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Compile Data Set for Download or QSAR

Found 211 hits with Last Name = 'miyazaki' and Initial = 'y'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50389606
PNG
(CHEMBL2069625)
Show SMILES Cc1oc(nc1COc1cccc(CO)c1)-c1ccccc1
Show InChI InChI=1S/C18H17NO3/c1-13-17(12-21-16-9-5-6-14(10-16)11-20)19-18(22-13)15-7-3-2-4-8-15/h2-10,20H,11-12H2,1H3
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2.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human unphosphorylated N-terminal-His6 tagged VEGFR2 catalytic domain using 5-FAM-EEPLYWSFPAKKK-CONH2 as substrate after 60 mins by mob...


ACS Med Chem Lett 3: 342-346 (2012)


Article DOI: 10.1021/ml3000403
BindingDB Entry DOI: 10.7270/Q2FN1782
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Angiopoietin-1 receptor


(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 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: 2203-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.034
BindingDB Entry DOI: 10.7270/Q2QC01P9
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 3n/an/an/an/an/an/a



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: 2203-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.034
BindingDB Entry DOI: 10.7270/Q2QC01P9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8574
PNG
(4-Acylamino-6-arylfuro[2,3-d]pyrimidine 19 | N-[6-...)
Show SMILES O=C(Nc1ncnc2oc(cc12)-c1cccnc1)C1CC1
Show InChI InChI=1S/C15H12N4O2/c20-14(9-3-4-9)19-13-11-6-12(10-2-1-5-16-7-10)21-15(11)18-8-17-13/h1-2,5-9H,3-4H2,(H,17,18,19,20)
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n/an/a 5n/an/an/an/a7.222



Tsukuba Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...


Bioorg Med Chem Lett 14: 3907-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.064
BindingDB Entry DOI: 10.7270/Q2XD0ZWC
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5825
PNG
(3-{4-[methyl({2-[(3-sulfamoylphenyl)amino]pyrimidi...)
Show SMILES CN(c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C24H23N7O3S/c1-31(20-12-10-18(11-13-20)29-24(32)28-17-6-3-2-4-7-17)22-14-15-26-23(30-22)27-19-8-5-9-21(16-19)35(25,33)34/h2-16H,1H3,(H2,25,33,34)(H,26,27,30)(H2,28,29,32)
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n/an/a 5n/an/an/an/an/an/a



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: 2203-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.034
BindingDB Entry DOI: 10.7270/Q2QC01P9
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50184499
PNG
(CHEMBL208638 | N-(2-(3-(4-(aminomethyl)phenyl)prop...)
Show SMILES NCc1ccc(CCCNCCNS(=O)(=O)c2ccc3ccccc3c2Cl)cc1
Show InChI InChI=1S/C22H26ClN3O2S/c23-22-20-6-2-1-5-19(20)11-12-21(22)29(27,28)26-15-14-25-13-3-4-17-7-9-18(16-24)10-8-17/h1-2,5-12,25-26H,3-4,13-16,24H2
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n/an/a 5n/an/an/an/an/an/a



Mochida Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 2986-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.064
BindingDB Entry DOI: 10.7270/Q2QC0322
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8579
PNG
(4-Acylamino-6-arylfuro[2,3-d]pyrimidine 24 | N-[6-...)
Show SMILES O=C(Nc1ncnc2oc(cc12)-c1cccnc1)C1CCCC1
Show InChI InChI=1S/C17H16N4O2/c22-16(11-4-1-2-5-11)21-15-13-8-14(12-6-3-7-18-9-12)23-17(13)20-10-19-15/h3,6-11H,1-2,4-5H2,(H,19,20,21,22)
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n/an/a 5n/an/an/an/a7.222



Tsukuba Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...


Bioorg Med Chem Lett 14: 3907-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.064
BindingDB Entry DOI: 10.7270/Q2XD0ZWC
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
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)
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5819
PNG
(3-{4-[(2-{[3-(methanesulfonylmethyl)phenyl]amino}p...)
Show SMILES CN(c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
Show InChI InChI=1S/C26H26N6O3S/c1-32(23-13-11-21(12-14-23)30-26(33)29-20-8-4-3-5-9-20)24-15-16-27-25(31-24)28-22-10-6-7-19(17-22)18-36(2,34)35/h3-17H,18H2,1-2H3,(H,27,28,31)(H2,29,30,33)
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n/an/a 18n/an/an/an/an/an/a



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: 2203-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.034
BindingDB Entry DOI: 10.7270/Q2QC01P9
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
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM5816
PNG
(3-{4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimi...)
Show SMILES COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H20ClN5O3/c1-34-20-12-4-16(5-13-20)23-21(22-24(28)29-14-30-25(22)35-23)15-2-8-18(9-3-15)31-26(33)32-19-10-6-17(27)7-11-19/h2-14H,1H3,(H2,28,29,30)(H2,31,32,33)
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n/an/a 22n/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: 2203-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.034
BindingDB Entry DOI: 10.7270/Q2QC01P9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50373018
PNG
(CHEMBL404507)
Show SMILES Nc1ncnc2oc(c(-c3ccc(NS(=O)(=O)c4cccs4)cc3)c12)-c1cccnc1
Show InChI InChI=1S/C21H15N5O3S2/c22-20-18-17(19(14-3-1-9-23-11-14)29-21(18)25-12-24-20)13-5-7-15(8-6-13)26-31(27,28)16-4-2-10-30-16/h1-12,26H,(H2,22,24,25)
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n/an/a 23n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta by fluorescence anisotropy binding assay


Bioorg Med Chem Lett 18: 1967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.113
BindingDB Entry DOI: 10.7270/Q2PR7WV1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8575
PNG
(4-Acylamino-6-arylfuro[2,3-d]pyrimidine 20 | N-{6-...)
Show SMILES O=C(Nc1ncnc2oc(cc12)-c1ccccc1)C1CCCC1
Show InChI InChI=1S/C18H17N3O2/c22-17(13-8-4-5-9-13)21-16-14-10-15(12-6-2-1-3-7-12)23-18(14)20-11-19-16/h1-3,6-7,10-11,13H,4-5,8-9H2,(H,19,20,21,22)
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n/an/a 23n/an/an/an/a7.222



Tsukuba Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...


Bioorg Med Chem Lett 14: 3907-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.064
BindingDB Entry DOI: 10.7270/Q2XD0ZWC
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
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM5814
PNG
(3-{4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimi...)
Show SMILES COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C26H21N5O3/c1-33-20-13-9-17(10-14-20)23-21(22-24(27)28-15-29-25(22)34-23)16-7-11-19(12-8-16)31-26(32)30-18-5-3-2-4-6-18/h2-15H,1H3,(H2,27,28,29)(H2,30,31,32)
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n/an/a 28n/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: 2203-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.034
BindingDB Entry DOI: 10.7270/Q2QC01P9
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50373013
PNG
(CHEMBL258081)
Show SMILES Nc1ncnc2oc(c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)c12)-c1cccnc1
Show InChI InChI=1S/C23H17N5O3S/c24-22-20-19(21(16-5-4-12-25-13-16)31-23(20)27-14-26-22)15-8-10-17(11-9-15)28-32(29,30)18-6-2-1-3-7-18/h1-14,28H,(H2,24,26,27)
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n/an/a 30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human GSK3-beta by fluorescence anisotropy binding assay


Bioorg Med Chem Lett 18: 1967-71 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.113
BindingDB Entry DOI: 10.7270/Q2PR7WV1
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8563
PNG
(4-Acylamino-6-arylfuro[2,3-d]pyrimidine 8 | N-[6-(...)
Show SMILES COc1ccc(cc1)-c1cc2c(NC(=O)C3CCCC3)ncnc2o1
Show InChI InChI=1S/C19H19N3O3/c1-24-14-8-6-12(7-9-14)16-10-15-17(20-11-21-19(15)25-16)22-18(23)13-4-2-3-5-13/h6-11,13H,2-5H2,1H3,(H,20,21,22,23)
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n/an/a 32n/an/an/an/a7.222



Tsukuba Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...


Bioorg Med Chem Lett 14: 3907-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.064
BindingDB Entry DOI: 10.7270/Q2XD0ZWC
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5810
PNG
(N-{3-[4-amino-5-(4-phenylphenyl)furo[2,3-d]pyrimid...)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1oc2ncnc(N)c2c1-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H20N4O3S/c1-33(30,31)29-20-9-5-8-19(14-20)23-21(22-24(26)27-15-28-25(22)32-23)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-15,29H,1H3,(H2,26,27,28)
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n/an/a 36n/an/an/an/an/an/a



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: 2203-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.034
BindingDB Entry DOI: 10.7270/Q2QC01P9
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
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM16127
PNG
(2,2 -methanediylbis(1H-benzimidazole-6-carboximida...)
Show SMILES NC(=N)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=N)[nH]c2c1
Show InChI InChI=1S/C17H16N8/c18-16(19)8-1-3-10-12(5-8)24-14(22-10)7-15-23-11-4-2-9(17(20)21)6-13(11)25-15/h1-6H,7H2,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)
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n/an/a 51n/an/an/an/an/an/a



Mochida Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 2986-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.064
BindingDB Entry DOI: 10.7270/Q2QC0322
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5818
PNG
(furo[2,3-d]pyrimidine deriv. 7n | {4-[4-amino-6-(4...)
Show SMILES COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(N)=O)cc1
Show InChI InChI=1S/C20H17N5O3/c1-27-14-8-4-12(5-9-14)17-15(16-18(21)23-10-24-19(16)28-17)11-2-6-13(7-3-11)25-20(22)26/h2-10H,1H3,(H2,21,23,24)(H3,22,25,26)
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n/an/a 58n/an/an/an/an/an/a



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: 2203-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.034
BindingDB Entry DOI: 10.7270/Q2QC01P9
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM5817
PNG
(3-{4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimi...)
Show SMILES COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(=O)NC2CCCCC2)cc1
Show InChI InChI=1S/C26H27N5O3/c1-33-20-13-9-17(10-14-20)23-21(22-24(27)28-15-29-25(22)34-23)16-7-11-19(12-8-16)31-26(32)30-18-5-3-2-4-6-18/h7-15,18H,2-6H2,1H3,(H2,27,28,29)(H2,30,31,32)
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n/an/a 59n/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: 2203-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.034
BindingDB Entry DOI: 10.7270/Q2QC01P9
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))
BDBM5814
PNG
(3-{4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimi...)
Show SMILES COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C26H21N5O3/c1-33-20-13-9-17(10-14-20)23-21(22-24(27)28-15-29-25(22)34-23)16-7-11-19(12-8-16)31-26(32)30-18-5-3-2-4-6-18/h2-15H,1H3,(H2,27,28,29)(H2,30,31,32)
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n/an/a 62n/an/an/an/an/an/a



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: 2203-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.034
BindingDB Entry DOI: 10.7270/Q2QC01P9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5808
PNG
(N-{3-[4-amino-5-(4-methoxyphenyl)furo[2,3-d]pyrimi...)
Show SMILES COc1ccc(cc1)-c1c(oc2ncnc(N)c12)-c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C20H18N4O4S/c1-27-15-8-6-12(7-9-15)16-17-19(21)22-11-23-20(17)28-18(16)13-4-3-5-14(10-13)24-29(2,25)26/h3-11,24H,1-2H3,(H2,21,22,23)
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n/an/a 65n/an/an/an/an/an/a



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: 2203-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.034
BindingDB Entry DOI: 10.7270/Q2QC01P9
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50184504
PNG
(CHEMBL380668 | N-(2-(3-(4-(aminomethyl)phenyl)prop...)
Show SMILES NCc1ccc(CCCNCCNS(=O)(=O)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C22H27N3O2S/c23-17-19-9-7-18(8-10-19)4-3-13-24-14-15-25-28(26,27)22-12-11-20-5-1-2-6-21(20)16-22/h1-2,5-12,16,24-25H,3-4,13-15,17,23H2
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n/an/a 73n/an/an/an/an/an/a



Mochida Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 2986-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.064
BindingDB Entry DOI: 10.7270/Q2QC0322
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8558
PNG
(6-(4-methoxyphenyl)-5-(pyridin-3-yl)furo[2,3-d]pyr...)
Show SMILES COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1cccnc1
Show InChI InChI=1S/C18H14N4O2/c1-23-13-6-4-11(5-7-13)16-14(12-3-2-8-20-9-12)15-17(19)21-10-22-18(15)24-16/h2-10H,1H3,(H2,19,21,22)
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n/an/a 81n/an/an/an/a7.222



Tsukuba Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...


Bioorg Med Chem Lett 14: 3907-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.064
BindingDB Entry DOI: 10.7270/Q2XD0ZWC
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5821
PNG
(phenyl N-{4-[(2-{[3-(methanesulfonylmethyl)phenyl]...)
Show SMILES CN(c1ccc(NC(=O)Oc2ccccc2)cc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
Show InChI InChI=1S/C26H25N5O4S/c1-31(22-13-11-20(12-14-22)29-26(32)35-23-9-4-3-5-10-23)24-15-16-27-25(30-24)28-21-8-6-7-19(17-21)18-36(2,33)34/h3-17H,18H2,1-2H3,(H,29,32)(H,27,28,30)
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n/an/a 95n/an/an/an/an/an/a



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: 2203-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.034
BindingDB Entry DOI: 10.7270/Q2QC01P9
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))
BDBM5822
PNG
(3-{4-[(2-{[3-(methanesulfonylmethyl)phenyl]amino}p...)
Show SMILES CN(c1ccc(NC(=S)Nc2ccccc2)cc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
Show InChI InChI=1S/C26H26N6O2S2/c1-32(23-13-11-21(12-14-23)30-26(35)29-20-8-4-3-5-9-20)24-15-16-27-25(31-24)28-22-10-6-7-19(17-22)18-36(2,33)34/h3-17H,18H2,1-2H3,(H,27,28,31)(H2,29,30,35)
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n/an/a 117n/an/an/an/an/an/a



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: 2203-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.034
BindingDB Entry DOI: 10.7270/Q2QC01P9
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50184505
PNG
(CHEMBL415045 | N-(2-((3-(4-(aminomethyl)phenyl)pro...)
Show SMILES CN(CCCc1ccc(CN)cc1)CCNS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H29N3O2S/c1-26(15-4-5-19-8-10-20(18-24)11-9-19)16-14-25-29(27,28)23-13-12-21-6-2-3-7-22(21)17-23/h2-3,6-13,17,25H,4-5,14-16,18,24H2,1H3
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n/an/a 120n/an/an/an/an/an/a



Mochida Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 2986-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.064
BindingDB Entry DOI: 10.7270/Q2QC0322
More data for this
Ligand-Target Pair
Dimer of Tryptase beta-2


(Homo sapiens (Human))
BDBM50184508
PNG
(CHEMBL207193 | N-(2-(3-(4-(aminomethyl)phenyl)prop...)
Show SMILES NCc1ccc(CCCNCCNS(=O)(=O)c2cc3ccccc3s2)cc1
Show InChI InChI=1S/C20H25N3O2S2/c21-15-17-9-7-16(8-10-17)4-3-11-22-12-13-23-27(24,25)20-14-18-5-1-2-6-19(18)26-20/h1-2,5-10,14,22-23H,3-4,11-13,15,21H2
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n/an/a 130n/an/an/an/an/an/a



Mochida Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human beta tryptase


Bioorg Med Chem Lett 16: 2986-90 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.064
BindingDB Entry DOI: 10.7270/Q2QC0322
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8561
PNG
(4-Acylamino-6-arylfuro[2,3-d]pyrimidine 6 | N-[6-(...)
Show SMILES COc1ccc(cc1)-c1cc2c(NC(=O)C(C)C)ncnc2o1
Show InChI InChI=1S/C17H17N3O3/c1-10(2)16(21)20-15-13-8-14(23-17(13)19-9-18-15)11-4-6-12(22-3)7-5-11/h4-10H,1-3H3,(H,18,19,20,21)
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n/an/a 132n/an/an/an/a7.222



Tsukuba Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...


Bioorg Med Chem Lett 14: 3907-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.064
BindingDB Entry DOI: 10.7270/Q2XD0ZWC
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8570
PNG
(4-Acylamino-6-arylfuro[2,3-d]pyrimidine 15 | N-{6-...)
Show SMILES O=C(Nc1ncnc2oc(cc12)-c1ccccc1)C1CC1
Show InChI InChI=1S/C16H13N3O2/c20-15(11-6-7-11)19-14-12-8-13(10-4-2-1-3-5-10)21-16(12)18-9-17-14/h1-5,8-9,11H,6-7H2,(H,17,18,19,20)
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n/an/a 174n/an/an/an/a7.222



Tsukuba Research Laboratories



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzyme and substrate in the presence 2.5 uM ATP/ [gamma-32P] ATP. Af...


Bioorg Med Chem Lett 14: 3907-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.064
BindingDB Entry DOI: 10.7270/Q2XD0ZWC
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5820
PNG
(N-{4-[(2-{[3-(methanesulfonylmethyl)phenyl]amino}p...)
Show SMILES CN(c1ccc(NC(=O)Cc2ccccc2)cc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
Show InChI InChI=1S/C27H27N5O3S/c1-32(24-13-11-22(12-14-24)29-26(33)18-20-7-4-3-5-8-20)25-15-16-28-27(31-25)30-23-10-6-9-21(17-23)19-36(2,34)35/h3-17H,18-19H2,1-2H3,(H,29,33)(H,28,30,31)
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n/an/a 176n/an/an/an/an/an/a



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: 2203-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.034
BindingDB Entry DOI: 10.7270/Q2QC01P9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5806
PNG
(3-[4-amino-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin...)
Show SMILES COc1ccc(cc1)-c1c(oc2ncnc(N)c12)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C20H16N4O3/c1-26-14-7-5-11(6-8-14)15-16-18(21)23-10-24-20(16)27-17(15)12-3-2-4-13(9-12)19(22)25/h2-10H,1H3,(H2,22,25)(H2,21,23,24)
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n/an/a 180n/an/an/an/an/an/a



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: 2203-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.034
BindingDB Entry DOI: 10.7270/Q2QC01P9
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
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