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Compile Data Set for Download or QSAR

Found 137 hits Enz. Inhib. hit(s) with all data for entry = 50034416   
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
Aurora kinase B


(Homo sapiens (Human))
BDBM50362061
PNG
(CHEMBL1940103)
Show SMILES COc1cc2ncnc(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)c2cc1OC
Show InChI InChI=1S/C21H19FN6O3/c1-30-18-7-16-17(8-19(18)31-2)23-12-24-21(16)27-15-9-25-28(10-15)11-20(29)26-14-5-3-4-13(22)6-14/h3-10,12H,11H2,1-2H3,(H,26,29)(H,23,24,27)
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n/an/a<0.200n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of aurora-B


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50362065
PNG
(CHEMBL1940109)
Show SMILES COCCOc1cc2ncnc(Oc3cnn(CC(=O)Nc4cccc(OC)c4)c3)c2cc1OC
Show InChI InChI=1S/C24H25N5O6/c1-31-7-8-34-22-11-20-19(10-21(22)33-3)24(26-15-25-20)35-18-12-27-29(13-18)14-23(30)28-16-5-4-6-17(9-16)32-2/h4-6,9-13,15H,7-8,14H2,1-3H3,(H,28,30)
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n/an/a 0.200n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362065
PNG
(CHEMBL1940109)
Show SMILES COCCOc1cc2ncnc(Oc3cnn(CC(=O)Nc4cccc(OC)c4)c3)c2cc1OC
Show InChI InChI=1S/C24H25N5O6/c1-31-7-8-34-22-11-20-19(10-21(22)33-3)24(26-15-25-20)35-18-12-27-29(13-18)14-23(30)28-16-5-4-6-17(9-16)32-2/h4-6,9-13,15H,7-8,14H2,1-3H3,(H,28,30)
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n/an/a 0.300n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50362064
PNG
(CHEMBL1940108)
Show SMILES COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)c(OC)cc34)cn2)c1
Show InChI InChI=1S/C22H21N5O5/c1-29-15-6-4-5-14(7-15)26-21(28)12-27-11-16(10-25-27)32-22-17-8-19(30-2)20(31-3)9-18(17)23-13-24-22/h4-11,13H,12H2,1-3H3,(H,26,28)
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n/an/a 0.400n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362089
PNG
(CHEMBL1940273)
Show SMILES CCn1cc(NC(=O)Cc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)cn1
Show InChI InChI=1S/C24H24N4O4/c1-4-28-15-17(14-26-28)27-24(29)11-16-5-7-18(8-6-16)32-21-9-10-25-20-13-23(31-3)22(30-2)12-19(20)21/h5-10,12-15H,4,11H2,1-3H3,(H,27,29)
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n/an/a 0.400n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362064
PNG
(CHEMBL1940108)
Show SMILES COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)c(OC)cc34)cn2)c1
Show InChI InChI=1S/C22H21N5O5/c1-29-15-6-4-5-14(7-15)26-21(28)12-27-11-16(10-25-27)32-22-17-8-19(30-2)20(31-3)9-18(17)23-13-24-22/h4-11,13H,12H2,1-3H3,(H,26,28)
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n/an/a 0.800n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362075
PNG
(CHEMBL1940259)
Show SMILES COc1cccc(NC(=O)Cc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1
Show InChI InChI=1S/C25H23N3O5/c1-30-19-6-4-5-17(12-19)28-24(29)11-16-7-9-18(10-8-16)33-25-20-13-22(31-2)23(32-3)14-21(20)26-15-27-25/h4-10,12-15H,11H2,1-3H3,(H,28,29)
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n/an/a 0.900n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362068
PNG
(CHEMBL1940112)
Show SMILES COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OCCN5CCCC5)c(OC)cc34)cn2)c1
Show InChI InChI=1S/C27H30N6O5/c1-35-20-7-5-6-19(12-20)31-26(34)17-33-16-21(15-30-33)38-27-22-13-24(36-2)25(14-23(22)28-18-29-27)37-11-10-32-8-3-4-9-32/h5-7,12-16,18H,3-4,8-11,17H2,1-2H3,(H,31,34)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362069
PNG
(CHEMBL1940113)
Show SMILES COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)cc(OC)c34)cn2)c1
Show InChI InChI=1S/C22H21N5O5/c1-29-15-6-4-5-14(7-15)26-20(28)12-27-11-17(10-25-27)32-22-21-18(23-13-24-22)8-16(30-2)9-19(21)31-3/h4-11,13H,12H2,1-3H3,(H,26,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50362064
PNG
(CHEMBL1940108)
Show SMILES COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)c(OC)cc34)cn2)c1
Show InChI InChI=1S/C22H21N5O5/c1-29-15-6-4-5-14(7-15)26-21(28)12-27-11-16(10-25-27)32-22-17-8-19(30-2)20(31-3)9-18(17)23-13-24-22/h4-11,13H,12H2,1-3H3,(H,26,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of FLT3 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50362065
PNG
(CHEMBL1940109)
Show SMILES COCCOc1cc2ncnc(Oc3cnn(CC(=O)Nc4cccc(OC)c4)c3)c2cc1OC
Show InChI InChI=1S/C24H25N5O6/c1-31-7-8-34-22-11-20-19(10-21(22)33-3)24(26-15-25-20)35-18-12-27-29(13-18)14-23(30)28-16-5-4-6-17(9-16)32-2/h4-6,9-13,15H,7-8,14H2,1-3H3,(H,28,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of FLT3 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362070
PNG
(CHEMBL1940114)
Show SMILES COc1cccc(NC(=O)Cn2cc(Oc3ccnc4cc(OC)c(cc34)C#N)cn2)c1
Show InChI InChI=1S/C23H19N5O4/c1-30-17-5-3-4-16(9-17)27-23(29)14-28-13-18(12-26-28)32-21-6-7-25-20-10-22(31-2)15(11-24)8-19(20)21/h3-10,12-13H,14H2,1-2H3,(H,27,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362071
PNG
(CHEMBL1940115)
Show SMILES COc1cccc(NC(=O)Cn2cc(Oc3ccnc4cc(OC)c(OC)cc34)cn2)c1
Show InChI InChI=1S/C23H22N4O5/c1-29-16-6-4-5-15(9-16)26-23(28)14-27-13-17(12-25-27)32-20-7-8-24-19-11-22(31-3)21(30-2)10-18(19)20/h4-13H,14H2,1-3H3,(H,26,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362066
PNG
(CHEMBL1940110)
Show SMILES COCCOc1cc2c(Oc3cnn(CC(=O)Nc4cccc(OC)c4)c3)ncnc2cc1OC
Show InChI InChI=1S/C24H25N5O6/c1-31-7-8-34-22-10-19-20(11-21(22)33-3)25-15-26-24(19)35-18-12-27-29(13-18)14-23(30)28-16-5-4-6-17(9-16)32-2/h4-6,9-13,15H,7-8,14H2,1-3H3,(H,28,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362067
PNG
(CHEMBL1940111)
Show SMILES COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)c(OCCN5CCCCC5)cc34)cn2)c1
Show InChI InChI=1S/C28H32N6O5/c1-36-21-8-6-7-20(13-21)32-27(35)18-34-17-22(16-31-34)39-28-23-14-26(25(37-2)15-24(23)29-19-30-28)38-12-11-33-9-4-3-5-10-33/h6-8,13-17,19H,3-5,9-12,18H2,1-2H3,(H,32,35)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362063
PNG
(CHEMBL1940107)
Show SMILES COc1cc2ncnc(Oc3cnn(CC(=O)Nc4ccc(cn4)N(C)C)c3)c2cc1OC
Show InChI InChI=1S/C22H23N7O4/c1-28(2)14-5-6-20(23-9-14)27-21(30)12-29-11-15(10-26-29)33-22-16-7-18(31-3)19(32-4)8-17(16)24-13-25-22/h5-11,13H,12H2,1-4H3,(H,23,27,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50362066
PNG
(CHEMBL1940110)
Show SMILES COCCOc1cc2c(Oc3cnn(CC(=O)Nc4cccc(OC)c4)c3)ncnc2cc1OC
Show InChI InChI=1S/C24H25N5O6/c1-31-7-8-34-22-10-19-20(11-21(22)33-3)25-15-26-24(19)35-18-12-27-29(13-18)14-23(30)28-16-5-4-6-17(9-16)32-2/h4-6,9-13,15H,7-8,14H2,1-3H3,(H,28,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of FLT3 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362088
PNG
(CHEMBL1940272)
Show SMILES CCn1cc(NC(=O)Cc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)cn1
Show InChI InChI=1S/C23H23N5O4/c1-4-28-13-16(12-26-28)27-22(29)9-15-5-7-17(8-6-15)32-23-18-10-20(30-2)21(31-3)11-19(18)24-14-25-23/h5-8,10-14H,4,9H2,1-3H3,(H,27,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50362063
PNG
(CHEMBL1940107)
Show SMILES COc1cc2ncnc(Oc3cnn(CC(=O)Nc4ccc(cn4)N(C)C)c3)c2cc1OC
Show InChI InChI=1S/C22H23N7O4/c1-28(2)14-5-6-20(23-9-14)27-21(30)12-29-11-15(10-26-29)33-22-16-7-18(31-3)19(32-4)8-17(16)24-13-25-22/h5-11,13H,12H2,1-4H3,(H,23,27,30)
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of FLT3 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362072
PNG
(CHEMBL1940116)
Show SMILES CCn1cc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)c(OC)cc34)cn2)cn1
Show InChI InChI=1S/C20H21N7O4/c1-4-26-9-13(7-23-26)25-19(28)11-27-10-14(8-24-27)31-20-15-5-17(29-2)18(30-3)6-16(15)21-12-22-20/h5-10,12H,4,11H2,1-3H3,(H,25,28)
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50362072
PNG
(CHEMBL1940116)
Show SMILES CCn1cc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)c(OC)cc34)cn2)cn1
Show InChI InChI=1S/C20H21N7O4/c1-4-26-9-13(7-23-26)25-19(28)11-27-10-14(8-24-27)31-20-15-5-17(29-2)18(30-3)6-16(15)21-12-22-20/h5-10,12H,4,11H2,1-3H3,(H,25,28)
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of FLT3 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50362060
PNG
(CHEMBL1940105)
Show SMILES COc1cc2ncnc(Nc3cnn(CC(=O)Nc4ccc(cc4)N(C)C)c3)c2cc1OC
Show InChI InChI=1S/C23H25N7O3/c1-29(2)17-7-5-15(6-8-17)27-22(31)13-30-12-16(11-26-30)28-23-18-9-20(32-3)21(33-4)10-19(18)24-14-25-23/h5-12,14H,13H2,1-4H3,(H,27,31)(H,24,25,28)
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of FLT3 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50362061
PNG
(CHEMBL1940103)
Show SMILES COc1cc2ncnc(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)c2cc1OC
Show InChI InChI=1S/C21H19FN6O3/c1-30-18-7-16-17(8-19(18)31-2)23-12-24-21(16)27-15-9-25-28(10-15)11-20(29)26-14-5-3-4-13(22)6-14/h3-10,12H,11H2,1-2H3,(H,26,29)(H,23,24,27)
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of FLT3 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50362089
PNG
(CHEMBL1940273)
Show SMILES CCn1cc(NC(=O)Cc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)cn1
Show InChI InChI=1S/C24H24N4O4/c1-4-28-15-17(14-26-28)27-24(29)11-16-5-7-18(8-6-16)32-21-9-10-25-20-13-23(31-3)22(30-2)12-19(20)21/h5-10,12-15H,4,11H2,1-3H3,(H,27,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of FLT3 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362058
PNG
(CHEMBL1940274)
Show SMILES COc1cc2ncnc(Oc3ccc(CC(=O)Nc4cnn(c4)C(C)C)cc3)c2cc1OC
Show InChI InChI=1S/C24H25N5O4/c1-15(2)29-13-17(12-27-29)28-23(30)9-16-5-7-18(8-6-16)33-24-19-10-21(31-3)22(32-4)11-20(19)25-14-26-24/h5-8,10-15H,9H2,1-4H3,(H,28,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362084
PNG
(CHEMBL1940268)
Show SMILES CCc1cc(NC(=O)Cc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)[nH]n1
Show InChI InChI=1S/C23H23N5O4/c1-4-15-10-21(28-27-15)26-22(29)9-14-5-7-16(8-6-14)32-23-17-11-19(30-2)20(31-3)12-18(17)24-13-25-23/h5-8,10-13H,4,9H2,1-3H3,(H2,26,27,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362082
PNG
(CHEMBL1940266)
Show SMILES COc1cccc(CC(=O)Nc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1
Show InChI InChI=1S/C25H23N3O5/c1-30-19-6-4-5-16(11-19)12-24(29)28-17-7-9-18(10-8-17)33-25-20-13-22(31-2)23(32-3)14-21(20)26-15-27-25/h4-11,13-15H,12H2,1-3H3,(H,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50362066
PNG
(CHEMBL1940110)
Show SMILES COCCOc1cc2c(Oc3cnn(CC(=O)Nc4cccc(OC)c4)c3)ncnc2cc1OC
Show InChI InChI=1S/C24H25N5O6/c1-31-7-8-34-22-10-19-20(11-21(22)33-3)25-15-26-24(19)35-18-12-27-29(13-18)14-23(30)28-16-5-4-6-17(9-16)32-2/h4-6,9-13,15H,7-8,14H2,1-3H3,(H,28,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50362084
PNG
(CHEMBL1940268)
Show SMILES CCc1cc(NC(=O)Cc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)[nH]n1
Show InChI InChI=1S/C23H23N5O4/c1-4-15-10-21(28-27-15)26-22(29)9-14-5-7-16(8-6-14)32-23-17-11-19(30-2)20(31-3)12-18(17)24-13-25-23/h5-8,10-13H,4,9H2,1-3H3,(H2,26,27,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50362068
PNG
(CHEMBL1940112)
Show SMILES COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OCCN5CCCC5)c(OC)cc34)cn2)c1
Show InChI InChI=1S/C27H30N6O5/c1-35-20-7-5-6-19(12-20)31-26(34)17-33-16-21(15-30-33)38-27-22-13-24(36-2)25(14-23(22)28-18-29-27)37-11-10-32-8-3-4-9-32/h5-7,12-16,18H,3-4,8-11,17H2,1-2H3,(H,31,34)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of FLT3 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50362084
PNG
(CHEMBL1940268)
Show SMILES CCc1cc(NC(=O)Cc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)[nH]n1
Show InChI InChI=1S/C23H23N5O4/c1-4-15-10-21(28-27-15)26-22(29)9-14-5-7-16(8-6-14)32-23-17-11-19(30-2)20(31-3)12-18(17)24-13-25-23/h5-8,10-13H,4,9H2,1-3H3,(H2,26,27,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of FLT3 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50362069
PNG
(CHEMBL1940113)
Show SMILES COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)cc(OC)c34)cn2)c1
Show InChI InChI=1S/C22H21N5O5/c1-29-15-6-4-5-14(7-15)26-20(28)12-27-11-17(10-25-27)32-22-21-18(23-13-24-22)8-16(30-2)9-19(21)31-3/h4-11,13H,12H2,1-3H3,(H,26,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of FLT3 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362074
PNG
(CHEMBL1940118)
Show SMILES COc1cc2ncnc(Oc3ccc(CC(=O)Nc4ccc(cn4)N(C)C)cc3)c2cc1OC
Show InChI InChI=1S/C25H25N5O4/c1-30(2)17-7-10-23(26-14-17)29-24(31)11-16-5-8-18(9-6-16)34-25-19-12-21(32-3)22(33-4)13-20(19)27-15-28-25/h5-10,12-15H,11H2,1-4H3,(H,26,29,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362060
PNG
(CHEMBL1940105)
Show SMILES COc1cc2ncnc(Nc3cnn(CC(=O)Nc4ccc(cc4)N(C)C)c3)c2cc1OC
Show InChI InChI=1S/C23H25N7O3/c1-29(2)17-7-5-15(6-8-17)27-22(31)13-30-12-16(11-26-30)28-23-18-9-20(32-3)21(33-4)10-19(18)24-14-25-23/h5-12,14H,13H2,1-4H3,(H,27,31)(H,24,25,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50362058
PNG
(CHEMBL1940274)
Show SMILES COc1cc2ncnc(Oc3ccc(CC(=O)Nc4cnn(c4)C(C)C)cc3)c2cc1OC
Show InChI InChI=1S/C24H25N5O4/c1-15(2)29-13-17(12-27-29)28-23(30)9-16-5-7-18(8-6-16)33-24-19-10-21(31-3)22(32-4)11-20(19)25-14-26-24/h5-8,10-15H,9H2,1-4H3,(H,28,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of FLT3 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50362068
PNG
(CHEMBL1940112)
Show SMILES COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OCCN5CCCC5)c(OC)cc34)cn2)c1
Show InChI InChI=1S/C27H30N6O5/c1-35-20-7-5-6-19(12-20)31-26(34)17-33-16-21(15-30-33)38-27-22-13-24(36-2)25(14-23(22)28-18-29-27)37-11-10-32-8-3-4-9-32/h5-7,12-16,18H,3-4,8-11,17H2,1-2H3,(H,31,34)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50362075
PNG
(CHEMBL1940259)
Show SMILES COc1cccc(NC(=O)Cc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1
Show InChI InChI=1S/C25H23N3O5/c1-30-19-6-4-5-17(12-19)28-24(29)11-16-7-9-18(10-8-16)33-25-20-13-22(31-2)23(32-3)14-21(20)26-15-27-25/h4-10,12-15H,11H2,1-3H3,(H,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of FLT3 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50362058
PNG
(CHEMBL1940274)
Show SMILES COc1cc2ncnc(Oc3ccc(CC(=O)Nc4cnn(c4)C(C)C)cc3)c2cc1OC
Show InChI InChI=1S/C24H25N5O4/c1-15(2)29-13-17(12-27-29)28-23(30)9-16-5-7-18(8-6-16)33-24-19-10-21(31-3)22(32-4)11-20(19)25-14-26-24/h5-8,10-15H,9H2,1-4H3,(H,28,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50362075
PNG
(CHEMBL1940259)
Show SMILES COc1cccc(NC(=O)Cc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1
Show InChI InChI=1S/C25H23N3O5/c1-30-19-6-4-5-17(12-19)28-24(29)11-16-7-9-18(10-8-16)33-25-20-13-22(31-2)23(32-3)14-21(20)26-15-27-25/h4-10,12-15H,11H2,1-3H3,(H,28,29)
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n/an/a 8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50362078
PNG
(CHEMBL1940262)
Show SMILES COc1cccc(NC(=O)NCc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1
Show InChI InChI=1S/C25H24N4O5/c1-31-19-6-4-5-17(11-19)29-25(30)26-14-16-7-9-18(10-8-16)34-24-20-12-22(32-2)23(33-3)13-21(20)27-15-28-24/h4-13,15H,14H2,1-3H3,(H2,26,29,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of FLT3 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50362065
PNG
(CHEMBL1940109)
Show SMILES COCCOc1cc2ncnc(Oc3cnn(CC(=O)Nc4cccc(OC)c4)c3)c2cc1OC
Show InChI InChI=1S/C24H25N5O6/c1-31-7-8-34-22-11-20-19(10-21(22)33-3)24(26-15-25-20)35-18-12-27-29(13-18)14-23(30)28-16-5-4-6-17(9-16)32-2/h4-6,9-13,15H,7-8,14H2,1-3H3,(H,28,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CSF1R phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50362074
PNG
(CHEMBL1940118)
Show SMILES COc1cc2ncnc(Oc3ccc(CC(=O)Nc4ccc(cn4)N(C)C)cc3)c2cc1OC
Show InChI InChI=1S/C25H25N5O4/c1-30(2)17-7-10-23(26-14-17)29-24(31)11-16-5-8-18(9-6-16)34-25-19-12-21(32-3)22(33-4)13-20(19)27-15-28-25/h5-10,12-15H,11H2,1-4H3,(H,26,29,31)
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of FLT3 phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362078
PNG
(CHEMBL1940262)
Show SMILES COc1cccc(NC(=O)NCc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)c1
Show InChI InChI=1S/C25H24N4O5/c1-31-19-6-4-5-17(11-19)29-25(30)26-14-16-7-9-18(10-8-16)34-24-20-12-22(32-2)23(33-3)13-21(20)27-15-28-24/h4-13,15H,14H2,1-3H3,(H2,26,29,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50362059
PNG
(CHEMBL1940104)
Show SMILES COc1cccc(NC(=O)Cn2cc(Nc3ncnc4cc(OC)c(OC)cc34)cn2)c1
Show InChI InChI=1S/C22H22N6O4/c1-30-16-6-4-5-14(7-16)26-21(29)12-28-11-15(10-25-28)27-22-17-8-19(31-2)20(32-3)9-18(17)23-13-24-22/h4-11,13H,12H2,1-3H3,(H,26,29)(H,23,24,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of aurora-B


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50362060
PNG
(CHEMBL1940105)
Show SMILES COc1cc2ncnc(Nc3cnn(CC(=O)Nc4ccc(cc4)N(C)C)c3)c2cc1OC
Show InChI InChI=1S/C23H25N7O3/c1-29(2)17-7-5-15(6-8-17)27-22(31)13-30-12-16(11-26-30)28-23-18-9-20(32-3)21(33-4)10-19(18)24-14-25-23/h5-12,14H,13H2,1-4H3,(H,27,31)(H,24,25,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of aurora-B


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362061
PNG
(CHEMBL1940103)
Show SMILES COc1cc2ncnc(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)c2cc1OC
Show InChI InChI=1S/C21H19FN6O3/c1-30-18-7-16-17(8-19(18)31-2)23-12-24-21(16)27-15-9-25-28(10-15)11-20(29)26-14-5-3-4-13(22)6-14/h3-10,12H,11H2,1-2H3,(H,26,29)(H,23,24,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362059
PNG
(CHEMBL1940104)
Show SMILES COc1cccc(NC(=O)Cn2cc(Nc3ncnc4cc(OC)c(OC)cc34)cn2)c1
Show InChI InChI=1S/C22H22N6O4/c1-30-16-6-4-5-14(7-16)26-21(29)12-28-11-15(10-25-28)27-22-17-8-19(31-2)20(32-3)9-18(17)23-13-24-22/h4-11,13H,12H2,1-3H3,(H,26,29)(H,23,24,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362076
PNG
(CHEMBL1940260)
Show SMILES COc1cccc(NC(=O)Cc2ccc(Nc3ncnc4cc(OC)c(OC)cc34)cc2)c1
Show InChI InChI=1S/C25H24N4O4/c1-31-19-6-4-5-18(12-19)28-24(30)11-16-7-9-17(10-8-16)29-25-20-13-22(32-2)23(33-3)14-21(20)26-15-27-25/h4-10,12-15H,11H2,1-3H3,(H,28,30)(H,26,27,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50362085
PNG
(CHEMBL1940269)
Show SMILES CCn1ccc(NC(=O)Cc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)n1
Show InChI InChI=1S/C23H23N5O4/c1-4-28-10-9-21(27-28)26-22(29)11-15-5-7-16(8-6-15)32-23-17-12-19(30-2)20(31-3)13-18(17)24-14-25-23/h5-10,12-14H,4,11H2,1-3H3,(H,26,27,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50362064
PNG
(CHEMBL1940108)
Show SMILES COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)c(OC)cc34)cn2)c1
Show InChI InChI=1S/C22H21N5O5/c1-29-15-6-4-5-14(7-15)26-21(28)12-27-11-16(10-25-27)32-22-17-8-19(30-2)20(31-3)9-18(17)23-13-24-22/h4-11,13H,12H2,1-3H3,(H,26,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CSF1R phosphorylation by cell based assay


Bioorg Med Chem Lett 22: 262-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.019
BindingDB Entry DOI: 10.7270/Q24F1R6H
More data for this
Ligand-Target Pair
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