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Compile Data Set for Download or QSAR

Found 473 hits with Last Name = 'thomas' and Initial = 'ap'   
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))
BDBM4683
PNG
(4-Anilinoquinazoline 30 | N-(4-bromo-2-fluoropheny...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OC[C@@H]1CCCN(C)C1
Show InChI InChI=1/C22H24BrFN4O2/c1-28-7-3-4-14(11-28)12-30-21-10-19-16(9-20(21)29-2)22(26-13-25-19)27-18-6-5-15(23)8-17(18)24/h5-6,8-10,13-14H,3-4,7,11-12H2,1-2H3,(H,25,26,27)/t14-/s2
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n/an/a 1n/an/an/an/an/a25



AstraZeneca



Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room...


J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1021/jm011022e
BindingDB Entry DOI: 10.7270/Q29C6VMW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50263028
PNG
(4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimi...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1
Show InChI InChI=1S/C20H26N6O3S/c1-14(2)26-15(3)22-13-19(26)18-9-10-21-20(25-18)24-16-5-7-17(8-6-16)30(27,28)23-11-12-29-4/h5-10,13-14,23H,11-12H2,1-4H3,(H,21,24,25)
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4633
PNG
(2-chloro-4-fluoro-5-{[6-methoxy-7-(2-methoxyethoxy...)
Show SMILES COCCOc1cc2nccc(Nc3cc(O)c(Cl)cc3F)c2cc1OC
Show InChI InChI=1S/C19H18ClFN2O4/c1-25-5-6-27-19-10-15-11(7-18(19)26-2)14(3-4-22-15)23-16-9-17(24)12(20)8-13(16)21/h3-4,7-10,24H,5-6H2,1-2H3,(H,22,23)
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n/an/a<2n/an/an/an/an/a25



AstraZeneca



Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room...


J Med Chem 42: 5369-89 (1999)


Article DOI: 10.1021/jm990345w
BindingDB Entry DOI: 10.7270/Q2F47MBM
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4630
PNG
(2-chloro-4-fluoro-5-{[6-methoxy-7-(2-methoxyethoxy...)
Show SMILES COCCOc1cc2ncnc(Nc3cc(O)c(Cl)cc3F)c2cc1OC
Show InChI InChI=1S/C18H17ClFN3O4/c1-25-3-4-27-17-8-13-10(5-16(17)26-2)18(22-9-21-13)23-14-7-15(24)11(19)6-12(14)20/h5-9,24H,3-4H2,1-2H3,(H,21,22,23)
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n/an/a<2n/an/an/an/a7.422



AstraZeneca



Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room...


J Med Chem 42: 5369-89 (1999)


Article DOI: 10.1021/jm990345w
BindingDB Entry DOI: 10.7270/Q2F47MBM
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420953
PNG
(CHEMBL2088260)
Show SMILES COc1cc(CCc2cc(Nc3ccnc(NCc4cc(C)on4)n3)[nH]n2)cc(OC)c1
Show InChI InChI=1S/C22H25N7O3/c1-14-8-17(29-32-14)13-24-22-23-7-6-20(26-22)25-21-11-16(27-28-21)5-4-15-9-18(30-2)12-19(10-15)31-3/h6-12H,4-5,13H2,1-3H3,(H3,23,24,25,26,27,28)
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobili...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420961
PNG
(CHEMBL2088096)
Show SMILES COc1cc(CCc2cc(Nc3ccnc(NCc4cc(C)no4)n3)[nH]n2)cc(OC)c1
Show InChI InChI=1S/C22H25N7O3/c1-14-8-19(32-29-14)13-24-22-23-7-6-20(26-22)25-21-11-16(27-28-21)5-4-15-9-17(30-2)12-18(10-15)31-3/h6-12H,4-5,13H2,1-3H3,(H3,23,24,25,26,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobili...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7657
PNG
(4-[(4-{imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)a...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C17H14N6O2S/c18-26(24,25)13-6-4-12(5-7-13)21-17-19-9-8-14(22-17)15-11-20-16-3-1-2-10-23(15)16/h1-11H,(H2,18,24,25)(H,19,21,22)
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4630
PNG
(2-chloro-4-fluoro-5-{[6-methoxy-7-(2-methoxyethoxy...)
Show SMILES COCCOc1cc2ncnc(Nc3cc(O)c(Cl)cc3F)c2cc1OC
Show InChI InChI=1S/C18H17ClFN3O4/c1-25-3-4-27-17-8-13-10(5-16(17)26-2)18(22-9-21-13)23-14-7-15(24)11(19)6-12(14)20/h5-9,24H,3-4H2,1-2H3,(H,21,22,23)
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n/an/a<2n/an/an/an/an/a25



AstraZeneca



Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room...


J Med Chem 42: 5369-89 (1999)


Article DOI: 10.1021/jm990345w
BindingDB Entry DOI: 10.7270/Q2F47MBM
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420959
PNG
(CHEMBL2088095)
Show SMILES Cc1cc(CNc2ncc(Br)c(Nc3cc(CCc4ccccc4)n[nH]3)n2)on1
Show InChI InChI=1S/C20H20BrN7O/c1-13-9-16(29-28-13)11-22-20-23-12-17(21)19(25-20)24-18-10-15(26-27-18)8-7-14-5-3-2-4-6-14/h2-6,9-10,12H,7-8,11H2,1H3,(H3,22,23,24,25,26,27)
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n/an/a 2.51n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobili...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (Human))
BDBM7672
PNG
(4-[(4-{imidazo[1,2-a]pyridazin-3-yl}pyrimidin-2-yl...)
Show SMILES CNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
Show InChI InChI=1S/C17H15N7O2S/c1-18-27(25,26)13-6-4-12(5-7-13)22-17-19-10-8-14(23-17)15-11-20-16-3-2-9-21-24(15)16/h2-11,18H,1H3,(H,19,22,23)
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n/an/a<3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7673
PNG
(4-[(4-{imidazo[1,2-a]pyridazin-3-yl}pyrimidin-2-yl...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
Show InChI InChI=1S/C19H19N7O3S/c1-29-12-11-23-30(27,28)15-6-4-14(5-7-15)24-19-20-10-8-16(25-19)17-13-21-18-3-2-9-22-26(17)18/h2-10,13,23H,11-12H2,1H3,(H,20,24,25)
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n/an/a<3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7675
PNG
(Imidazo[1,2-b]pyridazine deriv. 2e | N-[3-(dimethy...)
Show SMILES CN(C)CCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
Show InChI InChI=1S/C21H24N8O2S/c1-28(2)14-4-12-25-32(30,31)17-8-6-16(7-9-17)26-21-22-13-10-18(27-21)19-15-23-20-5-3-11-24-29(19)20/h3,5-11,13,15,25H,4,12,14H2,1-2H3,(H,22,26,27)
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n/an/a<3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (Human))
BDBM7679
PNG
(Imidazo[1,2-b]pyridazine deriv. 4b | N-(2-methoxye...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2c(C)nc3cccnn23)cc1
Show InChI InChI=1S/C20H21N7O3S/c1-14-19(27-18(24-14)4-3-10-22-27)17-9-11-21-20(26-17)25-15-5-7-16(8-6-15)31(28,29)23-12-13-30-2/h3-11,23H,12-13H2,1-2H3,(H,21,25,26)
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n/an/a 3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7671
PNG
(4-[(4-{imidazo[1,2-a]pyridazin-3-yl}pyrimidin-2-yl...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
Show InChI InChI=1S/C16H13N7O2S/c17-26(24,25)12-5-3-11(4-6-12)21-16-18-9-7-13(22-16)14-10-19-15-2-1-8-20-23(14)15/h1-10H,(H2,17,24,25)(H,18,21,22)
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n/an/a<3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7669
PNG
(4-({4-[6-(ethylsulfanyl)imidazo[1,2-a]pyridin-3-yl...)
Show SMILES CCSc1ccc2ncc(-c3ccnc(Nc4ccc(cc4)S(=O)(=O)NCCOC)n3)n2c1
Show InChI InChI=1S/C22H24N6O3S2/c1-3-32-17-6-9-21-24-14-20(28(21)15-17)19-10-11-23-22(27-19)26-16-4-7-18(8-5-16)33(29,30)25-12-13-31-2/h4-11,14-15,25H,3,12-13H2,1-2H3,(H,23,26,27)
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n/an/a<3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7668
PNG
(4-[(4-{6-cyanoimidazo[1,2-a]pyridin-3-yl}pyrimidin...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccc(cn23)C#N)cc1
Show InChI InChI=1S/C21H19N7O3S/c1-31-11-10-25-32(29,30)17-5-3-16(4-6-17)26-21-23-9-8-18(27-21)19-13-24-20-7-2-15(12-22)14-28(19)20/h2-9,13-14,25H,10-11H2,1H3,(H,23,26,27)
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n/an/a<3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7667
PNG
(4-[(4-{6-bromoimidazo[1,2-a]pyridin-3-yl}pyrimidin...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccc(Br)cn23)cc1
Show InChI InChI=1S/C20H19BrN6O3S/c1-30-11-10-24-31(28,29)16-5-3-15(4-6-16)25-20-22-9-8-17(26-20)18-12-23-19-7-2-14(21)13-27(18)19/h2-9,12-13,24H,10-11H2,1H3,(H,22,25,26)
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n/an/a<3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7665
PNG
(4-[(5-bromo-4-{imidazo[1,2-a]pyridin-3-yl}pyrimidi...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2ncc(Br)c(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C20H19BrN6O3S/c1-30-11-9-24-31(28,29)15-7-5-14(6-8-15)25-20-23-12-16(21)19(26-20)17-13-22-18-4-2-3-10-27(17)18/h2-8,10,12-13,24H,9,11H2,1H3,(H,23,25,26)
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n/an/a<3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.015
BindingDB Entry DOI: 10.7270/Q22805TT
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7664
PNG
(4-[(5-chloro-4-{imidazo[1,2-a]pyridin-3-yl}pyrimid...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C20H19ClN6O3S/c1-30-11-9-24-31(28,29)15-7-5-14(6-8-15)25-20-23-12-16(21)19(26-20)17-13-22-18-4-2-3-10-27(17)18/h2-8,10,12-13,24H,9,11H2,1H3,(H,23,25,26)
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n/an/a<3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.015
BindingDB Entry DOI: 10.7270/Q22805TT
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7662
PNG
(N-[3-(dimethylamino)propyl]-4-[(4-{imidazo[1,2-a]p...)
Show SMILES CN(C)CCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C22H25N7O2S/c1-28(2)14-5-12-25-32(30,31)18-9-7-17(8-10-18)26-22-23-13-11-19(27-22)20-16-24-21-6-3-4-15-29(20)21/h3-4,6-11,13,15-16,25H,5,12,14H2,1-2H3,(H,23,26,27)
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n/an/a<3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.015
BindingDB Entry DOI: 10.7270/Q22805TT
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7658
PNG
(4-[(4-{imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)a...)
Show SMILES CNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C18H16N6O2S/c1-19-27(25,26)14-7-5-13(6-8-14)22-18-20-10-9-15(23-18)16-12-21-17-4-2-3-11-24(16)17/h2-12,19H,1H3,(H,20,22,23)
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n/an/a<3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.015
BindingDB Entry DOI: 10.7270/Q22805TT
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7657
PNG
(4-[(4-{imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)a...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C17H14N6O2S/c18-26(24,25)13-6-4-12(5-7-13)21-17-19-9-8-14(22-17)15-11-20-16-3-1-2-10-23(15)16/h1-11H,(H2,18,24,25)(H,19,21,22)
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n/an/a<3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.015
BindingDB Entry DOI: 10.7270/Q22805TT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50025069
PNG
(CHEMBL485425)
Show SMILES CNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C)cc1
Show InChI InChI=1S/C16H18N6O2S/c1-11-19-10-15(22(11)3)14-8-9-18-16(21-14)20-12-4-6-13(7-5-12)25(23,24)17-2/h4-10,17H,1-3H3,(H,18,20,21)
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7647
PNG
(4-[(4-{2-methylimidazo[1,2-a]pyridin-3-yl}pyrimidi...)
Show SMILES Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C18H16N6O2S/c1-12-17(24-11-3-2-4-16(24)21-12)15-9-10-20-18(23-15)22-13-5-7-14(8-6-13)27(19,25)26/h2-11H,1H3,(H2,19,25,26)(H,20,22,23)
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n/an/a<3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 3021-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00638-3
BindingDB Entry DOI: 10.7270/Q2610XJ5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4627
PNG
(5-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-2...)
Show SMILES COc1cc2ncnc(Nc3cc(O)c(C)cc3F)c2cc1OC
Show InChI InChI=1S/C17H16FN3O3/c1-9-4-11(18)13(6-14(9)22)21-17-10-5-15(23-2)16(24-3)7-12(10)19-8-20-17/h4-8,22H,1-3H3,(H,19,20,21)
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n/an/a 3n/an/an/an/an/a25



AstraZeneca



Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room...


J Med Chem 42: 5369-89 (1999)


Article DOI: 10.1021/jm990345w
BindingDB Entry DOI: 10.7270/Q2F47MBM
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4633
PNG
(2-chloro-4-fluoro-5-{[6-methoxy-7-(2-methoxyethoxy...)
Show SMILES COCCOc1cc2nccc(Nc3cc(O)c(Cl)cc3F)c2cc1OC
Show InChI InChI=1S/C19H18ClFN2O4/c1-25-5-6-27-19-10-15-11(7-18(19)26-2)14(3-4-22-15)23-16-9-17(24)12(20)8-13(16)21/h3-4,7-10,24H,5-6H2,1-2H3,(H,22,23)
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n/an/a 3n/an/an/an/a7.422



AstraZeneca



Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room...


J Med Chem 42: 5369-89 (1999)


Article DOI: 10.1021/jm990345w
BindingDB Entry DOI: 10.7270/Q2F47MBM
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7672
PNG
(4-[(4-{imidazo[1,2-a]pyridazin-3-yl}pyrimidin-2-yl...)
Show SMILES CNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
Show InChI InChI=1S/C17H15N7O2S/c1-18-27(25,26)13-6-4-12(5-7-13)22-17-19-10-8-14(23-17)15-11-20-16-3-2-9-21-24(15)16/h2-11,18H,1H3,(H,19,22,23)
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50025068
PNG
(CHEMBL484555)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C2CCCC2)cc1
Show InChI InChI=1S/C22H28N6O3S/c1-16-24-15-21(28(16)18-5-3-4-6-18)20-11-12-23-22(27-20)26-17-7-9-19(10-8-17)32(29,30)25-13-14-31-2/h7-12,15,18,25H,3-6,13-14H2,1-2H3,(H,23,26,27)
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7655
PNG
(4-{imidazo[1,2-a]pyridin-3-yl}-N-phenylpyrimidin-2...)
Show SMILES N(c1ccccc1)c1nccc(n1)-c1cnc2ccccn12
Show InChI InChI=1S/C17H13N5/c1-2-6-13(7-3-1)20-17-18-10-9-14(21-17)15-12-19-16-8-4-5-11-22(15)16/h1-12H,(H,18,20,21)
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n/an/a<3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.015
BindingDB Entry DOI: 10.7270/Q22805TT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50274698
PNG
(4-(4-(1-ethyl-2-methyl-1H-imidazol-5-yl)pyrimidin-...)
Show SMILES CCn1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)NCCOC)n1
Show InChI InChI=1S/C19H24N6O3S/c1-4-25-14(2)21-13-18(25)17-9-10-20-19(24-17)23-15-5-7-16(8-6-15)29(26,27)22-11-12-28-3/h5-10,13,22H,4,11-12H2,1-3H3,(H,20,23,24)
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4635
PNG
(2-chloro-4-fluoro-5-{[6-methoxy-7-(2-methoxyethoxy...)
Show SMILES COCCOc1cc2nncc(Nc3cc(O)c(Cl)cc3F)c2cc1OC
Show InChI InChI=1S/C18H17ClFN3O4/c1-25-3-4-27-18-8-13-10(5-17(18)26-2)15(9-21-23-13)22-14-7-16(24)11(19)6-12(14)20/h5-9,24H,3-4H2,1-2H3,(H,22,23)
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n/an/a 4n/an/an/an/an/a25



AstraZeneca



Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room...


J Med Chem 42: 5369-89 (1999)


Article DOI: 10.1021/jm990345w
BindingDB Entry DOI: 10.7270/Q2F47MBM
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7660
PNG
(4-[(4-{imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)a...)
Show SMILES COCCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C21H22N6O3S/c1-30-14-4-11-24-31(28,29)17-8-6-16(7-9-17)25-21-22-12-10-18(26-21)19-15-23-20-5-2-3-13-27(19)20/h2-3,5-10,12-13,15,24H,4,11,14H2,1H3,(H,22,25,26)
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n/an/a 4n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.015
BindingDB Entry DOI: 10.7270/Q22805TT
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7663
PNG
(N-[3-(dimethylamino)propyl]-4-[(4-{imidazo[1,2-a]p...)
Show SMILES CN(C)CCCN(C)S(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C23H27N7O2S/c1-28(2)14-6-15-29(3)33(31,32)19-10-8-18(9-11-19)26-23-24-13-12-20(27-23)21-17-25-22-7-4-5-16-30(21)22/h4-5,7-13,16-17H,6,14-15H2,1-3H3,(H,24,26,27)
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n/an/a 5n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.015
BindingDB Entry DOI: 10.7270/Q22805TT
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50047126
PNG
(2-Ethyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...)
Show SMILES CCc1cc(OCc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c2CCCCc2n1
Show InChI InChI=1S/C25H25N5O/c1-2-19-15-24(22-9-5-6-10-23(22)26-19)31-16-17-11-13-18(14-12-17)20-7-3-4-8-21(20)25-27-29-30-28-25/h3-4,7-8,11-15H,2,5-6,9-10,16H2,1H3,(H,27,28,29,30)
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibition of specific binding of [I-125]AII to Angiotensin II receptor, type 1 in guinea pig adrenal membrane prepa...


Bioorg Med Chem Lett 4: 2615-2620 (1994)


Article DOI: 10.1016/S0960-894X(01)80295-X
BindingDB Entry DOI: 10.7270/Q22J6BTX
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7656
PNG
(Imidazo[1,2-a]pyridine deriv. 1g | N-(3-chlorophen...)
Show SMILES Clc1cccc(Nc2nccc(n2)-c2cnc3ccccn23)c1
Show InChI InChI=1S/C17H12ClN5/c18-12-4-3-5-13(10-12)21-17-19-8-7-14(22-17)15-11-20-16-6-1-2-9-23(15)16/h1-11H,(H,19,21,22)
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n/an/a 5n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.015
BindingDB Entry DOI: 10.7270/Q22805TT
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7661
PNG
(N-[2-(dimethylamino)ethyl]-4-[(4-{imidazo[1,2-a]py...)
Show SMILES CN(C)CCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C21H23N7O2S/c1-27(2)14-12-24-31(29,30)17-8-6-16(7-9-17)25-21-22-11-10-18(26-21)19-15-23-20-5-3-4-13-28(19)20/h3-11,13,15,24H,12,14H2,1-2H3,(H,22,25,26)
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n/an/a 5n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.015
BindingDB Entry DOI: 10.7270/Q22805TT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4682
PNG
(4-Anilinoquinazoline 29 | N-(4-chloro-2-fluorophen...)
Show SMILES COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OC[C@@H]1CCCN(C)C1
Show InChI InChI=1/C22H24ClFN4O2/c1-28-7-3-4-14(11-28)12-30-21-10-19-16(9-20(21)29-2)22(26-13-25-19)27-18-6-5-15(23)8-17(18)24/h5-6,8-10,13-14H,3-4,7,11-12H2,1-2H3,(H,25,26,27)/t14-/s2
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n/an/a 5n/an/an/an/an/a25



AstraZeneca



Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room...


J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1021/jm011022e
BindingDB Entry DOI: 10.7270/Q29C6VMW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4629
PNG
(3-{[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]a...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC
Show InChI InChI=1S/C18H19N3O4/c1-23-6-7-25-17-10-15-14(9-16(17)24-2)18(20-11-19-15)21-12-4-3-5-13(22)8-12/h3-5,8-11,22H,6-7H2,1-2H3,(H,19,20,21)
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n/an/a<5n/an/an/an/an/a25



AstraZeneca



Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room...


J Med Chem 42: 5369-89 (1999)


Article DOI: 10.1021/jm990345w
BindingDB Entry DOI: 10.7270/Q2F47MBM
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50420968
PNG
(CHEMBL2088259)
Show SMILES COc1cc(CCc2cc(Nc3ccnc(NCc4ccccn4)n3)[nH]n2)cc(OC)c1
Show InChI InChI=1S/C23H25N7O2/c1-31-19-11-16(12-20(14-19)32-2)6-7-17-13-22(30-29-17)27-21-8-10-25-23(28-21)26-15-18-5-3-4-9-24-18/h3-5,8-14H,6-7,15H2,1-2H3,(H3,25,26,27,28,29,30)
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n/an/a 5.01n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N terminal GST-tagged human FGFR1 (456 to 765) expressed in baculovirus infected Sf21 cells after 40 mins by caliper mobili...


J Med Chem 55: 5003-12 (2012)


Article DOI: 10.1021/jm3004043
BindingDB Entry DOI: 10.7270/Q25X2B62
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7649
PNG
(2,4-bisanilinopyrimidine deriv. 9 | 4-({4-[(2-fluo...)
Show SMILES Cc1ccc(F)c(Nc2ccnc(Nc3ccc(cc3)S(N)(=O)=O)n2)c1
Show InChI InChI=1S/C17H16FN5O2S/c1-11-2-7-14(18)15(10-11)22-16-8-9-20-17(23-16)21-12-3-5-13(6-4-12)26(19,24)25/h2-10H,1H3,(H2,19,24,25)(H2,20,21,22,23)
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n/an/a 6n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 13: 3021-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00638-3
BindingDB Entry DOI: 10.7270/Q2610XJ5
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50283596
PNG
(1-[4-(2-Ethyl-5,6,7,8-tetrahydro-quinolin-4-yloxym...)
Show SMILES CCc1cc(OCc2ccc(c(c2)C(C)=O)-c2ccccc2-c2nnn[nH]2)c2CCCCc2n1
Show InChI InChI=1S/C27H27N5O2/c1-3-19-15-26(23-10-6-7-11-25(23)28-19)34-16-18-12-13-21(24(14-18)17(2)33)20-8-4-5-9-22(20)27-29-31-32-30-27/h4-5,8-9,12-15H,3,6-7,10-11,16H2,1-2H3,(H,29,30,31,32)
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibition of specific binding of [I-125]AII to AT1 receptor in guinea pig adrenal membrane preparation


Bioorg Med Chem Lett 4: 2615-2620 (1994)


Article DOI: 10.1016/S0960-894X(01)80295-X
BindingDB Entry DOI: 10.7270/Q22J6BTX
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4680
PNG
(4-Anilinoquinazoline 27 | N-(4-Bromo-2-fluoropheny...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCC1CCN(C)CC1
Show InChI InChI=1S/C23H26BrFN4O2/c1-29-8-5-15(6-9-29)7-10-31-22-13-20-17(12-21(22)30-2)23(27-14-26-20)28-19-4-3-16(24)11-18(19)25/h3-4,11-15H,5-10H2,1-2H3,(H,26,27,28)
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n/an/a 6n/an/an/an/an/a25



AstraZeneca



Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room...


J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1021/jm011022e
BindingDB Entry DOI: 10.7270/Q29C6VMW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4645
PNG
(4-Anilinoquinazoline 13 | Anilinoquinazoline deriv...)
Show SMILES COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCN(C)c1ccncc1
Show InChI InChI=1S/C23H21ClFN5O2/c1-30(16-5-7-26-8-6-16)9-10-32-22-13-20-17(12-21(22)31-2)23(28-14-27-20)29-19-4-3-15(24)11-18(19)25/h3-8,11-14H,9-10H2,1-2H3,(H,27,28,29)
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n/an/a 6n/an/an/an/an/a25



AstraZeneca



Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room...


J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1021/jm011022e
BindingDB Entry DOI: 10.7270/Q29C6VMW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4645
PNG
(4-Anilinoquinazoline 13 | Anilinoquinazoline deriv...)
Show SMILES COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCN(C)c1ccncc1
Show InChI InChI=1S/C23H21ClFN5O2/c1-30(16-5-7-26-8-6-16)9-10-32-22-13-20-17(12-21(22)31-2)23(28-14-27-20)29-19-4-3-15(24)11-18(19)25/h3-8,11-14H,9-10H2,1-2H3,(H,27,28,29)
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n/an/a 6n/an/an/an/an/a25



AstraZeneca



Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room...


J Med Chem 42: 5369-89 (1999)


Article DOI: 10.1021/jm990345w
BindingDB Entry DOI: 10.7270/Q2F47MBM
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50274662
PNG
(4-(4-(1,2-dimethyl-1H-imidazol-5-yl)pyrimidin-2-yl...)
Show SMILES CC(C)OCCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C)cc1
Show InChI InChI=1S/C21H28N6O3S/c1-15(2)30-13-5-11-24-31(28,29)18-8-6-17(7-9-18)25-21-22-12-10-19(26-21)20-14-23-16(3)27(20)4/h6-10,12,14-15,24H,5,11,13H2,1-4H3,(H,22,25,26)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246253
PNG
(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1
Show InChI InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM50246253
PNG
(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1
Show InChI InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Cyclin E/CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4671
PNG
(4-Anilinoquinazoline 18 | 4-fluoro-5-({6-methoxy-7...)
Show SMILES COc1cc2c(Nc3cc(O)c(C)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C23H27FN4O3/c1-14-8-17(24)19(10-20(14)29)27-23-16-9-21(30-3)22(11-18(16)25-13-26-23)31-12-15-4-6-28(2)7-5-15/h8-11,13,15,29H,4-7,12H2,1-3H3,(H,25,26,27)
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n/an/a 7n/an/an/an/an/a25



AstraZeneca



Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room...


J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1021/jm011022e
BindingDB Entry DOI: 10.7270/Q29C6VMW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4628
PNG
(Anilinoquinazoline deriv. 11 | CHEMBL286160 | KDR ...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
Show InChI InChI=1S/C18H17ClFN3O3/c1-24-5-6-26-17-9-15-12(8-16(17)25-2)18(22-10-21-15)23-14-4-3-11(19)7-13(14)20/h3-4,7-10H,5-6H2,1-2H3,(H,21,22,23)
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n/an/a 7n/an/an/an/an/a25



AstraZeneca



Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room...


J Med Chem 45: 1300-12 (2002)


Article DOI: 10.1021/jm011022e
BindingDB Entry DOI: 10.7270/Q29C6VMW
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Cavia porcellus)
BDBM50283591
PNG
(4-[2-Chloro-2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmet...)
Show SMILES CCc1cc(OCc2ccc(c(Cl)c2)-c2ccccc2-c2nnn[nH]2)c2CCCCc2n1
Show InChI InChI=1S/C25H24ClN5O/c1-2-17-14-24(21-9-5-6-10-23(21)27-17)32-15-16-11-12-19(22(26)13-16)18-7-3-4-8-20(18)25-28-30-31-29-25/h3-4,7-8,11-14H,2,5-6,9-10,15H2,1H3,(H,28,29,30,31)
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibition of specific binding of [I-125]AII to AT1 receptor in guinea pig adrenal membrane preparation


Bioorg Med Chem Lett 4: 2615-2620 (1994)


Article DOI: 10.1016/S0960-894X(01)80295-X
BindingDB Entry DOI: 10.7270/Q22J6BTX
More data for this
Ligand-Target Pair
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