050
BindingDB Entry DOI: 10.7270/Q2SB45D5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5842
PNG
(3-{4-[(2-{[4-(methanesulfonylmethyl)phenyl]amino}p...)
Show SMILES CN(c1ccc(NC(=O)NCCN2CCOCC2)cc1)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1
Show InChI InChI=1S/C26H33N7O4S/c1-32(23-9-7-22(8-10-23)30-26(34)28-13-14-33-15-17-37-18-16-33)24-11-12-27-25(31-24)29-21-5-3-20(4-6-21)19-38(2,35)36/h3-12H,13-19H2,1-2H3,(H,27,29,31)(H2,28,30,34)
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n/an/a 990n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinyl...


Bioorg Med Chem Lett 15: 3519-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.096
BindingDB Entry DOI: 10.7270/Q2KK990W
More data for this
Ligand-Target Pair
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