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Patent code US8765747

Compile Data Set for Download or QSAR
Found 21 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
Cyclin-dependent kinase 11B


(Homo sapiens (Human))
BDBM124970
PNG
(US8765747, 2)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
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n/an/an/a 32n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinas...


US Patent US8765747 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F6R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM124970
PNG
(US8765747, 2)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
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n/an/an/a 36n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinas...


US Patent US8765747 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F6R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM124970
PNG
(US8765747, 2)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
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n/an/an/a 100n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinas...


US Patent US8765747 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F6R
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM124970
PNG
(US8765747, 2)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
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n/an/an/a 13n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinas...


US Patent US8765747 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F6R
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 3


(Homo sapiens (Human))
BDBM124970
PNG
(US8765747, 2)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
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n/an/an/a 250n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinas...


US Patent US8765747 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F6R
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM124970
PNG
(US8765747, 2)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
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n/an/an/a 2.30n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinas...


US Patent US8765747 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F6R
More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 1


(Homo sapiens (Human))
BDBM124970
PNG
(US8765747, 2)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
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n/an/an/a 34n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinas...


US Patent US8765747 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F6R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 10


(Homo sapiens (Human))
BDBM124970
PNG
(US8765747, 2)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
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n/an/an/a 9.5n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinas...


US Patent US8765747 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F6R
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM124970
PNG
(US8765747, 2)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
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n/an/an/a 7.70n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinas...


US Patent US8765747 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F6R
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM124970
PNG
(US8765747, 2)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
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n/an/an/a 57n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinas...


US Patent US8765747 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F6R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM124970
PNG
(US8765747, 2)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
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n/an/an/a 3.30n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinas...


US Patent US8765747 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F6R
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Rattus norvegicus)
BDBM124970
PNG
(US8765747, 2)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
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n/an/an/a 1.80n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinas...


US Patent US8765747 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F6R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 [T315I]


(Homo sapiens (Human))
BDBM124970
PNG
(US8765747, 2)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
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n/an/an/a 1.20n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinas...


US Patent US8765747 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F6R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM124970
PNG
(US8765747, 2)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
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n/an/an/a 5.60n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinas...


US Patent US8765747 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F6R
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM124970
PNG
(US8765747, 2)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
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n/an/an/a 58n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinas...


US Patent US8765747 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F6R
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM124970
PNG
(US8765747, 2)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
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n/an/an/a 840n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinas...


US Patent US8765747 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F6R
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM124970
PNG
(US8765747, 2)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
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n/an/an/a 3.40n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinas...


US Patent US8765747 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F6R
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM124970
PNG
(US8765747, 2)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
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n/an/an/a 74n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinas...


US Patent US8765747 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F6R
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM124970
PNG
(US8765747, 2)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
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n/an/an/a 31n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinas...


US Patent US8765747 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F6R
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM124970
PNG
(US8765747, 2)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
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n/an/an/a 2.90n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinas...


US Patent US8765747 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F6R
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM124970
PNG
(US8765747, 2)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
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n/an/an/a 150n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinas...


US Patent US8765747 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F6R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%