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Patent code US10266537

Compile Data Set for Download or QSAR
Found 116 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
Proto-oncogene tyrosine-protein kinase Src (aa 1-530)


(Homo sapiens (Human))
BDBM50086441
PNG
(CHEMBL3426225 | US10266537, Compound 3)
Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)
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n/an/a<1n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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n/an/a 1n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50086441
PNG
(CHEMBL3426225 | US10266537, Compound 3)
Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Bcr-Abl


(Homo sapiens (Human))
BDBM50086441
PNG
(CHEMBL3426225 | US10266537, Compound 3)
Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50086441
PNG
(CHEMBL3426225 | US10266537, Compound 3)
Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM378887
PNG
(US10266537, Compound 31)
Show SMILES CN1CCC(CC1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
Show InChI InChI=1S/C28H26F3N7O/c1-17-6-8-21(35-27(39)19-4-3-5-20(14-19)28(29,30)31)15-18(17)7-9-23-24-25(32)33-16-34-26(24)38(36-23)22-10-12-37(2)13-11-22/h3-6,8,14-16,22H,10-13H2,1-2H3,(H,35,39)(H2,32,33,34)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM378888
PNG
(Preparation of 3-(4-amino-1-(piperidin-4-yl)-1H-py...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn(C(=O)OC(C)(C)C)c4ncnc(N)c34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C33H35F3N8O3/c1-20-6-7-22(30(45)40-24-10-8-23(25(17-24)33(34,35)36)18-43-14-12-42(5)13-15-43)16-21(20)9-11-26-27-28(37)38-19-39-29(27)44(41-26)31(46)47-32(2,3)4/h6-8,10,16-17,19H,12-15,18H2,1-5H3,(H,40,45)(H2,37,38,39)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (aa 1-530)


(Homo sapiens (Human))
BDBM378887
PNG
(US10266537, Compound 31)
Show SMILES CN1CCC(CC1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
Show InChI InChI=1S/C28H26F3N7O/c1-17-6-8-21(35-27(39)19-4-3-5-20(14-19)28(29,30)31)15-18(17)7-9-23-24-25(32)33-16-34-26(24)38(36-23)22-10-12-37(2)13-11-22/h3-6,8,14-16,22H,10-13H2,1-2H3,(H,35,39)(H2,32,33,34)
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n/an/a 2n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50086442
PNG
(CHEMBL3426233 | US10266537, Compound 121)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn(C4CCN(CC4)C(=O)C=C)c4ncnc(N)c34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C36H38F3N9O2/c1-4-31(49)47-13-11-28(12-14-47)48-34-32(33(40)41-22-42-34)30(44-48)10-8-24-19-25(6-5-23(24)2)35(50)43-27-9-7-26(29(20-27)36(37,38)39)21-46-17-15-45(3)16-18-46/h4-7,9,19-20,22,28H,1,11-18,21H2,2-3H3,(H,43,50)(H2,40,41,42)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (aa 1-530)


(Homo sapiens (Human))
BDBM378890
PNG
(US10266537, Compound 5)
Show SMILES CC(C)Nc1ncnc(N)c1C(=N)C#Cc1cc(ccc1C)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C31H35F3N8O/c1-19(2)39-29-27(28(36)37-18-38-29)26(35)10-8-21-15-22(6-5-20(21)3)30(43)40-24-9-7-23(25(16-24)31(32,33)34)17-42-13-11-41(4)12-14-42/h5-7,9,15-16,18-19,35H,11-14,17H2,1-4H3,(H,40,43)(H3,36,37,38,39)
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n/an/a 2n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
ABL Mutant (T315I)


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (aa 1-530)


(Homo sapiens (Human))
BDBM50086453
PNG
(CHEMBL3426220 | US10266537, Compound 14)
Show SMILES CC(C)n1nc(C#Cc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C25H21F3N6O/c1-14(2)34-23-21(22(29)30-13-31-23)20(33-34)10-9-16-11-17(8-7-15(16)3)24(35)32-19-6-4-5-18(12-19)25(26,27)28/h4-8,11-14H,1-3H3,(H,32,35)(H2,29,30,31)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50086441
PNG
(CHEMBL3426225 | US10266537, Compound 3)
Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM378887
PNG
(US10266537, Compound 31)
Show SMILES CN1CCC(CC1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
Show InChI InChI=1S/C28H26F3N7O/c1-17-6-8-21(35-27(39)19-4-3-5-20(14-19)28(29,30)31)15-18(17)7-9-23-24-25(32)33-16-34-26(24)38(36-23)22-10-12-37(2)13-11-22/h3-6,8,14-16,22H,10-13H2,1-2H3,(H,35,39)(H2,32,33,34)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (aa 1-530)


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (aa 1-530)


(Homo sapiens (Human))
BDBM378902
PNG
(US10266537, Compound 18)
Show SMILES CC(C)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
Show InChI InChI=1S/C25H21F3N6O/c1-14(2)34-23-21(22(29)30-13-31-23)20(33-34)10-8-16-12-19(9-7-15(16)3)32-24(35)17-5-4-6-18(11-17)25(26,27)28/h4-7,9,11-14H,1-3H3,(H,32,35)(H2,29,30,31)
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n/an/a 4n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM378887
PNG
(US10266537, Compound 31)
Show SMILES CN1CCC(CC1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
Show InChI InChI=1S/C28H26F3N7O/c1-17-6-8-21(35-27(39)19-4-3-5-20(14-19)28(29,30)31)15-18(17)7-9-23-24-25(32)33-16-34-26(24)38(36-23)22-10-12-37(2)13-11-22/h3-6,8,14-16,22H,10-13H2,1-2H3,(H,35,39)(H2,32,33,34)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (aa 1-530)


(Homo sapiens (Human))
BDBM378889
PNG
(Preparation of N-(3-((4-amino-1-isopropyl-1H-pyraz...)
Show SMILES CC(C)n1nc(C#Cc2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)ccc2C)c2c(N)ncnc12
Show InChI InChI=1S/C30H34N8O/c1-20(2)38-29-27(28(31)32-19-33-29)26(35-38)12-10-24-17-25(11-5-21(24)3)34-30(39)23-8-6-22(7-9-23)18-37-15-13-36(4)14-16-37/h5-9,11,17,19-20H,13-16,18H2,1-4H3,(H,34,39)(H2,31,32,33)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (aa 1-530)


(Homo sapiens (Human))
BDBM50086456
PNG
(CHEMBL3426218 | US10266537, Compound 17)
Show SMILES CC(C)n1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C30H34N8O/c1-20(2)38-29-27(28(31)32-19-33-29)26(35-38)12-9-23-17-24(8-5-21(23)3)30(39)34-25-10-6-22(7-11-25)18-37-15-13-36(4)14-16-37/h5-8,10-11,17,19-20H,13-16,18H2,1-4H3,(H,34,39)(H2,31,32,33)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM378887
PNG
(US10266537, Compound 31)
Show SMILES CN1CCC(CC1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
Show InChI InChI=1S/C28H26F3N7O/c1-17-6-8-21(35-27(39)19-4-3-5-20(14-19)28(29,30)31)15-18(17)7-9-23-24-25(32)33-16-34-26(24)38(36-23)22-10-12-37(2)13-11-22/h3-6,8,14-16,22H,10-13H2,1-2H3,(H,35,39)(H2,32,33,34)
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n/an/a 5n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50086441
PNG
(CHEMBL3426225 | US10266537, Compound 3)
Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (aa 1-530)


(Homo sapiens (Human))
BDBM50086586
PNG
(CHEMBL3426234 | US10266537, Compound 29)
Show SMILES CCn1nc(C#Cc2cccc(c2)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C29H29F3N8O/c1-3-40-27-25(26(33)34-18-35-27)24(37-40)10-7-19-5-4-6-20(15-19)28(41)36-22-9-8-21(23(16-22)29(30,31)32)17-39-13-11-38(2)12-14-39/h4-6,8-9,15-16,18H,3,11-14,17H2,1-2H3,(H,36,41)(H2,33,34,35)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM50086441
PNG
(CHEMBL3426225 | US10266537, Compound 3)
Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (aa 1-530)


(Homo sapiens (Human))
BDBM50086449
PNG
(CHEMBL3426224 | US10266537, Compound 8)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn(C)c4ncnc(N)c34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H29F3N8O/c1-18-4-5-20(14-19(18)7-9-24-25-26(33)34-17-35-27(25)39(3)37-24)28(41)36-22-8-6-21(23(15-22)29(30,31)32)16-40-12-10-38(2)11-13-40/h4-6,8,14-15,17H,10-13,16H2,1-3H3,(H,36,41)(H2,33,34,35)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (aa 1-530)


(Homo sapiens (Human))
BDBM50086444
PNG
(CHEMBL3426230 | US10266537, Compound 20)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn([C@@H]4CCOC4)c4ncnc(N)c34)cc2C(F)(F)F)CC1
Show InChI InChI=1/C32H33F3N8O2/c1-20-3-4-22(15-21(20)6-8-27-28-29(36)37-19-38-30(28)43(40-27)25-9-14-45-18-25)31(44)39-24-7-5-23(26(16-24)32(33,34)35)17-42-12-10-41(2)11-13-42/h3-5,7,15-16,19,25H,9-14,17-18H2,1-2H3,(H,39,44)(H2,36,37,38)/t25-/s2
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (aa 1-530)


(Homo sapiens (Human))
BDBM378900
PNG
(US10266537, Compound 16)
Show SMILES CC(C)n1nc(C#Cc2cc(NC(=O)c3ccc(CN4CCN(C)CC4)c(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
Show InChI InChI=1S/C31H33F3N8O/c1-19(2)42-29-27(28(35)36-18-37-29)26(39-42)10-8-21-15-24(9-5-20(21)3)38-30(43)22-6-7-23(25(16-22)31(32,33)34)17-41-13-11-40(4)12-14-41/h5-7,9,15-16,18-19H,11-14,17H2,1-4H3,(H,38,43)(H2,35,36,37)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (aa 1-530)


(Homo sapiens (Human))
BDBM50086445
PNG
(CHEMBL3426229 | US10266537, Compound 21)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn([C@H]4CCOC4)c4ncnc(N)c34)cc2C(F)(F)F)CC1
Show InChI InChI=1/C32H33F3N8O2/c1-20-3-4-22(15-21(20)6-8-27-28-29(36)37-19-38-30(28)43(40-27)25-9-14-45-18-25)31(44)39-24-7-5-23(26(16-24)32(33,34)35)17-42-12-10-41(2)11-13-42/h3-5,7,15-16,19,25H,9-14,17-18H2,1-2H3,(H,39,44)(H2,36,37,38)/t25-/s2
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
calcineurin A1, putative


(Candida dubliniensis CD36)
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (aa 1-530)


(Homo sapiens (Human))
BDBM50086446
PNG
(CHEMBL3426228 | US10266537, Compound 19)
Show SMILES COCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O2/c1-19-4-5-21(14-20(19)7-9-25-26-27(34)35-17-36-28(26)41(38-25)18-43-3)29(42)37-23-8-6-22(24(15-23)30(31,32)33)16-40-12-10-39(2)11-13-40/h4-6,8,14-15,17H,10-13,16,18H2,1-3H3,(H,37,42)(H2,34,35,36)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (aa 1-530)


(Homo sapiens (Human))
BDBM50086448
PNG
(CHEMBL3426226 | US10266537, Compound 6)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn(C4CCC4)c4ncnc(N)c34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C32H33F3N8O/c1-20-6-7-22(16-21(20)9-11-27-28-29(36)37-19-38-30(28)43(40-27)25-4-3-5-25)31(44)39-24-10-8-23(26(17-24)32(33,34)35)18-42-14-12-41(2)13-15-42/h6-8,10,16-17,19,25H,3-5,12-15,18H2,1-2H3,(H,39,44)(H2,36,37,38)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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n/an/a 9n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM50086441
PNG
(CHEMBL3426225 | US10266537, Compound 3)
Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (aa 1-530)


(Homo sapiens (Human))
BDBM378896
PNG
(US10266537, Compound 11)
Show SMILES CC(C)n1nc(C#Cc2cccc(c2)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O/c1-19(2)41-28-26(27(34)35-18-36-28)25(38-41)10-7-20-5-4-6-21(15-20)29(42)37-23-9-8-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h4-6,8-9,15-16,18-19H,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)
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n/an/a 10n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens (Human))
BDBM378887
PNG
(US10266537, Compound 31)
Show SMILES CN1CCC(CC1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
Show InChI InChI=1S/C28H26F3N7O/c1-17-6-8-21(35-27(39)19-4-3-5-20(14-19)28(29,30)31)15-18(17)7-9-23-24-25(32)33-16-34-26(24)38(36-23)22-10-12-37(2)13-11-22/h3-6,8,14-16,22H,10-13H2,1-2H3,(H,35,39)(H2,32,33,34)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens (Human))
BDBM378887
PNG
(US10266537, Compound 31)
Show SMILES CN1CCC(CC1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
Show InChI InChI=1S/C28H26F3N7O/c1-17-6-8-21(35-27(39)19-4-3-5-20(14-19)28(29,30)31)15-18(17)7-9-23-24-25(32)33-16-34-26(24)38(36-23)22-10-12-37(2)13-11-22/h3-6,8,14-16,22H,10-13H2,1-2H3,(H,35,39)(H2,32,33,34)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (aa 1-530)


(Homo sapiens (Human))
BDBM378898
PNG
(US10266537, Compound 13)
Show SMILES CC(C)n1nc(C#Cc2cc(ccc2C)C(=O)Nc2cc(CN3CCN(C)CC3)cc(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C31H33F3N8O/c1-19(2)42-29-27(28(35)36-18-37-29)26(39-42)8-7-22-15-23(6-5-20(22)3)30(43)38-25-14-21(13-24(16-25)31(32,33)34)17-41-11-9-40(4)10-12-41/h5-6,13-16,18-19H,9-12,17H2,1-4H3,(H,38,43)(H2,35,36,37)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM378888
PNG
(Preparation of 3-(4-amino-1-(piperidin-4-yl)-1H-py...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn(C(=O)OC(C)(C)C)c4ncnc(N)c34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C33H35F3N8O3/c1-20-6-7-22(30(45)40-24-10-8-23(25(17-24)33(34,35)36)18-43-14-12-42(5)13-15-43)16-21(20)9-11-26-27-28(37)38-19-39-29(27)44(41-26)31(46)47-32(2,3)4/h6-8,10,16-17,19H,12-15,18H2,1-5H3,(H,40,45)(H2,37,38,39)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (aa 1-530)


(Homo sapiens (Human))
BDBM50086585
PNG
(CHEMBL3426235 | US10266537, Compound 26)
Show SMILES CCn1nc(C#Cc2cc(ccc2Cl)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C29H28ClF3N8O/c1-3-41-27-25(26(34)35-17-36-27)24(38-41)9-6-18-14-19(5-8-23(18)30)28(42)37-21-7-4-20(22(15-21)29(31,32)33)16-40-12-10-39(2)11-13-40/h4-5,7-8,14-15,17H,3,10-13,16H2,1-2H3,(H,37,42)(H2,34,35,36)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM378887
PNG
(US10266537, Compound 31)
Show SMILES CN1CCC(CC1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
Show InChI InChI=1S/C28H26F3N7O/c1-17-6-8-21(35-27(39)19-4-3-5-20(14-19)28(29,30)31)15-18(17)7-9-23-24-25(32)33-16-34-26(24)38(36-23)22-10-12-37(2)13-11-22/h3-6,8,14-16,22H,10-13H2,1-2H3,(H,35,39)(H2,32,33,34)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (aa 1-530)


(Homo sapiens (Human))
BDBM378888
PNG
(Preparation of 3-(4-amino-1-(piperidin-4-yl)-1H-py...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn(C(=O)OC(C)(C)C)c4ncnc(N)c34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C33H35F3N8O3/c1-20-6-7-22(30(45)40-24-10-8-23(25(17-24)33(34,35)36)18-43-14-12-42(5)13-15-43)16-21(20)9-11-26-27-28(37)38-19-39-29(27)44(41-26)31(46)47-32(2,3)4/h6-8,10,16-17,19H,12-15,18H2,1-5H3,(H,40,45)(H2,37,38,39)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM378887
PNG
(US10266537, Compound 31)
Show SMILES CN1CCC(CC1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
Show InChI InChI=1S/C28H26F3N7O/c1-17-6-8-21(35-27(39)19-4-3-5-20(14-19)28(29,30)31)15-18(17)7-9-23-24-25(32)33-16-34-26(24)38(36-23)22-10-12-37(2)13-11-22/h3-6,8,14-16,22H,10-13H2,1-2H3,(H,35,39)(H2,32,33,34)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens (Human))
BDBM378888
PNG
(Preparation of 3-(4-amino-1-(piperidin-4-yl)-1H-py...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn(C(=O)OC(C)(C)C)c4ncnc(N)c34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C33H35F3N8O3/c1-20-6-7-22(30(45)40-24-10-8-23(25(17-24)33(34,35)36)18-43-14-12-42(5)13-15-43)16-21(20)9-11-26-27-28(37)38-19-39-29(27)44(41-26)31(46)47-32(2,3)4/h6-8,10,16-17,19H,12-15,18H2,1-5H3,(H,40,45)(H2,37,38,39)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM50086441
PNG
(CHEMBL3426225 | US10266537, Compound 3)
Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (aa 1-530)


(Homo sapiens (Human))
BDBM378894
PNG
(US10266537, Compound 9)
Show SMILES CC(C)n1nc(C#Cc2cc(ccc2Cl)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H30ClF3N8O/c1-18(2)42-28-26(27(35)36-17-37-28)25(39-42)9-6-19-14-20(5-8-24(19)31)29(43)38-22-7-4-21(23(15-22)30(32,33)34)16-41-12-10-40(3)11-13-41/h4-5,7-8,14-15,17-18H,10-13,16H2,1-3H3,(H,38,43)(H2,35,36,37)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (aa 1-530)


(Homo sapiens (Human))
BDBM50086442
PNG
(CHEMBL3426233 | US10266537, Compound 121)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn(C4CCN(CC4)C(=O)C=C)c4ncnc(N)c34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C36H38F3N9O2/c1-4-31(49)47-13-11-28(12-14-47)48-34-32(33(40)41-22-42-34)30(44-48)10-8-24-19-25(6-5-23(24)2)35(50)43-27-9-7-26(29(20-27)36(37,38)39)21-46-17-15-45(3)16-18-46/h4-7,9,19-20,22,28H,1,11-18,21H2,2-3H3,(H,43,50)(H2,40,41,42)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens (Human))
BDBM50086441
PNG
(CHEMBL3426225 | US10266537, Compound 3)
Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)
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n/an/a 16n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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n/an/a 16n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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n/an/a 16n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50086441
PNG
(CHEMBL3426225 | US10266537, Compound 3)
Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)
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n/an/a 17n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens (Human))
BDBM378887
PNG
(US10266537, Compound 31)
Show SMILES CN1CCC(CC1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
Show InChI InChI=1S/C28H26F3N7O/c1-17-6-8-21(35-27(39)19-4-3-5-20(14-19)28(29,30)31)15-18(17)7-9-23-24-25(32)33-16-34-26(24)38(36-23)22-10-12-37(2)13-11-22/h3-6,8,14-16,22H,10-13H2,1-2H3,(H,35,39)(H2,32,33,34)
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n/an/a 18n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM378887
PNG
(US10266537, Compound 31)
Show SMILES CN1CCC(CC1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
Show InChI InChI=1S/C28H26F3N7O/c1-17-6-8-21(35-27(39)19-4-3-5-20(14-19)28(29,30)31)15-18(17)7-9-23-24-25(32)33-16-34-26(24)38(36-23)22-10-12-37(2)13-11-22/h3-6,8,14-16,22H,10-13H2,1-2H3,(H,35,39)(H2,32,33,34)
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n/an/a 18n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor (T790M)


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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n/an/a 19n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM378887
PNG
(US10266537, Compound 31)
Show SMILES CN1CCC(CC1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
Show InChI InChI=1S/C28H26F3N7O/c1-17-6-8-21(35-27(39)19-4-3-5-20(14-19)28(29,30)31)15-18(17)7-9-23-24-25(32)33-16-34-26(24)38(36-23)22-10-12-37(2)13-11-22/h3-6,8,14-16,22H,10-13H2,1-2H3,(H,35,39)(H2,32,33,34)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM50086441
PNG
(CHEMBL3426225 | US10266537, Compound 3)
Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (aa 1-530)


(Homo sapiens (Human))
BDBM50086447
PNG
(CHEMBL3426227 | US10266537, Compound 7)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn(C4CCCC4)c4ncnc(N)c34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C33H35F3N8O/c1-21-7-8-23(17-22(21)10-12-28-29-30(37)38-20-39-31(29)44(41-28)26-5-3-4-6-26)32(45)40-25-11-9-24(27(18-25)33(34,35)36)19-43-15-13-42(2)14-16-43/h7-9,11,17-18,20,26H,3-6,13-16,19H2,1-2H3,(H,40,45)(H2,37,38,39)
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n/an/a 19n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (aa 1-530)


(Homo sapiens (Human))
BDBM378910
PNG
(US10266537, Compound 30)
Show SMILES CC(C)Nc1ncnc(N)c1C(=N)C#Cc1cc(NC(=O)Nc2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C25H24F3N7O/c1-14(2)33-23-21(22(30)31-13-32-23)20(29)10-8-16-11-19(9-7-15(16)3)35-24(36)34-18-6-4-5-17(12-18)25(26,27)28/h4-7,9,11-14,29H,1-3H3,(H2,34,35,36)(H3,30,31,32,33)
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n/an/a 20n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM50086442
PNG
(CHEMBL3426233 | US10266537, Compound 121)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn(C4CCN(CC4)C(=O)C=C)c4ncnc(N)c34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C36H38F3N9O2/c1-4-31(49)47-13-11-28(12-14-47)48-34-32(33(40)41-22-42-34)30(44-48)10-8-24-19-25(6-5-23(24)2)35(50)43-27-9-7-26(29(20-27)36(37,38)39)21-46-17-15-45(3)16-18-46/h4-7,9,19-20,22,28H,1,11-18,21H2,2-3H3,(H,43,50)(H2,40,41,42)
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n/an/a 22n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM378887
PNG
(US10266537, Compound 31)
Show SMILES CN1CCC(CC1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
Show InChI InChI=1S/C28H26F3N7O/c1-17-6-8-21(35-27(39)19-4-3-5-20(14-19)28(29,30)31)15-18(17)7-9-23-24-25(32)33-16-34-26(24)38(36-23)22-10-12-37(2)13-11-22/h3-6,8,14-16,22H,10-13H2,1-2H3,(H,35,39)(H2,32,33,34)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens (Human))
BDBM50086441
PNG
(CHEMBL3426225 | US10266537, Compound 3)
Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)
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n/an/a 23n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens (Human))
BDBM50086441
PNG
(CHEMBL3426225 | US10266537, Compound 3)
Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50086441
PNG
(CHEMBL3426225 | US10266537, Compound 3)
Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50086441
PNG
(CHEMBL3426225 | US10266537, Compound 3)
Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens (Human))
BDBM378888
PNG
(Preparation of 3-(4-amino-1-(piperidin-4-yl)-1H-py...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn(C(=O)OC(C)(C)C)c4ncnc(N)c34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C33H35F3N8O3/c1-20-6-7-22(30(45)40-24-10-8-23(25(17-24)33(34,35)36)18-43-14-12-42(5)13-15-43)16-21(20)9-11-26-27-28(37)38-19-39-29(27)44(41-26)31(46)47-32(2,3)4/h6-8,10,16-17,19H,12-15,18H2,1-5H3,(H,40,45)(H2,37,38,39)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (T341M)


(Homo sapiens (Human))
BDBM50086441
PNG
(CHEMBL3426225 | US10266537, Compound 3)
Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50086442
PNG
(CHEMBL3426233 | US10266537, Compound 121)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn(C4CCN(CC4)C(=O)C=C)c4ncnc(N)c34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C36H38F3N9O2/c1-4-31(49)47-13-11-28(12-14-47)48-34-32(33(40)41-22-42-34)30(44-48)10-8-24-19-25(6-5-23(24)2)35(50)43-27-9-7-26(29(20-27)36(37,38)39)21-46-17-15-45(3)16-18-46/h4-7,9,19-20,22,28H,1,11-18,21H2,2-3H3,(H,43,50)(H2,40,41,42)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (aa 1-530)


(Homo sapiens (Human))
BDBM50086573
PNG
(CHEMBL3426239 | US10266537, Compound 24)
Show SMILES CCn1nc(C#Cc2cc(ccc2OC)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O2/c1-4-41-28-26(27(34)35-18-36-28)24(38-41)9-6-19-15-20(7-10-25(19)43-3)29(42)37-22-8-5-21(23(16-22)30(31,32)33)17-40-13-11-39(2)12-14-40/h5,7-8,10,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM50086441
PNG
(CHEMBL3426225 | US10266537, Compound 3)
Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50086441
PNG
(CHEMBL3426225 | US10266537, Compound 3)
Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM378887
PNG
(US10266537, Compound 31)
Show SMILES CN1CCC(CC1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
Show InChI InChI=1S/C28H26F3N7O/c1-17-6-8-21(35-27(39)19-4-3-5-20(14-19)28(29,30)31)15-18(17)7-9-23-24-25(32)33-16-34-26(24)38(36-23)22-10-12-37(2)13-11-22/h3-6,8,14-16,22H,10-13H2,1-2H3,(H,35,39)(H2,32,33,34)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (aa 1-530)


(Homo sapiens (Human))
BDBM50086584
PNG
(CHEMBL3426236 | US10266537, Compound 10)
Show SMILES CCc1ccc(cc1C#Cc1nn(CC)c2ncnc(N)c12)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C31H33F3N8O/c1-4-20-6-7-22(16-21(20)9-11-26-27-28(35)36-19-37-29(27)42(5-2)39-26)30(43)38-24-10-8-23(25(17-24)31(32,33)34)18-41-14-12-40(3)13-15-41/h6-8,10,16-17,19H,4-5,12-15,18H2,1-3H3,(H,38,43)(H2,35,36,37)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
B-RAF V600E


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM378888
PNG
(Preparation of 3-(4-amino-1-(piperidin-4-yl)-1H-py...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn(C(=O)OC(C)(C)C)c4ncnc(N)c34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C33H35F3N8O3/c1-20-6-7-22(30(45)40-24-10-8-23(25(17-24)33(34,35)36)18-43-14-12-42(5)13-15-43)16-21(20)9-11-26-27-28(37)38-19-39-29(27)44(41-26)31(46)47-32(2,3)4/h6-8,10,16-17,19H,12-15,18H2,1-5H3,(H,40,45)(H2,37,38,39)
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St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50086441
PNG
(CHEMBL3426225 | US10266537, Compound 3)
Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)
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n/an/a 92n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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n/an/a 110n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Mus musculus)
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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n/an/a 116n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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n/an/a 121n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM378887
PNG
(US10266537, Compound 31)
Show SMILES CN1CCC(CC1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
Show InChI InChI=1S/C28H26F3N7O/c1-17-6-8-21(35-27(39)19-4-3-5-20(14-19)28(29,30)31)15-18(17)7-9-23-24-25(32)33-16-34-26(24)38(36-23)22-10-12-37(2)13-11-22/h3-6,8,14-16,22H,10-13H2,1-2H3,(H,35,39)(H2,32,33,34)
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n/an/a 127n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50086441
PNG
(CHEMBL3426225 | US10266537, Compound 3)
Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)
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n/an/a 128n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
ABL Mutant (T315I)


(Homo sapiens (Human))
BDBM50086442
PNG
(CHEMBL3426233 | US10266537, Compound 121)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn(C4CCN(CC4)C(=O)C=C)c4ncnc(N)c34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C36H38F3N9O2/c1-4-31(49)47-13-11-28(12-14-47)48-34-32(33(40)41-22-42-34)30(44-48)10-8-24-19-25(6-5-23(24)2)35(50)43-27-9-7-26(29(20-27)36(37,38)39)21-46-17-15-45(3)16-18-46/h4-7,9,19-20,22,28H,1,11-18,21H2,2-3H3,(H,43,50)(H2,40,41,42)
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n/an/a 133n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (aa 1-530)


(Homo sapiens (Human))
BDBM378897
PNG
(US10266537, Compound 12)
Show SMILES CC(C)n1nc(C#Cc2cc(ccc2C)C(=O)Nc2cc(cc(c2)C(F)(F)F)-n2cnc(C)c2)c2c(N)ncnc12
Show InChI InChI=1S/C29H25F3N8O/c1-16(2)40-27-25(26(33)34-14-35-27)24(38-40)8-7-19-9-20(6-5-17(19)3)28(41)37-22-10-21(29(30,31)32)11-23(12-22)39-13-18(4)36-15-39/h5-6,9-16H,1-4H3,(H,37,41)(H2,33,34,35)
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n/an/a 139n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase alpha/beta


(Homo sapiens (Human))
BDBM50086441
PNG
(CHEMBL3426225 | US10266537, Compound 3)
Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)
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n/an/a 164n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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n/an/a 165n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
TAK1/TAB1


(Homo sapiens (Human))
BDBM378887
PNG
(US10266537, Compound 31)
Show SMILES CN1CCC(CC1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
Show InChI InChI=1S/C28H26F3N7O/c1-17-6-8-21(35-27(39)19-4-3-5-20(14-19)28(29,30)31)15-18(17)7-9-23-24-25(32)33-16-34-26(24)38(36-23)22-10-12-37(2)13-11-22/h3-6,8,14-16,22H,10-13H2,1-2H3,(H,35,39)(H2,32,33,34)
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n/an/a 203n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM378887
PNG
(US10266537, Compound 31)
Show SMILES CN1CCC(CC1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
Show InChI InChI=1S/C28H26F3N7O/c1-17-6-8-21(35-27(39)19-4-3-5-20(14-19)28(29,30)31)15-18(17)7-9-23-24-25(32)33-16-34-26(24)38(36-23)22-10-12-37(2)13-11-22/h3-6,8,14-16,22H,10-13H2,1-2H3,(H,35,39)(H2,32,33,34)
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n/an/a 251n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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n/an/a 255n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase alpha/beta


(Homo sapiens (Human))
BDBM50086441
PNG
(CHEMBL3426225 | US10266537, Compound 3)
Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)
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n/an/a 353n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM378887
PNG
(US10266537, Compound 31)
Show SMILES CN1CCC(CC1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
Show InChI InChI=1S/C28H26F3N7O/c1-17-6-8-21(35-27(39)19-4-3-5-20(14-19)28(29,30)31)15-18(17)7-9-23-24-25(32)33-16-34-26(24)38(36-23)22-10-12-37(2)13-11-22/h3-6,8,14-16,22H,10-13H2,1-2H3,(H,35,39)(H2,32,33,34)
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n/an/a 396n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50086441
PNG
(CHEMBL3426225 | US10266537, Compound 3)
Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)
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n/an/a 578n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM378885
PNG
(US10266537, Compound 93)
Show SMILES Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1/C29H27F3N6O2/c1-16-4-7-20(36-28(40)19-5-3-17(2)23(14-19)29(30,31)32)13-18(16)6-12-24-25-26(33)34-15-35-27(25)38(37-24)21-8-10-22(39)11-9-21/h3-5,7,13-15,21-22,39H,8-11H2,1-2H3,(H,36,40)(H2,33,34,35)/t21-,22-
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n/an/a 651n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50086441
PNG
(CHEMBL3426225 | US10266537, Compound 3)
Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)
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n/an/a 890n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50086441
PNG
(CHEMBL3426225 | US10266537, Compound 3)
Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)
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n/an/a 2.91E+3n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (aa 1-530)


(Homo sapiens (Human))
BDBM50086458
PNG
(CHEMBL3426240 | US10266537, Compound 25)
Show SMILES CCn1nc(C#Cc2cc(ccc2O)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C29H29F3N8O2/c1-3-40-27-25(26(33)34-17-35-27)23(37-40)8-5-18-14-19(6-9-24(18)41)28(42)36-21-7-4-20(22(15-21)29(30,31)32)16-39-12-10-38(2)11-13-39/h4,6-7,9,14-15,17,41H,3,10-13,16H2,1-2H3,(H,36,42)(H2,33,34,35)
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n/an/a 3.19E+3n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50086441
PNG
(CHEMBL3426225 | US10266537, Compound 3)
Show SMILES CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31F3N8O/c1-4-41-28-26(27(34)35-18-36-28)25(38-41)10-8-20-15-21(6-5-19(20)2)29(42)37-23-9-7-22(24(16-23)30(31,32)33)17-40-13-11-39(3)12-14-40/h5-7,9,15-16,18H,4,11-14,17H2,1-3H3,(H,37,42)(H2,34,35,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 3.52E+3n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (T341M)


(Homo sapiens (Human))
BDBM378887
PNG
(US10266537, Compound 31)
Show SMILES CN1CCC(CC1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
Show InChI InChI=1S/C28H26F3N7O/c1-17-6-8-21(35-27(39)19-4-3-5-20(14-19)28(29,30)31)15-18(17)7-9-23-24-25(32)33-16-34-26(24)38(36-23)22-10-12-37(2)13-11-22/h3-6,8,14-16,22H,10-13H2,1-2H3,(H,35,39)(H2,32,33,34)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.73E+3n/an/an/an/an/an/a



St. Chuan University

US Patent


Assay Description
The aim of this experiment is to detect the inhibitory activity of the compounds of the present invention against in vitro protein kinases using isot...


US Patent US10266537 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%