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PubMed code 20833551

Compile data set for download or QSAR
Found 54 hits of Enzyme Inhibition Constant Data   
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))
BDBM50327086
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cc(ccn4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C20H14ClF3N6O2/c1-30-7-5-15-17(30)18(27-10-26-15)32-12-2-3-14(13(21)9-12)28-19(31)29-16-8-11(4-6-25-16)20(22,23)24/h2-10H,1H3,(H2,25,28,29,31)
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PubMed
n/an/a 2.70n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50327097
PNG
(1-[2-Chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-py...)
Show SMILES OCCOCCn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C24H21ClF3N5O4/c25-18-13-17(37-22-21-20(29-14-30-22)6-7-33(21)8-10-36-11-9-34)4-5-19(18)32-23(35)31-16-3-1-2-15(12-16)24(26,27)28/h1-7,12-14,34H,8-11H2,(H2,31,32,35)
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n/an/a 2.70n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50327087
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cncc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C20H14ClF3N6O2/c1-30-5-4-16-17(30)18(27-10-26-16)32-13-2-3-15(14(21)7-13)29-19(31)28-12-6-11(8-25-9-12)20(22,23)24/h2-10H,1H3,(H2,28,29,31)
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n/an/a 2.90n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50327070
PNG
(1-(2-chloro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C21H15ClF3N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)
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n/an/a 3.70n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50327088
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4ccnc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C20H14ClF3N6O2/c1-30-7-5-15-17(30)18(27-10-26-15)32-12-2-3-14(13(21)9-12)29-19(31)28-11-4-6-25-16(8-11)20(22,23)24/h2-10H,1H3,(H2,25,28,29,31)
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n/an/a 3.80n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50327093
PNG
(1-(2-Chloro-4-{[5-(2-hydroxyethyl)-5H-pyrrolo[3,2-...)
Show SMILES OCCn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C22H17ClF3N5O3/c23-16-11-15(34-20-19-18(27-12-28-20)6-7-31(19)8-9-32)4-5-17(16)30-21(33)29-14-3-1-2-13(10-14)22(24,25)26/h1-7,10-12,32H,8-9H2,(H2,29,30,33)
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n/an/a 4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50327089
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cnn(CC(F)(F)F)c4)c(Cl)c3)c12
Show InChI InChI=1S/C19H15ClF3N7O2/c1-29-5-4-15-16(29)17(25-10-24-15)32-12-2-3-14(13(20)6-12)28-18(31)27-11-7-26-30(8-11)9-19(21,22)23/h2-8,10H,9H2,1H3,(H2,27,28,31)
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n/an/a 4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50327090
PNG
(1-(1-tert-Butyl-1H-pyrazol-4-yl)-3-{2-chloro-4-[(5...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cnn(c4)C(C)(C)C)c(Cl)c3)c12
Show InChI InChI=1S/C21H22ClN7O2/c1-21(2,3)29-11-13(10-25-29)26-20(30)27-16-6-5-14(9-15(16)22)31-19-18-17(23-12-24-19)7-8-28(18)4/h5-12H,1-4H3,(H2,26,27,30)
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n/an/a 7.60n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50327091
PNG
(1-(5-tert-butylisoxazol-3-yl)-3-(2-chloro-4-(5-met...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)c(Cl)c3)c12
Show InChI InChI=1S/C21H21ClN6O3/c1-21(2,3)16-10-17(27-31-16)26-20(29)25-14-6-5-12(9-13(14)22)30-19-18-15(23-11-24-19)7-8-28(18)4/h5-11H,1-4H3,(H2,25,26,27,29)
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n/an/a 8.90n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50327092
PNG
(1-(2-Chloro-4-{[5-(2-methoxyethyl)-5H-pyrrolo[3,2-...)
Show SMILES COCCn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C23H19ClF3N5O3/c1-34-10-9-32-8-7-19-20(32)21(29-13-28-19)35-16-5-6-18(17(24)12-16)31-22(33)30-15-4-2-3-14(11-15)23(25,26)27/h2-8,11-13H,9-10H2,1H3,(H2,30,31,33)
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n/an/a 9n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50327077
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ncnc5ccn(C)c45)cc3Cl)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H27ClF3N7O2/c1-36-9-11-38(12-10-36)15-17-3-4-18(13-20(17)27(29,30)31)34-26(39)35-22-6-5-19(14-21(22)28)40-25-24-23(32-16-33-25)7-8-37(24)2/h3-8,13-14,16H,9-12,15H2,1-2H3,(H2,34,35,39)
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n/an/a 9.30n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50327074
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(Oc3ncnc4ccn(C)c34)cc2Cl)cc1C(F)(F)F
Show InChI InChI=1S/C22H17ClF3N5O3/c1-31-8-7-17-19(31)20(28-11-27-17)34-13-4-5-16(15(23)10-13)30-21(32)29-12-3-6-18(33-2)14(9-12)22(24,25)26/h3-11H,1-2H3,(H2,29,30,32)
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n/an/a 9.40n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50327096
PNG
(1-(2-Chloro-4-{[6-(hydroxymethyl)-5-methyl-5H-pyrr...)
Show SMILES Cn1c(CO)cc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C22H17ClF3N5O3/c1-31-14(10-32)8-18-19(31)20(28-11-27-18)34-15-5-6-17(16(23)9-15)30-21(33)29-13-4-2-3-12(7-13)22(24,25)26/h2-9,11,32H,10H2,1H3,(H2,29,30,33)
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n/an/a 9.70n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50327082
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES CN1CCN(Cc2cc(NC(=O)Nc3ccc(Oc4ncnc5ccn(C)c45)cc3Cl)cc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C27H27ClF3N7O2/c1-36-7-9-38(10-8-36)15-17-11-18(27(29,30)31)13-19(12-17)34-26(39)35-22-4-3-20(14-21(22)28)40-25-24-23(32-16-33-25)5-6-37(24)2/h3-6,11-14,16H,7-10,15H2,1-2H3,(H2,34,35,39)
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n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50327078
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES CN1CCC(CC1)Oc1ccc(NC(=O)Nc2ccc(Oc3ncnc4ccn(C)c34)cc2Cl)cc1C(F)(F)F
Show InChI InChI=1S/C27H26ClF3N6O3/c1-36-10-7-17(8-11-36)39-23-6-3-16(13-19(23)27(29,30)31)34-26(38)35-21-5-4-18(14-20(21)28)40-25-24-22(32-15-33-25)9-12-37(24)2/h3-6,9,12-15,17H,7-8,10-11H2,1-2H3,(H2,34,35,38)
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n/an/a 12n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50327095
PNG
(1-(2-Chloro-4-{[6-(methoxymethyl)-5-methyl-5H-pyrr...)
Show SMILES COCc1cc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(Cl)c3)c2n1C
Show InChI InChI=1S/C23H19ClF3N5O3/c1-32-15(11-34-2)9-19-20(32)21(29-12-28-19)35-16-6-7-18(17(24)10-16)31-22(33)30-14-5-3-4-13(8-14)23(25,26)27/h3-10,12H,11H2,1-2H3,(H2,30,31,33)
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n/an/a 14n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50327077
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ncnc5ccn(C)c45)cc3Cl)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H27ClF3N7O2/c1-36-9-11-38(12-10-36)15-17-3-4-18(13-20(17)27(29,30)31)34-26(39)35-22-6-5-19(14-21(22)28)40-25-24-23(32-16-33-25)7-8-37(24)2/h3-8,13-14,16H,9-12,15H2,1-2H3,(H2,34,35,39)
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n/an/a 14n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human FGFR1 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50327094
PNG
(1-(2-Chloro-4-{[6-(1-hydroxy-1-methylethyl)-5-meth...)
Show SMILES Cn1c(cc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(Cl)c3)c12)C(C)(C)O
Show InChI InChI=1S/C24H21ClF3N5O3/c1-23(2,35)19-11-18-20(33(19)3)21(30-12-29-18)36-15-7-8-17(16(25)10-15)32-22(34)31-14-6-4-5-13(9-14)24(26,27)28/h4-12,35H,1-3H3,(H2,31,32,34)
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n/an/a 18n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50327073
PNG
(1-(3-tert-Butyl-1-methyl-1H-pyrazol-5-yl)-3-{2-chl...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cc(nn4C)C(C)(C)C)c(Cl)c3)c12
Show InChI InChI=1S/C22H24ClN7O2/c1-22(2,3)17-11-18(30(5)28-17)27-21(31)26-15-7-6-13(10-14(15)23)32-20-19-16(24-12-25-20)8-9-29(19)4/h6-12H,1-5H3,(H2,26,27,31)
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n/an/a 19n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50327076
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4ccc(CN5CCOCC5)c(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C26H24ClF3N6O3/c1-35-7-6-22-23(35)24(32-15-31-22)39-18-4-5-21(20(27)13-18)34-25(37)33-17-3-2-16(19(12-17)26(28,29)30)14-36-8-10-38-11-9-36/h2-7,12-13,15H,8-11,14H2,1H3,(H2,33,34,37)
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n/an/a 19n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50327079
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES COc1cc(NC(=O)Nc2ccc(Oc3ncnc4ccn(C)c34)cc2Cl)cc(c1)C(F)(F)F
Show InChI InChI=1S/C22H17ClF3N5O3/c1-31-6-5-18-19(31)20(28-11-27-18)34-14-3-4-17(16(23)10-14)30-21(32)29-13-7-12(22(24,25)26)8-15(9-13)33-2/h3-11H,1-2H3,(H2,29,30,32)
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n/an/a 20n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50327081
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cc(CN5CCOCC5)cc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C26H24ClF3N6O3/c1-35-5-4-22-23(35)24(32-15-31-22)39-19-2-3-21(20(27)13-19)34-25(37)33-18-11-16(10-17(12-18)26(28,29)30)14-36-6-8-38-9-7-36/h2-5,10-13,15H,6-9,14H2,1H3,(H2,33,34,37)
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n/an/a 23n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50327080
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cc(cc(c4)C(F)(F)F)N4CCOCC4)c(Cl)c3)c12
Show InChI InChI=1S/C25H22ClF3N6O3/c1-34-5-4-21-22(34)23(31-14-30-21)38-18-2-3-20(19(26)13-18)33-24(36)32-16-10-15(25(27,28)29)11-17(12-16)35-6-8-37-9-7-35/h2-5,10-14H,6-9H2,1H3,(H2,32,33,36)
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n/an/a 60n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50327075
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4ccc(N5CCOCC5)c(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C25H22ClF3N6O3/c1-34-7-6-20-22(34)23(31-14-30-20)38-16-3-4-19(18(26)13-16)33-24(36)32-15-2-5-21(17(12-15)25(27,28)29)35-8-10-37-11-9-35/h2-7,12-14H,8-11H2,1H3,(H2,32,33,36)
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n/an/a 61n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50327083
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4ccccn4)c(Cl)c3)c12
Show InChI InChI=1S/C19H15ClN6O2/c1-26-9-7-15-17(26)18(23-11-22-15)28-12-5-6-14(13(20)10-12)24-19(27)25-16-4-2-3-8-21-16/h2-11H,1H3,(H2,21,24,25,27)
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n/an/a 210n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50327091
PNG
(1-(5-tert-butylisoxazol-3-yl)-3-(2-chloro-4-(5-met...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)c(Cl)c3)c12
Show InChI InChI=1S/C21H21ClN6O3/c1-21(2,3)16-10-17(27-31-16)26-20(29)25-14-6-5-12(9-13(14)22)30-19-18-15(23-11-24-19)7-8-28(18)4/h5-11H,1-4H3,(H2,25,26,27,29)
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n/an/a 220n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human FGFR1 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50327084
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccnc4)c(Cl)c3)c12
Show InChI InChI=1S/C19H15ClN6O2/c1-26-8-6-16-17(26)18(23-11-22-16)28-13-4-5-15(14(20)9-13)25-19(27)24-12-3-2-7-21-10-12/h2-11H,1H3,(H2,24,25,27)
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n/an/a 230n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50327073
PNG
(1-(3-tert-Butyl-1-methyl-1H-pyrazol-5-yl)-3-{2-chl...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cc(nn4C)C(C)(C)C)c(Cl)c3)c12
Show InChI InChI=1S/C22H24ClN7O2/c1-22(2,3)17-11-18(30(5)28-17)27-21(31)26-15-7-6-13(10-14(15)23)32-20-19-16(24-12-25-20)8-9-29(19)4/h6-12H,1-5H3,(H2,26,27,31)
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n/an/a 260n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human FGFR1 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50327078
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES CN1CCC(CC1)Oc1ccc(NC(=O)Nc2ccc(Oc3ncnc4ccn(C)c34)cc2Cl)cc1C(F)(F)F
Show InChI InChI=1S/C27H26ClF3N6O3/c1-36-10-7-17(8-11-36)39-23-6-3-16(13-19(23)27(29,30)31)34-26(38)35-21-5-4-18(14-20(21)28)40-25-24-22(32-15-33-25)9-12-37(24)2/h3-6,9,12-15,17H,7-8,10-11H2,1-2H3,(H2,34,35,38)
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n/an/a 270n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human FGFR1 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50327082
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES CN1CCN(Cc2cc(NC(=O)Nc3ccc(Oc4ncnc5ccn(C)c45)cc3Cl)cc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C27H27ClF3N7O2/c1-36-7-9-38(10-8-36)15-17-11-18(27(29,30)31)13-19(12-17)34-26(39)35-22-4-3-20(14-21(22)28)40-25-24-23(32-16-33-25)5-6-37(24)2/h3-6,11-14,16H,7-10,15H2,1-2H3,(H2,34,35,39)
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n/an/a 390n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human FGFR1 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50327075
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4ccc(N5CCOCC5)c(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C25H22ClF3N6O3/c1-34-7-6-20-22(34)23(31-14-30-20)38-16-3-4-19(18(26)13-16)33-24(36)32-15-2-5-21(17(12-15)25(27,28)29)35-8-10-37-11-9-35/h2-7,12-14H,8-11H2,1H3,(H2,32,33,36)
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n/an/a 610n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human FGFR1 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50327085
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4ccncc4)c(Cl)c3)c12
Show InChI InChI=1S/C19H15ClN6O2/c1-26-9-6-16-17(26)18(23-11-22-16)28-13-2-3-15(14(20)10-13)25-19(27)24-12-4-7-21-8-5-12/h2-11H,1H3,(H2,21,24,25,27)
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n/an/a 650n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50327090
PNG
(1-(1-tert-Butyl-1H-pyrazol-4-yl)-3-{2-chloro-4-[(5...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cnn(c4)C(C)(C)C)c(Cl)c3)c12
Show InChI InChI=1S/C21H22ClN7O2/c1-21(2,3)29-11-13(10-25-29)26-20(30)27-16-6-5-14(9-15(16)22)31-19-18-17(23-12-24-19)7-8-28(18)4/h5-12H,1-4H3,(H2,26,27,30)
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n/an/a 940n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human FGFR1 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50327076
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4ccc(CN5CCOCC5)c(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C26H24ClF3N6O3/c1-35-7-6-22-23(35)24(32-15-31-22)39-18-4-5-21(20(27)13-18)34-25(37)33-17-3-2-16(19(12-17)26(28,29)30)14-36-8-10-38-11-9-36/h2-7,12-13,15H,8-11,14H2,1H3,(H2,33,34,37)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human FGFR1 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50327097
PNG
(1-[2-Chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-py...)
Show SMILES OCCOCCn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C24H21ClF3N5O4/c25-18-13-17(37-22-21-20(29-14-30-22)6-7-33(21)8-10-36-11-9-34)4-5-19(18)32-23(35)31-16-3-1-2-15(12-16)24(26,27)28/h1-7,12-14,34H,8-11H2,(H2,31,32,35)
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n/an/a 6.50E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human FGFR1 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50327081
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cc(CN5CCOCC5)cc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C26H24ClF3N6O3/c1-35-5-4-22-23(35)24(32-15-31-22)39-19-2-3-21(20(27)13-19)34-25(37)33-18-11-16(10-17(12-18)26(28,29)30)14-36-6-8-38-9-7-36/h2-5,10-13,15H,6-9,14H2,1H3,(H2,33,34,37)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human FGFR1 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50327087
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cncc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C20H14ClF3N6O2/c1-30-5-4-16-17(30)18(27-10-26-16)32-13-2-3-15(14(21)7-13)29-19(31)28-12-6-11(8-25-9-12)20(22,23)24/h2-10H,1H3,(H2,28,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human FGFR1 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50327046
PNG
(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12
Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human FGFR1 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50327095
PNG
(1-(2-Chloro-4-{[6-(methoxymethyl)-5-methyl-5H-pyrr...)
Show SMILES COCc1cc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(Cl)c3)c2n1C
Show InChI InChI=1S/C23H19ClF3N5O3/c1-32-15(11-34-2)9-19-20(32)21(29-12-28-19)35-16-6-7-18(17(24)10-16)31-22(33)30-14-5-3-4-13(8-14)23(25,26)27/h3-10,12H,11H2,1-2H3,(H2,30,31,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human FGFR1 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50327080
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cc(cc(c4)C(F)(F)F)N4CCOCC4)c(Cl)c3)c12
Show InChI InChI=1S/C25H22ClF3N6O3/c1-34-5-4-21-22(34)23(31-14-30-21)38-18-2-3-20(19(26)13-18)33-24(36)32-16-10-15(25(27,28)29)11-17(12-16)35-6-8-37-9-7-35/h2-5,10-14H,6-9H2,1H3,(H2,32,33,36)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human FGFR1 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50327083
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4ccccn4)c(Cl)c3)c12
Show InChI InChI=1S/C19H15ClN6O2/c1-26-9-7-15-17(26)18(23-11-22-15)28-12-5-6-14(13(20)10-12)24-19(27)25-16-4-2-3-8-21-16/h2-11H,1H3,(H2,21,24,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human FGFR1 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50327093
PNG
(1-(2-Chloro-4-{[5-(2-hydroxyethyl)-5H-pyrrolo[3,2-...)
Show SMILES OCCn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C22H17ClF3N5O3/c23-16-11-15(34-20-19-18(27-12-28-20)6-7-31(19)8-9-32)4-5-17(16)30-21(33)29-14-3-1-2-13(10-14)22(24,25)26/h1-7,10-12,32H,8-9H2,(H2,29,30,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human FGFR1 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50327074
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(Oc3ncnc4ccn(C)c34)cc2Cl)cc1C(F)(F)F
Show InChI InChI=1S/C22H17ClF3N5O3/c1-31-8-7-17-19(31)20(28-11-27-17)34-13-4-5-16(15(23)10-13)30-21(32)29-12-3-6-18(33-2)14(9-12)22(24,25)26/h3-11H,1-2H3,(H2,29,30,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human FGFR1 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50327089
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cnn(CC(F)(F)F)c4)c(Cl)c3)c12
Show InChI InChI=1S/C19H15ClF3N7O2/c1-29-5-4-15-16(29)17(25-10-24-15)32-12-2-3-14(13(20)6-12)28-18(31)27-11-7-26-30(8-11)9-19(21,22)23/h2-8,10H,9H2,1H3,(H2,27,28,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human FGFR1 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50327070
PNG
(1-(2-chloro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C21H15ClF3N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human FGFR1 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50327084
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccnc4)c(Cl)c3)c12
Show InChI InChI=1S/C19H15ClN6O2/c1-26-8-6-16-17(26)18(23-11-22-16)28-13-4-5-15(14(20)9-13)25-19(27)24-12-3-2-7-21-10-12/h2-11H,1H3,(H2,24,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human FGFR1 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50327094
PNG
(1-(2-Chloro-4-{[6-(1-hydroxy-1-methylethyl)-5-meth...)
Show SMILES Cn1c(cc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(Cl)c3)c12)C(C)(C)O
Show InChI InChI=1S/C24H21ClF3N5O3/c1-23(2,35)19-11-18-20(33(19)3)21(30-12-29-18)36-15-7-8-17(16(25)10-15)32-22(34)31-14-6-4-5-13(9-14)24(26,27)28/h4-12,35H,1-3H3,(H2,31,32,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human FGFR1 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50327085
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4ccncc4)c(Cl)c3)c12
Show InChI InChI=1S/C19H15ClN6O2/c1-26-9-6-16-17(26)18(23-11-22-16)28-13-2-3-15(14(20)10-13)25-19(27)24-12-4-7-21-8-5-12/h2-11H,1H3,(H2,21,24,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human FGFR1 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50327046
PNG
(1-(2-fluoro-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(F)c3)c12
Show InChI InChI=1S/C21H15F4N5O2/c1-30-8-7-17-18(30)19(27-11-26-17)32-14-5-6-16(15(22)10-14)29-20(31)28-13-4-2-3-12(9-13)21(23,24)25/h2-11H,1H3,(H2,28,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50327079
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES COc1cc(NC(=O)Nc2ccc(Oc3ncnc4ccn(C)c34)cc2Cl)cc(c1)C(F)(F)F
Show InChI InChI=1S/C22H17ClF3N5O3/c1-31-6-5-18-19(31)20(28-11-27-18)34-14-3-4-17(16(23)10-14)30-21(32)29-13-7-12(22(24,25)26)8-15(9-13)33-2/h3-11H,1-2H3,(H2,29,30,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human FGFR1 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50327088
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4ccnc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C20H14ClF3N6O2/c1-30-7-5-15-17(30)18(27-10-26-15)32-12-2-3-14(13(21)9-12)29-19(31)28-11-4-6-25-16(8-11)20(22,23)24/h2-10H,1H3,(H2,25,28,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human FGFR1 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50327096
PNG
(1-(2-Chloro-4-{[6-(hydroxymethyl)-5-methyl-5H-pyrr...)
Show SMILES Cn1c(CO)cc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C22H17ClF3N5O3/c1-31-14(10-32)8-18-19(31)20(28-11-27-18)34-15-5-6-17(16(23)9-15)30-21(33)29-13-4-2-3-12(7-13)22(24,25)26/h2-9,11,32H,10H2,1H3,(H2,29,30,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human FGFR1 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50327086
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cc(ccn4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C20H14ClF3N6O2/c1-30-7-5-15-17(30)18(27-10-26-15)32-12-2-3-14(13(21)9-12)28-19(31)29-16-8-11(4-6-25-16)20(22,23)24/h2-10H,1H3,(H2,25,28,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human FGFR1 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50327092
PNG
(1-(2-Chloro-4-{[5-(2-methoxyethyl)-5H-pyrrolo[3,2-...)
Show SMILES COCCn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C23H19ClF3N5O3/c1-34-10-9-32-8-7-19-20(32)21(29-13-28-19)35-16-5-6-18(17(24)12-16)31-22(33)30-15-4-2-3-14(11-15)23(25,26)27/h2-8,11-13H,9-10H2,1H3,(H2,30,31,33)
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n/an/a 2.70E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human FGFR1 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%