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Patent code US9580432

Compile Data Set for Download or QSAR
Found 134 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
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM291270
PNG
((R)-tert-butyl 3-(4-amino-3-iodo-1H-pyrazolo[3,4-d...)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C21H19ClN8O3/c1-2-15(31)29-7-3-4-12(9-29)30-19-16(18(23)24-10-25-19)17(28-30)20(32)27-21-26-13-8-11(22)5-6-14(13)33-21/h2,5-6,8,10,12H,1,3-4,7,9H2,(H2,23,24,25)(H,26,27,32)/t12-/m1/s1
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n/an/a 0.415n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291281
PNG
(US9580432, Example 12)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4cc(F)ccc4o3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C21H19FN8O3/c1-2-15(31)29-7-3-4-12(9-29)30-19-16(18(23)24-10-25-19)17(28-30)20(32)27-21-26-13-8-11(22)5-6-14(13)33-21/h2,5-6,8,10,12H,1,3-4,7,9H2,(H2,23,24,25)(H,26,27,32)/t12-/m1/s1
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n/an/a 0.433n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291310
PNG
(US9580432, Example 41)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4cc(ccc4o3)-c3ccccc3)c12)[C@@H]1CCN(C1)C(=O)C=C
Show InChI InChI=1S/C26H23N8O3/c1-2-20(35)33-11-10-17(13-33)34-24-21(23(27)28-14-29-24)22(32-34)25(36)31-26-30-18-12-16(8-9-19(18)37-26)15-6-4-3-5-7-15/h2-9,12,14,17,30H,1,10-11,13H2,(H,31,36)(H2,27,28,29)/t17-/m1/s1
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n/an/a 0.442n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291272
PNG
((R)-4-amino-1-(1-(tert-butyloxycarbonyl)pyrrolidin...)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4cc(ccc4o3)-c3cccs3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C25H22N8O3S/c1-2-19(34)32-9-3-5-15(12-32)33-23-20(22(26)27-13-28-23)21(31-33)24(35)30-25-29-16-11-14(7-8-17(16)36-25)18-6-4-10-37-18/h2,4,6-8,10-11,13,15H,1,3,5,9,12H2,(H2,26,27,28)(H,29,30,35)/t15-/m1/s1
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n/an/a 0.443n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291276
PNG
(US9580432, Example 7)
Show SMILES COc1ccc2oc(NC(=O)c3nn([C@@H]4CCCN(C4)C(=O)C=C)c4ncnc(N)c34)nc2c1
Show InChI InChI=1S/C22H22N8O4/c1-3-16(31)29-8-4-5-12(10-29)30-20-17(19(23)24-11-25-20)18(28-30)21(32)27-22-26-14-9-13(33-2)6-7-15(14)34-22/h3,6-7,9,11-12H,1,4-5,8,10H2,2H3,(H2,23,24,25)(H,26,27,32)/t12-/m1/s1
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n/an/a 0.457n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291271
PNG
((R)-4-amino-1-(1-(tert-butyloxycarbonyl)piperidin-...)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4cc(Br)ccc4o3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C21H19BrN8O3/c1-2-15(31)29-7-3-4-12(9-29)30-19-16(18(23)24-10-25-19)17(28-30)20(32)27-21-26-13-8-11(22)5-6-14(13)33-21/h2,5-6,8,10,12H,1,3-4,7,9H2,(H2,23,24,25)(H,26,27,32)/t12-/m1/s1
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n/an/a 0.464n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291298
PNG
(US9580432, Example 29)
Show SMILES Cc1ccc2oc(NC(=O)c3nn([C@@H]4CCN(C4)C(=O)C=C)c4ncnc(N)c34)nc2c1
Show InChI InChI=1S/C21H20N8O3/c1-3-15(30)28-7-6-12(9-28)29-19-16(18(22)23-10-24-19)17(27-29)20(31)26-21-25-13-8-11(2)4-5-14(13)32-21/h3-5,8,10,12H,1,6-7,9H2,2H3,(H2,22,23,24)(H,25,26,31)/t12-/m1/s1
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n/an/a 0.485n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291312
PNG
(US9580432, Example 43)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4cc(ccc4o3)C(F)(F)F)c12)[C@@H]1CCN(C1)C(=O)C=C
Show InChI InChI=1S/C21H18F3N8O3/c1-2-14(33)31-6-5-11(8-31)32-18-15(17(25)26-9-27-18)16(30-32)19(34)29-20-28-12-7-10(21(22,23)24)3-4-13(12)35-20/h2-4,7,9,11,28H,1,5-6,8H2,(H,29,34)(H2,25,26,27)/t11-/m1/s1
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n/an/a 0.546n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291297
PNG
(US9580432, Example 28)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4cc(ccc4o3)-c3cccs3)c12)[C@@H]1CCN(C1)C(=O)C=C
Show InChI InChI=1S/C24H20N8O3S/c1-2-18(33)31-8-7-14(11-31)32-22-19(21(25)26-12-27-22)20(30-32)23(34)29-24-28-15-10-13(5-6-16(15)35-24)17-4-3-9-36-17/h2-6,9-10,12,14H,1,7-8,11H2,(H2,25,26,27)(H,28,29,34)/t14-/m1/s1
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n/an/a 0.559n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291299
PNG
(US9580432, Example 30)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4cc(F)ccc4o3)c12)[C@@H]1CCN(C1)C(=O)C=C
Show InChI InChI=1S/C20H17FN8O3/c1-2-14(30)28-6-5-11(8-28)29-18-15(17(22)23-9-24-18)16(27-29)19(31)26-20-25-12-7-10(21)3-4-13(12)32-20/h2-4,7,9,11H,1,5-6,8H2,(H2,22,23,24)(H,25,26,31)/t11-/m1/s1
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n/an/a 0.566n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291293
PNG
(US9580432, Example 24 | US9580432, Example 48)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12)[C@@H]1CCN(C1)C(=O)C=C
Show InChI InChI=1S/C20H17ClN8O3/c1-2-14(30)28-6-5-11(8-28)29-18-15(17(22)23-9-24-18)16(27-29)19(31)26-20-25-12-7-10(21)3-4-13(12)32-20/h2-4,7,9,11H,1,5-6,8H2,(H2,22,23,24)(H,25,26,31)/t11-/m1/s1
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n/an/a 0.591n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291301
PNG
(US9580432, Example 32)
Show SMILES CN(C)C\C=C\C(=O)N1CC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C23H24ClN9O3/c1-31(2)8-3-4-17(34)32-9-7-14(11-32)33-21-18(20(25)26-12-27-21)19(30-33)22(35)29-23-28-15-10-13(24)5-6-16(15)36-23/h3-6,10,12,14H,7-9,11H2,1-2H3,(H2,25,26,27)(H,28,29,35)/b4-3+/t14-/m1/s1
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n/an/a 0.634n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291288
PNG
(US9580432, Example 19)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12)[C@@H]1CCCN(C1)C(=O)\C=C\CN1CCCC1
Show InChI InChI=1S/C26H28ClN9O3/c27-16-7-8-19-18(13-16)31-26(39-19)32-25(38)22-21-23(28)29-15-30-24(21)36(33-22)17-5-3-12-35(14-17)20(37)6-4-11-34-9-1-2-10-34/h4,6-8,13,15,17H,1-3,5,9-12,14H2,(H2,28,29,30)(H,31,32,38)/b6-4+/t17-/m1/s1
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n/an/a 0.690n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291285
PNG
(US9580432, Example 16)
Show SMILES CCN(C)C\C=C\C(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C25H28ClN9O3/c1-3-33(2)10-5-7-19(36)34-11-4-6-16(13-34)35-23-20(22(27)28-14-29-23)21(32-35)24(37)31-25-30-17-12-15(26)8-9-18(17)38-25/h5,7-9,12,14,16H,3-4,6,10-11,13H2,1-2H3,(H2,27,28,29)(H,30,31,37)/b7-5+/t16-/m1/s1
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n/an/a 0.733n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291275
PNG
(US9580432, Example 6)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4ccc(cc4o3)C#N)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C22H19N9O3/c1-2-16(32)30-7-3-4-13(10-30)31-20-17(19(24)25-11-26-20)18(29-31)21(33)28-22-27-14-6-5-12(9-23)8-15(14)34-22/h2,5-6,8,11,13H,1,3-4,7,10H2,(H2,24,25,26)(H,27,28,33)/t13-/m1/s1
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n/an/a 0.738n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291311
PNG
(US9580432, Example 42)
Show SMILES CN(C)C\C=C\C(=O)N1CC[C@H](C1)n1nc(C(=O)Nc2nc3cc(ccc3o2)-c2ccccc2)c2c(N)ncnc12
Show InChI InChI=1S/C29H29N9O3/c1-36(2)13-6-9-23(39)37-14-12-20(16-37)38-27-24(26(30)31-17-32-27)25(35-38)28(40)34-29-33-21-15-19(10-11-22(21)41-29)18-7-4-3-5-8-18/h3-11,15,17,20H,12-14,16H2,1-2H3,(H2,30,31,32)(H,33,34,40)/b9-6+/t20-/m1/s1
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n/an/a 0.771n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291290
PNG
(US9580432, Example 21)
Show SMILES CN(C)C\C=C\C(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3cc(ccc3o2)-c2cccs2)c2c(N)ncnc12
Show InChI InChI=1S/C28H29N9O3S/c1-35(2)11-4-8-22(38)36-12-3-6-18(15-36)37-26-23(25(29)30-16-31-26)24(34-37)27(39)33-28-32-19-14-17(9-10-20(19)40-28)21-7-5-13-41-21/h4-5,7-10,13-14,16,18H,3,6,11-12,15H2,1-2H3,(H2,29,30,31)(H,32,33,39)/b8-4+/t18-/m1/s1
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n/an/a 0.777n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291306
PNG
(US9580432, Example 37)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12)[C@@H]1CCN(C1)C(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C26H28ClN9O3/c27-16-6-7-19-18(13-16)31-26(39-19)32-25(38)22-21-23(28)29-15-30-24(21)36(33-22)17-8-12-35(14-17)20(37)5-4-11-34-9-2-1-3-10-34/h4-7,13,15,17H,1-3,8-12,14H2,(H2,28,29,30)(H,31,32,38)/b5-4+/t17-/m1/s1
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n/an/a 0.786n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291284
PNG
(US9580432, Example 15)
Show SMILES CN(C)C\C=C\C(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C24H26ClN9O3/c1-32(2)9-4-6-18(35)33-10-3-5-15(12-33)34-22-19(21(26)27-13-28-22)20(31-34)23(36)30-24-29-16-11-14(25)7-8-17(16)37-24/h4,6-8,11,13,15H,3,5,9-10,12H2,1-2H3,(H2,26,27,28)(H,29,30,36)/b6-4+/t15-/m1/s1
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n/an/a 0.786n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291287
PNG
(US9580432, Example 18)
Show SMILES CC(C)N(C)C\C=C\C(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C26H30ClN9O3/c1-15(2)34(3)10-5-7-20(37)35-11-4-6-17(13-35)36-24-21(23(28)29-14-30-24)22(33-36)25(38)32-26-31-18-12-16(27)8-9-19(18)39-26/h5,7-9,12,14-15,17H,4,6,10-11,13H2,1-3H3,(H2,28,29,30)(H,31,32,38)/b7-5+/t17-/m1/s1
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n/an/a 0.788n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291303
PNG
(US9580432, Example 34)
Show SMILES CCN(CC)C\C=C\C(=O)N1CC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C25H28ClN9O3/c1-3-33(4-2)10-5-6-19(36)34-11-9-16(13-34)35-23-20(22(27)28-14-29-23)21(32-35)24(37)31-25-30-17-12-15(26)7-8-18(17)38-25/h5-8,12,14,16H,3-4,9-11,13H2,1-2H3,(H2,27,28,29)(H,30,31,37)/b6-5+/t16-/m1/s1
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n/an/a 0.790n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291304
PNG
(US9580432, Example 35)
Show SMILES CC(C)N(C)C\C=C\C(=O)N1CC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C25H28ClN9O3/c1-14(2)33(3)9-4-5-19(36)34-10-8-16(12-34)35-23-20(22(27)28-13-29-23)21(32-35)24(37)31-25-30-17-11-15(26)6-7-18(17)38-25/h4-7,11,13-14,16H,8-10,12H2,1-3H3,(H2,27,28,29)(H,30,31,37)/b5-4+/t16-/m1/s1
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n/an/a 0.792n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291324
PNG
(US9580432, Example 55)
Show SMILES Nc1ncnc2n(cc(C(=O)Nc3nc4cc(ccc4o3)-c3ccccc3)c12)[C@@H]1CCN(C1)C(=O)C=C
Show InChI InChI=1S/C27H23N7O3/c1-2-22(35)33-11-10-18(13-33)34-14-19(23-24(28)29-15-30-25(23)34)26(36)32-27-31-20-12-17(8-9-21(20)37-27)16-6-4-3-5-7-16/h2-9,12,14-15,18H,1,10-11,13H2,(H2,28,29,30)(H,31,32,36)/t18-/m1/s1
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n/an/a 0.799n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291289
PNG
(US9580432, Example 20)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12)[C@@H]1CCCN(C1)C(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C27H30ClN9O3/c28-17-8-9-20-19(14-17)32-27(40-20)33-26(39)23-22-24(29)30-16-31-25(22)37(34-23)18-6-4-13-36(15-18)21(38)7-5-12-35-10-2-1-3-11-35/h5,7-9,14,16,18H,1-4,6,10-13,15H2,(H2,29,30,31)(H,32,33,39)/b7-5+/t18-/m1/s1
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n/an/a 0.801n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291286
PNG
(US9580432, Example 17)
Show SMILES CCN(CC)C\C=C\C(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C26H30ClN9O3/c1-3-34(4-2)11-6-8-20(37)35-12-5-7-17(14-35)36-24-21(23(28)29-15-30-24)22(33-36)25(38)32-26-31-18-13-16(27)9-10-19(18)39-26/h6,8-10,13,15,17H,3-5,7,11-12,14H2,1-2H3,(H2,28,29,30)(H,31,32,38)/b8-6+/t17-/m1/s1
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n/an/a 0.811n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291282
PNG
(US9580432, Example 13)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4ccccc4o3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C21H20N8O3/c1-2-15(30)28-9-5-6-12(10-28)29-19-16(18(22)23-11-24-19)17(27-29)20(31)26-21-25-13-7-3-4-8-14(13)32-21/h2-4,7-8,11-12H,1,5-6,9-10H2,(H2,22,23,24)(H,25,26,31)/t12-/m1/s1
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n/an/a 0.813n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291293
PNG
(US9580432, Example 24 | US9580432, Example 48)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12)[C@@H]1CCN(C1)C(=O)C=C
Show InChI InChI=1S/C20H17ClN8O3/c1-2-14(30)28-6-5-11(8-28)29-18-15(17(22)23-9-24-18)16(27-29)19(31)26-20-25-12-7-10(21)3-4-13(12)32-20/h2-4,7,9,11H,1,5-6,8H2,(H2,22,23,24)(H,25,26,31)/t11-/m1/s1
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n/an/a 0.836n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291305
PNG
(US9580432, Example 36)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12)[C@@H]1CCN(C1)C(=O)\C=C\CN1CCCC1
Show InChI InChI=1S/C25H26ClN9O3/c26-15-5-6-18-17(12-15)30-25(38-18)31-24(37)21-20-22(27)28-14-29-23(20)35(32-21)16-7-11-34(13-16)19(36)4-3-10-33-8-1-2-9-33/h3-6,12,14,16H,1-2,7-11,13H2,(H2,27,28,29)(H,30,31,37)/b4-3+/t16-/m1/s1
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n/an/a 0.867n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291313
PNG
(US9580432, Example 44)
Show SMILES CN(C)C\C=C\C(=O)N1CC[C@H](C1)n1nc(C(=O)Nc2nc3cc(ccc3o2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C24H24F3N9O3/c1-34(2)8-3-4-17(37)35-9-7-14(11-35)36-21-18(20(28)29-12-30-21)19(33-36)22(38)32-23-31-15-10-13(24(25,26)27)5-6-16(15)39-23/h3-6,10,12,14H,7-9,11H2,1-2H3,(H2,28,29,30)(H,31,32,38)/b4-3+/t14-/m1/s1
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n/an/a 0.877n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291302
PNG
(US9580432, Example 33)
Show SMILES CCN(C)C\C=C\C(=O)N1CC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C24H26ClN9O3/c1-3-32(2)9-4-5-18(35)33-10-8-15(12-33)34-22-19(21(26)27-13-28-22)20(31-34)23(36)30-24-29-16-11-14(25)6-7-17(16)37-24/h4-7,11,13,15H,3,8-10,12H2,1-2H3,(H2,26,27,28)(H,29,30,36)/b5-4+/t15-/m1/s1
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n/an/a 0.887n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291273
PNG
(5-cyanobenzo[d]oxazol-2-amine | US9580432, Example...)
Show SMILES CC(=C)C(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C22H21ClN8O3/c1-11(2)21(33)30-7-3-4-13(9-30)31-19-16(18(24)25-10-26-19)17(29-31)20(32)28-22-27-14-8-12(23)5-6-15(14)34-22/h5-6,8,10,13H,1,3-4,7,9H2,2H3,(H2,24,25,26)(H,27,28,32)/t13-/m1/s1
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n/an/a 0.888n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291307
PNG
(US9580432, Example 38)
Show SMILES COc1ccc2oc(NC(=O)c3nn([C@@H]4CCN(C4)C(=O)C=C)c4ncnc(N)c34)nc2c1
Show InChI InChI=1S/C21H20N8O4/c1-3-15(30)28-7-6-11(9-28)29-19-16(18(22)23-10-24-19)17(27-29)20(31)26-21-25-13-8-12(32-2)4-5-14(13)33-21/h3-5,8,10-11H,1,6-7,9H2,2H3,(H2,22,23,24)(H,25,26,31)/t11-/m1/s1
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n/an/a 0.888n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291308
PNG
(US9580432, Example 39)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4cc(ccc4o3)C#N)c12)[C@@H]1CCN(C1)C(=O)C=C
Show InChI InChI=1S/C21H17N9O3/c1-2-15(31)29-6-5-12(9-29)30-19-16(18(23)24-10-25-19)17(28-30)20(32)27-21-26-13-7-11(8-22)3-4-14(13)33-21/h2-4,7,10,12H,1,5-6,9H2,(H2,23,24,25)(H,26,27,32)/t12-/m1/s1
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n/an/a 1.12n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291294
PNG
(US9580432, Example 25)
Show SMILES C\C=C\C(=O)N1CC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C21H19ClN8O3/c1-2-3-15(31)29-7-6-12(9-29)30-19-16(18(23)24-10-25-19)17(28-30)20(32)27-21-26-13-8-11(22)4-5-14(13)33-21/h2-5,8,10,12H,6-7,9H2,1H3,(H2,23,24,25)(H,26,27,32)/b3-2+/t12-/m1/s1
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291321
PNG
(US9580432, Example 52)
Show SMILES CC(C)N(C)C\C=C\C(=O)N1CC[C@H](C1)n1cc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C26H29ClN8O3/c1-15(2)33(3)9-4-5-21(36)34-10-8-17(12-34)35-13-18(22-23(28)29-14-30-24(22)35)25(37)32-26-31-19-11-16(27)6-7-20(19)38-26/h4-7,11,13-15,17H,8-10,12H2,1-3H3,(H2,28,29,30)(H,31,32,37)/b5-4+/t17-/m1/s1
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291314
PNG
(US9580432, Example 45)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12)C1CN(C1)C(=O)C=C
Show InChI InChI=1S/C19H15ClN8O3/c1-2-13(29)27-6-10(7-27)28-17-14(16(21)22-8-23-17)15(26-28)18(30)25-19-24-11-5-9(20)3-4-12(11)31-19/h2-5,8,10H,1,6-7H2,(H2,21,22,23)(H,24,25,30)
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291274
PNG
(US9580432, Example 5)
Show SMILES C\C=C\C(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C22H21ClN8O3/c1-2-4-16(32)30-8-3-5-13(10-30)31-20-17(19(24)25-11-26-20)18(29-31)21(33)28-22-27-14-9-12(23)6-7-15(14)34-22/h2,4,6-7,9,11,13H,3,5,8,10H2,1H3,(H2,24,25,26)(H,27,28,33)/b4-2+/t13-/m1/s1
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291277
PNG
(US9580432, Example 8)
Show SMILES COCCc1ccc2oc(NC(=O)c3nn([C@@H]4CCCN(C4)C(=O)C=C)c4ncnc(N)c34)nc2c1
Show InChI InChI=1S/C24H26N8O4/c1-3-18(33)31-9-4-5-15(12-31)32-22-19(21(25)26-13-27-22)20(30-32)23(34)29-24-28-16-11-14(8-10-35-2)6-7-17(16)36-24/h3,6-7,11,13,15H,1,4-5,8-10,12H2,2H3,(H2,25,26,27)(H,28,29,34)/t15-/m1/s1
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM50357312
PNG
(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
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US Patent
n/an/a 1.30n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291325
PNG
(US9580432, Example 56)
Show SMILES CN(C)C\C=C\C(=O)N1CC[C@H](C1)n1cc(C(=O)Nc2nc3cc(ccc3o2)-c2ccccc2)c2c(N)ncnc12
Show InChI InChI=1S/C30H30N8O3/c1-36(2)13-6-9-25(39)37-14-12-21(16-37)38-17-22(26-27(31)32-18-33-28(26)38)29(40)35-30-34-23-15-20(10-11-24(23)41-30)19-7-4-3-5-8-19/h3-11,15,17-18,21H,12-14,16H2,1-2H3,(H2,31,32,33)(H,34,35,40)/b9-6+/t21-/m1/s1
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291278
PNG
(US9580432, Example 9)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4ncccc4o3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C20H19N9O3/c1-2-13(30)28-8-4-5-11(9-28)29-18-14(16(21)23-10-24-18)15(27-29)19(31)26-20-25-17-12(32-20)6-3-7-22-17/h2-3,6-7,10-11H,1,4-5,8-9H2,(H2,21,23,24)(H,22,25,26,31)/t11-/m1/s1
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291319
PNG
(US9580432, Example 50)
Show SMILES CCN(C)C\C=C\C(=O)N1CC[C@H](C1)n1cc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C25H27ClN8O3/c1-3-32(2)9-4-5-20(35)33-10-8-16(12-33)34-13-17(21-22(27)28-14-29-23(21)34)24(36)31-25-30-18-11-15(26)6-7-19(18)37-25/h4-7,11,13-14,16H,3,8-10,12H2,1-2H3,(H2,27,28,29)(H,30,31,36)/b5-4+/t16-/m1/s1
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291296
PNG
(US9580432, Example 27)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4ccccc4o3)c12)[C@@H]1CCN(C1)C(=O)C=C
Show InChI InChI=1S/C20H18N8O3/c1-2-14(29)27-8-7-11(9-27)28-18-15(17(21)22-10-23-18)16(26-28)19(30)25-20-24-12-5-3-4-6-13(12)31-20/h2-6,10-11H,1,7-9H2,(H2,21,22,23)(H,24,25,30)/t11-/m1/s1
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291323
PNG
(US9580432, Example 54)
Show SMILES Nc1ncnc2n(cc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12)[C@@H]1CCN(C1)C(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C27H29ClN8O3/c28-17-6-7-21-20(13-17)32-27(39-21)33-26(38)19-15-36(25-23(19)24(29)30-16-31-25)18-8-12-35(14-18)22(37)5-4-11-34-9-2-1-3-10-34/h4-7,13,15-16,18H,1-3,8-12,14H2,(H2,29,30,31)(H,32,33,38)/b5-4+/t18-/m1/s1
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291320
PNG
(US9580432, Example 51)
Show SMILES CCN(CC)C\C=C\C(=O)N1CC[C@H](C1)n1cc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C26H29ClN8O3/c1-3-33(4-2)10-5-6-21(36)34-11-9-17(13-34)35-14-18(22-23(28)29-15-30-24(22)35)25(37)32-26-31-19-12-16(27)7-8-20(19)38-26/h5-8,12,14-15,17H,3-4,9-11,13H2,1-2H3,(H2,28,29,30)(H,31,32,37)/b6-5+/t17-/m1/s1
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291326
PNG
(US9580432, Example 57)
Show SMILES CCN(C)C\C=C\C(=O)N1CC[C@H](C1)n1cc(C(=O)Nc2nc3cc(ccc3o2)-c2ccccc2)c2c(N)ncnc12
Show InChI InChI=1S/C31H32N8O3/c1-3-37(2)14-7-10-26(40)38-15-13-22(17-38)39-18-23(27-28(32)33-19-34-29(27)39)30(41)36-31-35-24-16-21(11-12-25(24)42-31)20-8-5-4-6-9-20/h4-12,16,18-19,22H,3,13-15,17H2,1-2H3,(H2,32,33,34)(H,35,36,41)/b10-7+/t22-/m1/s1
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291328
PNG
(US9580432, Example 59)
Show SMILES CC(C)N(C)C\C=C\C(=O)N1CC[C@H](C1)n1cc(C(=O)Nc2nc3cc(ccc3o2)-c2ccccc2)c2c(N)ncnc12
Show InChI InChI=1S/C32H34N8O3/c1-20(2)38(3)14-7-10-27(41)39-15-13-23(17-39)40-18-24(28-29(33)34-19-35-30(28)40)31(42)37-32-36-25-16-22(11-12-26(25)43-32)21-8-5-4-6-9-21/h4-12,16,18-20,23H,13-15,17H2,1-3H3,(H2,33,34,35)(H,36,37,42)/b10-7+/t23-/m1/s1
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291318
PNG
(US9580432, Example 49)
Show SMILES CN(C)C\C=C\C(=O)N1CC[C@H](C1)n1cc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C24H25ClN8O3/c1-31(2)8-3-4-19(34)32-9-7-15(11-32)33-12-16(20-21(26)27-13-28-22(20)33)23(35)30-24-29-17-10-14(25)5-6-18(17)36-24/h3-6,10,12-13,15H,7-9,11H2,1-2H3,(H2,26,27,28)(H,29,30,35)/b4-3+/t15-/m1/s1
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291292
PNG
(US9580432, Example 23)
Show SMILES Cc1cc2nc(NC(=O)c3nn([C@@H]4CCCN(C4)C(=O)C=C)c4ncnc(N)c34)oc2cc1C
Show InChI InChI=1S/C23H24N8O3/c1-4-17(32)30-7-5-6-14(10-30)31-21-18(20(24)25-11-26-21)19(29-31)22(33)28-23-27-15-8-12(2)13(3)9-16(15)34-23/h4,8-9,11,14H,1,5-7,10H2,2-3H3,(H2,24,25,26)(H,27,28,33)/t14-/m1/s1
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291300
PNG
(US9580432, Example 31)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4cc(ccc4o3)-c3ccc(Cl)cc3)c12)[C@@H]1CCN(C1)C(=O)C=C
Show InChI InChI=1S/C26H21ClN8O3/c1-2-20(36)34-10-9-17(12-34)35-24-21(23(28)29-13-30-24)22(33-35)25(37)32-26-31-18-11-15(5-8-19(18)38-26)14-3-6-16(27)7-4-14/h2-8,11,13,17H,1,9-10,12H2,(H2,28,29,30)(H,31,32,37)/t17-/m1/s1
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291322
PNG
(US9580432, Example 53)
Show SMILES Nc1ncnc2n(cc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12)[C@@H]1CCN(C1)C(=O)\C=C\CN1CCCC1
Show InChI InChI=1S/C26H27ClN8O3/c27-16-5-6-20-19(12-16)31-26(38-20)32-25(37)18-14-35(24-22(18)23(28)29-15-30-24)17-7-11-34(13-17)21(36)4-3-10-33-8-1-2-9-33/h3-6,12,14-15,17H,1-2,7-11,13H2,(H2,28,29,30)(H,31,32,37)/b4-3+/t17-/m1/s1
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291327
PNG
(US9580432, Example 58)
Show SMILES CCN(CC)C\C=C\C(=O)N1CC[C@H](C1)n1cc(C(=O)Nc2nc3cc(ccc3o2)-c2ccccc2)c2c(N)ncnc12
Show InChI InChI=1S/C32H34N8O3/c1-3-38(4-2)15-8-11-27(41)39-16-14-23(18-39)40-19-24(28-29(33)34-20-35-30(28)40)31(42)37-32-36-25-17-22(12-13-26(25)43-32)21-9-6-5-7-10-21/h5-13,17,19-20,23H,3-4,14-16,18H2,1-2H3,(H2,33,34,35)(H,36,37,42)/b11-8+/t23-/m1/s1
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291329
PNG
(US9580432, Example 60)
Show SMILES Nc1ncnc2n(cc(C(=O)Nc3nc4cc(ccc4o3)-c3ccccc3)c12)[C@@H]1CCN(C1)C(=O)\C=C\CN1CCCC1
Show InChI InChI=1S/C32H32N8O3/c33-29-28-24(31(42)37-32-36-25-17-22(10-11-26(25)43-32)21-7-2-1-3-8-21)19-40(30(28)35-20-34-29)23-12-16-39(18-23)27(41)9-6-15-38-13-4-5-14-38/h1-3,6-11,17,19-20,23H,4-5,12-16,18H2,(H2,33,34,35)(H,36,37,42)/b9-6+/t23-/m1/s1
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291309
PNG
(US9580432, Example 40)
Show SMILES COCCc1ccc2oc(NC(=O)c3nn([C@@H]4CCN(C4)C(=O)C=C)c4ncnc(N)c34)nc2c1
Show InChI InChI=1S/C23H24N8O4/c1-3-17(32)30-8-6-14(11-30)31-21-18(20(24)25-12-26-21)19(29-31)22(33)28-23-27-15-10-13(7-9-34-2)4-5-16(15)35-23/h3-5,10,12,14H,1,6-9,11H2,2H3,(H2,24,25,26)(H,27,28,33)/t14-/m1/s1
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291280
PNG
(US9580432, Example 11)
Show SMILES CC(=C)C(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3cc(F)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C22H21FN8O3/c1-11(2)21(33)30-7-3-4-13(9-30)31-19-16(18(24)25-10-26-19)17(29-31)20(32)28-22-27-14-8-12(23)5-6-15(14)34-22/h5-6,8,10,13H,1,3-4,7,9H2,2H3,(H2,24,25,26)(H,27,28,32)/t13-/m1/s1
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n/an/a 2.14n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291330
PNG
(US9580432, Example 61)
Show SMILES Nc1ncnc2n(cc(C(=O)Nc3nc4cc(ccc4o3)-c3ccccc3)c12)[C@@H]1CCN(C1)C(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C33H34N8O3/c34-30-29-25(32(43)38-33-37-26-18-23(11-12-27(26)44-33)22-8-3-1-4-9-22)20-41(31(29)36-21-35-30)24-13-17-40(19-24)28(42)10-7-16-39-14-5-2-6-15-39/h1,3-4,7-12,18,20-21,24H,2,5-6,13-17,19H2,(H2,34,35,36)(H,37,38,43)/b10-7+/t24-/m1/s1
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n/an/a 2.34n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291279
PNG
(US9580432, Example 10)
Show SMILES Cc1cccc2oc(NC(=O)c3nn([C@@H]4CCCN(C4)C(=O)C=C)c4ncnc(N)c34)nc12
Show InChI InChI=1S/C22H22N8O3/c1-3-15(31)29-9-5-7-13(10-29)30-20-16(19(23)24-11-25-20)18(28-30)21(32)27-22-26-17-12(2)6-4-8-14(17)33-22/h3-4,6,8,11,13H,1,5,7,9-10H2,2H3,(H2,23,24,25)(H,26,27,32)/t13-/m1/s1
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291295
PNG
(US9580432, Example 26)
Show SMILES CC(C)=CC(=O)N1CC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C22H21ClN8O3/c1-11(2)7-16(32)30-6-5-13(9-30)31-20-17(19(24)25-10-26-20)18(29-31)21(33)28-22-27-14-8-12(23)3-4-15(14)34-22/h3-4,7-8,10,13H,5-6,9H2,1-2H3,(H2,24,25,26)(H,27,28,33)/t13-/m1/s1
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291339
PNG
(US9580432, Example 70)
Show SMILES Nc1ncnc2n(CC3CN(C3)C(=O)C=C)nc(C(=O)Nc3nc4ccccc4o3)c12
Show InChI InChI=1S/C20H18N8O3/c1-2-14(29)27-7-11(8-27)9-28-18-15(17(21)22-10-23-18)16(26-28)19(30)25-20-24-12-5-3-4-6-13(12)31-20/h2-6,10-11H,1,7-9H2,(H2,21,22,23)(H,24,25,30)
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291315
PNG
(US9580432, Example 46)
Show SMILES Nc1ncnc2n(cc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12)C1CN(C1)C(=O)C=C
Show InChI InChI=1S/C20H16ClN7O3/c1-2-15(29)27-6-11(7-27)28-8-12(16-17(22)23-9-24-18(16)28)19(30)26-20-25-13-5-10(21)3-4-14(13)31-20/h2-5,8-9,11H,1,6-7H2,(H2,22,23,24)(H,25,26,30)
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291340
PNG
(US9580432, Example 71)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4ccccc4o3)c12)[C@@H]1CC[C@@H](CC1)NC(=O)C=C
Show InChI InChI=1S/C22H22N8O3/c1-2-16(31)26-12-7-9-13(10-8-12)30-20-17(19(23)24-11-25-20)18(29-30)21(32)28-22-27-14-5-3-4-6-15(14)33-22/h2-6,11-13H,1,7-10H2,(H,26,31)(H2,23,24,25)(H,27,28,32)/t12-,13+
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n/an/a 5.89n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291316
PNG
(US9580432, Example 47)
Show SMILES CN(C)C\C=C\C(=O)N1CC(C1)N1CC(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c1ncnc2N
Show InChI InChI=1S/C23H25ClN8O3/c1-30(2)7-3-4-18(33)31-9-14(10-31)32-11-15(19-20(25)26-12-27-21(19)32)22(34)29-23-28-16-8-13(24)5-6-17(16)35-23/h3-6,8,12,14-15H,7,9-11H2,1-2H3,(H2,25,26,27)(H,28,29,34)/b4-3+
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291333
PNG
(US9580432, Example 64)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4cccc(Cl)c4o3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C21H19ClN8O3/c1-2-14(31)29-8-4-5-11(9-29)30-19-15(18(23)24-10-25-19)16(28-30)20(32)27-21-26-13-7-3-6-12(22)17(13)33-21/h2-3,6-7,10-11H,1,4-5,8-9H2,(H2,23,24,25)(H,26,27,32)/t11-/m1/s1
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291309
PNG
(US9580432, Example 40)
Show SMILES COCCc1ccc2oc(NC(=O)c3nn([C@@H]4CCN(C4)C(=O)C=C)c4ncnc(N)c34)nc2c1
Show InChI InChI=1S/C23H24N8O4/c1-3-17(32)30-8-6-14(11-30)31-21-18(20(24)25-12-26-21)19(29-31)22(33)28-23-27-15-10-13(7-9-34-2)4-5-16(15)35-23/h3-5,10,12,14H,1,6-9,11H2,2H3,(H2,24,25,26)(H,27,28,33)/t14-/m1/s1
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n/an/a 10n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291351
PNG
(US9580432, Example 82)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4ccccc4o3)c12)C1CCN(C1)C(=O)C=C
Show InChI InChI=1S/C20H18N8O3/c1-2-14(29)27-8-7-11(9-27)28-18-15(17(21)22-10-23-18)16(26-28)19(30)25-20-24-12-5-3-4-6-13(12)31-20/h2-6,10-11H,1,7-9H2,(H2,21,22,23)(H,24,25,30)
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n/an/a 10.9n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291353
PNG
(US9580432, Example 85)
Show SMILES Nc1ncnc2n(CCCNC(=O)C=C)nc(C(=O)Nc3nc4ccccc4o3)c12
Show InChI InChI=1S/C19H18N8O3/c1-2-13(28)21-8-5-9-27-17-14(16(20)22-10-23-17)15(26-27)18(29)25-19-24-11-6-3-4-7-12(11)30-19/h2-4,6-7,10H,1,5,8-9H2,(H,21,28)(H2,20,22,23)(H,24,25,29)
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291342
PNG
(US9580432, Example 73)
Show SMILES CN(C)C\C=C\C(=O)N1CC[C@@H](C1)n1nc(C(=O)Nc2nc3ccccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C23H25N9O3/c1-30(2)10-5-8-17(33)31-11-9-14(12-31)32-21-18(20(24)25-13-26-21)19(29-32)22(34)28-23-27-15-6-3-4-7-16(15)35-23/h3-8,13-14H,9-12H2,1-2H3,(H2,24,25,26)(H,27,28,34)/b8-5+/t14-/m0/s1
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n/an/a 11.2n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291345
PNG
(US9580432, Example 76)
Show SMILES Nc1ncnc2n(CC3CN(C3)C(=O)C=C)nc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12
Show InChI InChI=1S/C20H17ClN8O3/c1-2-14(30)28-6-10(7-28)8-29-18-15(17(22)23-9-24-18)16(27-29)19(31)26-20-25-12-5-11(21)3-4-13(12)32-20/h2-5,9-10H,1,6-8H2,(H2,22,23,24)(H,25,26,31)
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291337
PNG
(US9580432, Example 68)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)nc(C(=O)Nc3nc4ccccc4o3)c12
Show InChI InChI=1S/C22H22N8O3/c1-2-16(31)29-9-7-13(8-10-29)11-30-20-17(19(23)24-12-25-20)18(28-30)21(32)27-22-26-14-5-3-4-6-15(14)33-22/h2-6,12-13H,1,7-11H2,(H2,23,24,25)(H,26,27,32)
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n/an/a 11.4n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291339
PNG
(US9580432, Example 70)
Show SMILES Nc1ncnc2n(CC3CN(C3)C(=O)C=C)nc(C(=O)Nc3nc4ccccc4o3)c12
Show InChI InChI=1S/C20H18N8O3/c1-2-14(29)27-7-11(8-27)9-28-18-15(17(21)22-10-23-18)16(26-28)19(30)25-20-24-12-5-3-4-6-13(12)31-20/h2-6,10-11H,1,7-9H2,(H2,21,22,23)(H,24,25,30)
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n/an/a 12.2n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291341
PNG
(US9580432, Example 72)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4ccccc4o3)c12)[C@H]1CC[C@@H](CC1)NC(=O)C=C
Show InChI InChI=1S/C22H22N8O3/c1-2-16(31)26-12-7-9-13(10-8-12)30-20-17(19(23)24-11-25-20)18(29-30)21(32)28-22-27-14-5-3-4-6-15(14)33-22/h2-6,11-13H,1,7-10H2,(H,26,31)(H2,23,24,25)(H,27,28,32)/t12-,13-
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n/an/a 12.4n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291337
PNG
(US9580432, Example 68)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)nc(C(=O)Nc3nc4ccccc4o3)c12
Show InChI InChI=1S/C22H22N8O3/c1-2-16(31)29-9-7-13(8-10-29)11-30-20-17(19(23)24-12-25-20)18(28-30)21(32)27-22-26-14-5-3-4-6-15(14)33-22/h2-6,12-13H,1,7-11H2,(H2,23,24,25)(H,26,27,32)
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n/an/a 13.2n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291336
PNG
(US9580432, Example 67)
Show SMILES Nc1ncnc2n(CC3CCCN(C3)C(=O)C=C)nc(C(=O)Nc3nc4ccccc4o3)c12
Show InChI InChI=1S/C22H22N8O3/c1-2-16(31)29-9-5-6-13(10-29)11-30-20-17(19(23)24-12-25-20)18(28-30)21(32)27-22-26-14-7-3-4-8-15(14)33-22/h2-4,7-8,12-13H,1,5-6,9-11H2,(H2,23,24,25)(H,26,27,32)
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291283
PNG
(US9580432, Example 14)
Show SMILES C\C=C\C(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3ccccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C22H22N8O3/c1-2-6-16(31)29-10-5-7-13(11-29)30-20-17(19(23)24-12-25-20)18(28-30)21(32)27-22-26-14-8-3-4-9-15(14)33-22/h2-4,6,8-9,12-13H,5,7,10-11H2,1H3,(H2,23,24,25)(H,26,27,32)/b6-2+/t13-/m1/s1
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n/an/a 14.1n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291291
PNG
(US9580432, Example 22)
Show SMILES CC#CC(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3ccccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C22H20N8O3/c1-2-6-16(31)29-10-5-7-13(11-29)30-20-17(19(23)24-12-25-20)18(28-30)21(32)27-22-26-14-8-3-4-9-15(14)33-22/h3-4,8-9,12-13H,5,7,10-11H2,1H3,(H2,23,24,25)(H,26,27,32)/t13-/m1/s1
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n/an/a 14.2n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291328
PNG
(US9580432, Example 59)
Show SMILES CC(C)N(C)C\C=C\C(=O)N1CC[C@H](C1)n1cc(C(=O)Nc2nc3cc(ccc3o2)-c2ccccc2)c2c(N)ncnc12
Show InChI InChI=1S/C32H34N8O3/c1-20(2)38(3)14-7-10-27(41)39-15-13-23(17-39)40-18-24(28-29(33)34-19-35-30(28)40)31(42)37-32-36-25-16-22(11-12-26(25)43-32)21-8-5-4-6-9-21/h4-12,16,18-20,23H,13-15,17H2,1-3H3,(H2,33,34,35)(H,36,37,42)/b10-7+/t23-/m1/s1
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n/an/a 16.3n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291335
PNG
(US9580432, Example 66)
Show SMILES Nc1ncnc2n(CC3CCN(C3)C(=O)C=C)nc(C(=O)Nc3nc4ccccc4o3)c12
Show InChI InChI=1S/C21H20N8O3/c1-2-15(30)28-8-7-12(9-28)10-29-19-16(18(22)23-11-24-19)17(27-29)20(31)26-21-25-13-5-3-4-6-14(13)32-21/h2-6,11-12H,1,7-10H2,(H2,22,23,24)(H,25,26,31)
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291313
PNG
(US9580432, Example 44)
Show SMILES CN(C)C\C=C\C(=O)N1CC[C@H](C1)n1nc(C(=O)Nc2nc3cc(ccc3o2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C24H24F3N9O3/c1-34(2)8-3-4-17(37)35-9-7-14(11-35)36-21-18(20(28)29-12-30-21)19(33-36)22(38)32-23-31-15-10-13(24(25,26)27)5-6-16(15)39-23/h3-6,10,12,14H,7-9,11H2,1-2H3,(H2,28,29,30)(H,31,32,38)/b4-3+/t14-/m1/s1
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n/an/a 17.1n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291325
PNG
(US9580432, Example 56)
Show SMILES CN(C)C\C=C\C(=O)N1CC[C@H](C1)n1cc(C(=O)Nc2nc3cc(ccc3o2)-c2ccccc2)c2c(N)ncnc12
Show InChI InChI=1S/C30H30N8O3/c1-36(2)13-6-9-25(39)37-14-12-21(16-37)38-17-22(26-27(31)32-18-33-28(26)38)29(40)35-30-34-23-15-20(10-11-24(23)41-30)19-7-4-3-5-8-19/h3-11,15,17-18,21H,12-14,16H2,1-2H3,(H2,31,32,33)(H,34,35,40)/b9-6+/t21-/m1/s1
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n/an/a 17.6n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291336
PNG
(US9580432, Example 67)
Show SMILES Nc1ncnc2n(CC3CCCN(C3)C(=O)C=C)nc(C(=O)Nc3nc4ccccc4o3)c12
Show InChI InChI=1S/C22H22N8O3/c1-2-16(31)29-9-5-6-13(10-29)11-30-20-17(19(23)24-12-25-20)18(28-30)21(32)27-22-26-14-7-3-4-8-15(14)33-22/h2-4,7-8,12-13H,1,5-6,9-11H2,(H2,23,24,25)(H,26,27,32)
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n/an/a 18n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291326
PNG
(US9580432, Example 57)
Show SMILES CCN(C)C\C=C\C(=O)N1CC[C@H](C1)n1cc(C(=O)Nc2nc3cc(ccc3o2)-c2ccccc2)c2c(N)ncnc12
Show InChI InChI=1S/C31H32N8O3/c1-3-37(2)14-7-10-26(40)38-15-13-22(17-38)39-18-23(27-28(32)33-19-34-29(27)39)30(41)36-31-35-24-16-21(11-12-25(24)42-31)20-8-5-4-6-9-20/h4-12,16,18-19,22H,3,13-15,17H2,1-2H3,(H2,32,33,34)(H,35,36,41)/b10-7+/t22-/m1/s1
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n/an/a 19.3n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291311
PNG
(US9580432, Example 42)
Show SMILES CN(C)C\C=C\C(=O)N1CC[C@H](C1)n1nc(C(=O)Nc2nc3cc(ccc3o2)-c2ccccc2)c2c(N)ncnc12
Show InChI InChI=1S/C29H29N9O3/c1-36(2)13-6-9-23(39)37-14-12-20(16-37)38-27-24(26(30)31-17-32-27)25(35-38)28(40)34-29-33-21-15-19(10-11-22(21)41-29)18-7-4-3-5-8-18/h3-11,15,17,20H,12-14,16H2,1-2H3,(H2,30,31,32)(H,33,34,40)/b9-6+/t20-/m1/s1
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n/an/a 19.4n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291316
PNG
(US9580432, Example 47)
Show SMILES CN(C)C\C=C\C(=O)N1CC(C1)N1CC(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c1ncnc2N
Show InChI InChI=1S/C23H25ClN8O3/c1-30(2)7-3-4-18(33)31-9-14(10-31)32-11-15(19-20(25)26-12-27-21(19)32)22(34)29-23-28-16-8-13(24)5-6-17(16)35-23/h3-6,8,12,14-15H,7,9-11H2,1-2H3,(H2,25,26,27)(H,28,29,34)/b4-3+
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n/an/a 20.4n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291348
PNG
(US9580432, Example 79)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4cc(F)ccc4o3)c12)C1CN(C1)C(=O)C=C
Show InChI InChI=1S/C19H15FN8O3/c1-2-13(29)27-6-10(7-27)28-17-14(16(21)22-8-23-17)15(26-28)18(30)25-19-24-11-5-9(20)3-4-12(11)31-19/h2-5,8,10H,1,6-7H2,(H2,21,22,23)(H,24,25,30)
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n/an/a 20.6n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291321
PNG
(US9580432, Example 52)
Show SMILES CC(C)N(C)C\C=C\C(=O)N1CC[C@H](C1)n1cc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C26H29ClN8O3/c1-15(2)33(3)9-4-5-21(36)34-10-8-17(12-34)35-13-18(22-23(28)29-14-30-24(22)35)25(37)32-26-31-19-11-16(27)6-7-20(19)38-26/h4-7,11,13-15,17H,8-10,12H2,1-3H3,(H2,28,29,30)(H,31,32,37)/b5-4+/t17-/m1/s1
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n/an/a 20.6n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291299
PNG
(US9580432, Example 30)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4cc(F)ccc4o3)c12)[C@@H]1CCN(C1)C(=O)C=C
Show InChI InChI=1S/C20H17FN8O3/c1-2-14(30)28-6-5-11(8-28)29-18-15(17(22)23-9-24-18)16(27-29)19(31)26-20-25-12-7-10(21)3-4-13(12)32-20/h2-4,7,9,11H,1,5-6,8H2,(H2,22,23,24)(H,25,26,31)/t11-/m1/s1
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n/an/a 21.3n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291343
PNG
(US9580432, Example 74)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4ccccc4o3)c12)C1CN(C1)C(=O)C=C
Show InChI InChI=1S/C19H16N8O3/c1-2-13(28)26-7-10(8-26)27-17-14(16(20)21-9-22-17)15(25-27)18(29)24-19-23-11-5-3-4-6-12(11)30-19/h2-6,9-10H,1,7-8H2,(H2,20,21,22)(H,23,24,29)
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TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291319
PNG
(US9580432, Example 50)
Show SMILES CCN(C)C\C=C\C(=O)N1CC[C@H](C1)n1cc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C25H27ClN8O3/c1-3-32(2)9-4-5-20(35)33-10-8-16(12-33)34-13-17(21-22(27)28-14-29-23(21)34)24(36)31-25-30-18-11-15(26)6-7-19(18)37-25/h4-7,11,13-14,16H,3,8-10,12H2,1-2H3,(H2,27,28,29)(H,30,31,36)/b5-4+/t16-/m1/s1
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n/an/a 22.1n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291277
PNG
(US9580432, Example 8)
Show SMILES COCCc1ccc2oc(NC(=O)c3nn([C@@H]4CCCN(C4)C(=O)C=C)c4ncnc(N)c34)nc2c1
Show InChI InChI=1S/C24H26N8O4/c1-3-18(33)31-9-4-5-15(12-31)32-22-19(21(25)26-13-27-22)20(30-32)23(34)29-24-28-16-11-14(8-10-35-2)6-7-17(16)36-24/h3,6-7,11,13,15H,1,4-5,8-10,12H2,2H3,(H2,25,26,27)(H,28,29,34)/t15-/m1/s1
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n/an/a 22.9n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291327
PNG
(US9580432, Example 58)
Show SMILES CCN(CC)C\C=C\C(=O)N1CC[C@H](C1)n1cc(C(=O)Nc2nc3cc(ccc3o2)-c2ccccc2)c2c(N)ncnc12
Show InChI InChI=1S/C32H34N8O3/c1-3-38(4-2)15-8-11-27(41)39-16-14-23(18-39)40-19-24(28-29(33)34-20-35-30(28)40)31(42)37-32-36-25-17-22(12-13-26(25)43-32)21-9-6-5-7-10-21/h5-13,17,19-20,23H,3-4,14-16,18H2,1-2H3,(H2,33,34,35)(H,36,37,42)/b11-8+/t23-/m1/s1
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n/an/a 23.5n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291318
PNG
(US9580432, Example 49)
Show SMILES CN(C)C\C=C\C(=O)N1CC[C@H](C1)n1cc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C24H25ClN8O3/c1-31(2)8-3-4-19(34)32-9-7-15(11-32)33-12-16(20-21(26)27-13-28-22(20)33)23(35)30-24-29-17-10-14(25)5-6-18(17)36-24/h3-6,10,12-13,15H,7-9,11H2,1-2H3,(H2,26,27,28)(H,29,30,35)/b4-3+/t15-/m1/s1
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n/an/a 24.8n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291322
PNG
(US9580432, Example 53)
Show SMILES Nc1ncnc2n(cc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12)[C@@H]1CCN(C1)C(=O)\C=C\CN1CCCC1
Show InChI InChI=1S/C26H27ClN8O3/c27-16-5-6-20-19(12-16)31-26(38-20)32-25(37)18-14-35(24-22(18)23(28)29-15-30-24)17-7-11-34(13-17)21(36)4-3-10-33-8-1-2-9-33/h3-6,12,14-15,17H,1-2,7-11,13H2,(H2,28,29,30)(H,31,32,37)/b4-3+/t17-/m1/s1
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n/an/a 25.5n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291341
PNG
(US9580432, Example 72)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4ccccc4o3)c12)[C@H]1CC[C@@H](CC1)NC(=O)C=C
Show InChI InChI=1S/C22H22N8O3/c1-2-16(31)26-12-7-9-13(10-8-12)30-20-17(19(23)24-11-25-20)18(29-30)21(32)28-22-27-14-5-3-4-6-15(14)33-22/h2-6,11-13H,1,7-10H2,(H,26,31)(H2,23,24,25)(H,27,28,32)/t12-,13-
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n/an/a 28.1n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291278
PNG
(US9580432, Example 9)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4ncccc4o3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C20H19N9O3/c1-2-13(30)28-8-4-5-11(9-28)29-18-14(16(21)23-10-24-18)15(27-29)19(31)26-20-25-17-12(32-20)6-3-7-22-17/h2-3,6-7,10-11H,1,4-5,8-9H2,(H2,21,23,24)(H,22,25,26,31)/t11-/m1/s1
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n/an/a 28.4n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291282
PNG
(US9580432, Example 13)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4ccccc4o3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C21H20N8O3/c1-2-15(30)28-9-5-6-12(10-28)29-19-16(18(22)23-11-24-19)17(27-29)20(31)26-21-25-13-7-3-4-8-14(13)32-21/h2-4,7-8,11-12H,1,5-6,9-10H2,(H2,22,23,24)(H,25,26,31)/t12-/m1/s1
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n/an/a 28.8n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291320
PNG
(US9580432, Example 51)
Show SMILES CCN(CC)C\C=C\C(=O)N1CC[C@H](C1)n1cc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C26H29ClN8O3/c1-3-33(4-2)10-5-6-21(36)34-11-9-17(13-34)35-14-18(22-23(28)29-15-30-24(22)35)25(37)32-26-31-19-12-16(27)7-8-20(19)38-26/h5-8,12,14-15,17H,3-4,9-11,13H2,1-2H3,(H2,28,29,30)(H,31,32,37)/b6-5+/t17-/m1/s1
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n/an/a 31.1n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291331
PNG
(US9580432, Example P-l)
Show SMILES CC1C=C(C)C2=Cc3ccc(CCC(=O)NCCN4CCN(C\C=C\C(=O)N5CCC[C@H](C5)n5nc(C(=O)Nc6nc7ccccc7o6)c6c(N)ncnc56)CC4)n3C(F)(F)N12
Show InChI InChI=1S/C43H49F2N13O4/c1-27-23-28(2)56-33(27)24-30-12-11-29(57(30)43(56,44)45)13-14-35(59)47-15-18-54-21-19-53(20-22-54)16-6-10-36(60)55-17-5-7-31(25-55)58-40-37(39(46)48-26-49-40)38(52-58)41(61)51-42-50-32-8-3-4-9-34(32)62-42/h3-4,6,8-12,23-24,26,28,31H,5,7,13-22,25H2,1-2H3,(H,47,59)(H2,46,48,49)(H,50,51,61)/b10-6+/t28?,31-/m1/s1
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n/an/a 31.4n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291329
PNG
(US9580432, Example 60)
Show SMILES Nc1ncnc2n(cc(C(=O)Nc3nc4cc(ccc4o3)-c3ccccc3)c12)[C@@H]1CCN(C1)C(=O)\C=C\CN1CCCC1
Show InChI InChI=1S/C32H32N8O3/c33-29-28-24(31(42)37-32-36-25-17-22(10-11-26(25)43-32)21-7-2-1-3-8-21)19-40(30(28)35-20-34-29)23-12-16-39(18-23)27(41)9-6-15-38-13-4-5-14-38/h1-3,6-11,17,19-20,23H,4-5,12-16,18H2,(H2,33,34,35)(H,36,37,42)/b9-6+/t23-/m1/s1
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n/an/a 32.4n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291275
PNG
(US9580432, Example 6)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4ccc(cc4o3)C#N)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C22H19N9O3/c1-2-16(32)30-7-3-4-13(10-30)31-20-17(19(24)25-11-26-20)18(29-31)21(33)28-22-27-14-6-5-12(9-23)8-15(14)34-22/h2,5-6,8,11,13H,1,3-4,7,10H2,(H2,24,25,26)(H,27,28,33)/t13-/m1/s1
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n/an/a 33.3n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291304
PNG
(US9580432, Example 35)
Show SMILES CC(C)N(C)C\C=C\C(=O)N1CC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C25H28ClN9O3/c1-14(2)33(3)9-4-5-19(36)34-10-8-16(12-34)35-23-20(22(27)28-13-29-23)21(32-35)24(37)31-25-30-17-11-15(26)6-7-18(17)38-25/h4-7,11,13-14,16H,8-10,12H2,1-3H3,(H2,27,28,29)(H,30,31,37)/b5-4+/t16-/m1/s1
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n/an/a 35.1n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291323
PNG
(US9580432, Example 54)
Show SMILES Nc1ncnc2n(cc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12)[C@@H]1CCN(C1)C(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C27H29ClN8O3/c28-17-6-7-21-20(13-17)32-27(39-21)33-26(38)19-15-36(25-23(19)24(29)30-16-31-25)18-8-12-35(14-18)22(37)5-4-11-34-9-2-1-3-10-34/h4-7,13,15-16,18H,1-3,8-12,14H2,(H2,29,30,31)(H,32,33,38)/b5-4+/t18-/m1/s1
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n/an/a 37.1n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291308
PNG
(US9580432, Example 39)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4cc(ccc4o3)C#N)c12)[C@@H]1CCN(C1)C(=O)C=C
Show InChI InChI=1S/C21H17N9O3/c1-2-15(31)29-6-5-12(9-29)30-19-16(18(23)24-10-25-19)17(28-30)20(32)27-21-26-13-7-11(8-22)3-4-14(13)33-21/h2-4,7,10,12H,1,5-6,9H2,(H2,23,24,25)(H,26,27,32)/t12-/m1/s1
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n/an/a 37.5n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291352
PNG
(US9580432, Example 83)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4cc(F)ccc4o3)c12)C1CCN(C1)C(=O)C=C
Show InChI InChI=1S/C20H17FN8O3/c1-2-14(30)28-6-5-11(8-28)29-18-15(17(22)23-9-24-18)16(27-29)19(31)26-20-25-12-7-10(21)3-4-13(12)32-20/h2-4,7,9,11H,1,5-6,8H2,(H2,22,23,24)(H,25,26,31)
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n/an/a 39.6n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291340
PNG
(US9580432, Example 71)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4ccccc4o3)c12)[C@@H]1CC[C@@H](CC1)NC(=O)C=C
Show InChI InChI=1S/C22H22N8O3/c1-2-16(31)26-12-7-9-13(10-8-12)30-20-17(19(23)24-11-25-20)18(29-30)21(32)28-22-27-14-5-3-4-6-15(14)33-22/h2-6,11-13H,1,7-10H2,(H,26,31)(H2,23,24,25)(H,27,28,32)/t12-,13+
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n/an/a 42n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291301
PNG
(US9580432, Example 32)
Show SMILES CN(C)C\C=C\C(=O)N1CC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C23H24ClN9O3/c1-31(2)8-3-4-17(34)32-9-7-14(11-32)33-21-18(20(25)26-12-27-21)19(30-33)22(35)29-23-28-15-10-13(24)5-6-16(15)36-23/h3-6,10,12,14H,7-9,11H2,1-2H3,(H2,25,26,27)(H,28,29,35)/b4-3+/t14-/m1/s1
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n/an/a 43.1n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291302
PNG
(US9580432, Example 33)
Show SMILES CCN(C)C\C=C\C(=O)N1CC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C24H26ClN9O3/c1-3-32(2)9-4-5-18(35)33-10-8-15(12-33)34-22-19(21(26)27-13-28-22)20(31-34)23(36)30-24-29-16-11-14(25)6-7-17(16)37-24/h4-7,11,13,15H,3,8-10,12H2,1-2H3,(H2,26,27,28)(H,29,30,36)/b5-4+/t15-/m1/s1
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n/an/a 43.4n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291332
PNG
(US9580432, Example P-2)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4ccccc4o3)c12)[C@@H]1CCCN(C1)C(=O)\C=C\CN1CCN(CCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)CC1
Show InChI InChI=1S/C38H49N13O5S/c39-34-31-33(36(54)46-38-44-25-8-1-2-9-27(25)56-38)47-51(35(31)42-23-41-34)24-7-5-15-50(21-24)30(53)12-6-14-48-17-19-49(20-18-48)16-13-40-29(52)11-4-3-10-28-32-26(22-57-28)43-37(55)45-32/h1-2,6,8-9,12,23-24,26,28,32H,3-5,7,10-11,13-22H2,(H,40,52)(H2,39,41,42)(H2,43,45,55)(H,44,46,54)/b12-6+/t24-,26+,28+,32+/m1/s1
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n/an/a 43.9n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291344
PNG
(US9580432, Example 75)
Show SMILES Nc1ncnc2n(CC3CN(C3)C(=O)C=C)nc(C(=O)Nc3nc4cc(F)ccc4o3)c12
Show InChI InChI=1S/C20H17FN8O3/c1-2-14(30)28-6-10(7-28)8-29-18-15(17(22)23-9-24-18)16(27-29)19(31)26-20-25-12-5-11(21)3-4-13(12)32-20/h2-5,9-10H,1,6-8H2,(H2,22,23,24)(H,25,26,31)
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n/an/a 58.2n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291305
PNG
(US9580432, Example 36)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12)[C@@H]1CCN(C1)C(=O)\C=C\CN1CCCC1
Show InChI InChI=1S/C25H26ClN9O3/c26-15-5-6-18-17(12-15)30-25(38-18)31-24(37)21-20-22(27)28-14-29-23(20)35(32-21)16-7-11-34(13-16)19(36)4-3-10-33-8-1-2-9-33/h3-6,12,14,16H,1-2,7-11,13H2,(H2,27,28,29)(H,30,31,37)/b4-3+/t16-/m1/s1
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n/an/a 59.8n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291330
PNG
(US9580432, Example 61)
Show SMILES Nc1ncnc2n(cc(C(=O)Nc3nc4cc(ccc4o3)-c3ccccc3)c12)[C@@H]1CCN(C1)C(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C33H34N8O3/c34-30-29-25(32(43)38-33-37-26-18-23(11-12-27(26)44-33)22-8-3-1-4-9-22)20-41(31(29)36-21-35-30)24-13-17-40(19-24)28(42)10-7-16-39-14-5-2-6-15-39/h1,3-4,7-12,18,20-21,24H,2,5-6,13-17,19H2,(H2,34,35,36)(H,37,38,43)/b10-7+/t24-/m1/s1
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n/an/a 67.5n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291306
PNG
(US9580432, Example 37)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12)[C@@H]1CCN(C1)C(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C26H28ClN9O3/c27-16-6-7-19-18(13-16)31-26(39-19)32-25(38)22-21-23(28)29-15-30-24(21)36(33-22)17-8-12-35(14-17)20(37)5-4-11-34-9-2-1-3-10-34/h4-7,13,15,17H,1-3,8-12,14H2,(H2,28,29,30)(H,31,32,38)/b5-4+/t17-/m1/s1
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n/an/a 70.5n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291349
PNG
(US9580432, Example 80)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)nc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12
Show InChI InChI=1S/C22H21ClN8O3/c1-2-16(32)30-7-5-12(6-8-30)10-31-20-17(19(24)25-11-26-20)18(29-31)21(33)28-22-27-14-9-13(23)3-4-15(14)34-22/h2-4,9,11-12H,1,5-8,10H2,(H2,24,25,26)(H,27,28,33)
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n/an/a 75.4n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291334
PNG
(US9580432, Example 65)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4ccccc4o3)c12)[C@H]1CCN(C1)C(=O)C=C
Show InChI InChI=1S/C20H18N8O3/c1-2-14(29)27-8-7-11(9-27)28-18-15(17(21)22-10-23-18)16(26-28)19(30)25-20-24-12-5-3-4-6-13(12)31-20/h2-6,10-11H,1,7-9H2,(H2,21,22,23)(H,24,25,30)/t11-/m0/s1
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n/an/a 79n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291303
PNG
(US9580432, Example 34)
Show SMILES CCN(CC)C\C=C\C(=O)N1CC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C25H28ClN9O3/c1-3-33(4-2)10-5-6-19(36)34-11-9-16(13-34)35-23-20(22(27)28-14-29-23)21(32-35)24(37)31-25-30-17-12-15(26)7-8-18(17)38-25/h5-8,12,14,16H,3-4,9-11,13H2,1-2H3,(H2,27,28,29)(H,30,31,37)/b6-5+/t16-/m1/s1
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n/an/a 79.3n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291281
PNG
(US9580432, Example 12)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4cc(F)ccc4o3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C21H19FN8O3/c1-2-15(31)29-7-3-4-12(9-29)30-19-16(18(23)24-10-25-19)17(28-30)20(32)27-21-26-13-8-11(22)5-6-14(13)33-21/h2,5-6,8,10,12H,1,3-4,7,9H2,(H2,23,24,25)(H,26,27,32)/t12-/m1/s1
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n/an/a 84.2n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291347
PNG
(US9580432, Example 78)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12)[C@@H]1CC[C@@H](CC1)NC(=O)C=C
Show InChI InChI=1S/C22H21ClN8O3/c1-2-16(32)27-12-4-6-13(7-5-12)31-20-17(19(24)25-10-26-20)18(30-31)21(33)29-22-28-14-9-11(23)3-8-15(14)34-22/h2-3,8-10,12-13H,1,4-7H2,(H,27,32)(H2,24,25,26)(H,28,29,33)/t12-,13+
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n/an/a 101n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291287
PNG
(US9580432, Example 18)
Show SMILES CC(C)N(C)C\C=C\C(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C26H30ClN9O3/c1-15(2)34(3)10-5-7-20(37)35-11-4-6-17(13-35)36-24-21(23(28)29-14-30-24)22(33-36)25(38)32-26-31-18-12-16(27)8-9-19(18)39-26/h5,7-9,12,14-15,17H,4,6,10-11,13H2,1-3H3,(H2,28,29,30)(H,31,32,38)/b7-5+/t17-/m1/s1
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n/an/a 121n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291283
PNG
(US9580432, Example 14)
Show SMILES C\C=C\C(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3ccccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C22H22N8O3/c1-2-6-16(31)29-10-5-7-13(11-29)30-20-17(19(23)24-12-25-20)18(28-30)21(32)27-22-26-14-8-3-4-9-15(14)33-22/h2-4,6,8-9,12-13H,5,7,10-11H2,1H3,(H2,23,24,25)(H,26,27,32)/b6-2+/t13-/m1/s1
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n/an/a 128n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291289
PNG
(US9580432, Example 20)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12)[C@@H]1CCCN(C1)C(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C27H30ClN9O3/c28-17-8-9-20-19(14-17)32-27(40-20)33-26(39)23-22-24(29)30-16-31-25(22)37(34-23)18-6-4-13-36(15-18)21(38)7-5-12-35-10-2-1-3-11-35/h5,7-9,14,16,18H,1-4,6,10-13,15H2,(H2,29,30,31)(H,32,33,39)/b7-5+/t18-/m1/s1
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n/an/a 138n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291288
PNG
(US9580432, Example 19)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4cc(Cl)ccc4o3)c12)[C@@H]1CCCN(C1)C(=O)\C=C\CN1CCCC1
Show InChI InChI=1S/C26H28ClN9O3/c27-16-7-8-19-18(13-16)31-26(39-19)32-25(38)22-21-23(28)29-15-30-24(21)36(33-22)17-5-3-12-35(14-17)20(37)6-4-11-34-9-1-2-10-34/h4,6-8,13,15,17H,1-3,5,9-12,14H2,(H2,28,29,30)(H,31,32,38)/b6-4+/t17-/m1/s1
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n/an/a 145n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291284
PNG
(US9580432, Example 15)
Show SMILES CN(C)C\C=C\C(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C24H26ClN9O3/c1-32(2)9-4-6-18(35)33-10-3-5-15(12-33)34-22-19(21(26)27-13-28-22)20(31-34)23(36)30-24-29-16-11-14(25)7-8-17(16)37-24/h4,6-8,11,13,15H,3,5,9-10,12H2,1-2H3,(H2,26,27,28)(H,29,30,36)/b6-4+/t15-/m1/s1
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n/an/a 145n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291290
PNG
(US9580432, Example 21)
Show SMILES CN(C)C\C=C\C(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3cc(ccc3o2)-c2cccs2)c2c(N)ncnc12
Show InChI InChI=1S/C28H29N9O3S/c1-35(2)11-4-8-22(38)36-12-3-6-18(15-36)37-26-23(25(29)30-16-31-26)24(34-37)27(39)33-28-32-19-14-17(9-10-20(19)40-28)21-7-5-13-41-21/h4-5,7-10,13-14,16,18H,3,6,11-12,15H2,1-2H3,(H2,29,30,31)(H,32,33,39)/b8-4+/t18-/m1/s1
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n/an/a 147n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291286
PNG
(US9580432, Example 17)
Show SMILES CCN(CC)C\C=C\C(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C26H30ClN9O3/c1-3-34(4-2)11-6-8-20(37)35-12-5-7-17(14-35)36-24-21(23(28)29-15-30-24)22(33-36)25(38)32-26-31-18-13-16(27)9-10-19(18)39-26/h6,8-10,13,15,17H,3-5,7,11-12,14H2,1-2H3,(H2,28,29,30)(H,31,32,38)/b8-6+/t17-/m1/s1
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n/an/a 157n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291285
PNG
(US9580432, Example 16)
Show SMILES CCN(C)C\C=C\C(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C25H28ClN9O3/c1-3-33(2)10-5-7-19(36)34-11-4-6-16(13-34)35-23-20(22(27)28-14-29-23)21(32-35)24(37)31-25-30-17-12-15(26)8-9-18(17)38-25/h5,7-9,12,14,16H,3-4,6,10-11,13H2,1-2H3,(H2,27,28,29)(H,30,31,37)/b7-5+/t16-/m1/s1
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n/an/a 158n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291338
PNG
(US9580432, Example 69)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4ccccc4o3)c12)C1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C21H20N8O3/c1-2-15(30)28-9-7-12(8-10-28)29-19-16(18(22)23-11-24-19)17(27-29)20(31)26-21-25-13-5-3-4-6-14(13)32-21/h2-6,11-12H,1,7-10H2,(H2,22,23,24)(H,25,26,31)
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n/an/a 162n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291294
PNG
(US9580432, Example 25)
Show SMILES C\C=C\C(=O)N1CC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C21H19ClN8O3/c1-2-3-15(31)29-7-6-12(9-29)30-19-16(18(23)24-10-25-19)17(28-30)20(32)27-21-26-13-8-11(22)4-5-14(13)33-21/h2-5,8,10,12H,6-7,9H2,1H3,(H2,23,24,25)(H,26,27,32)/b3-2+/t12-/m1/s1
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n/an/a 174n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291346
PNG
(US9580432, Example 77)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)nc(C(=O)Nc3nc4cc(F)ccc4o3)c12
Show InChI InChI=1S/C22H21FN8O3/c1-2-16(32)30-7-5-12(6-8-30)10-31-20-17(19(24)25-11-26-20)18(29-31)21(33)28-22-27-14-9-13(23)3-4-15(14)34-22/h2-4,9,11-12H,1,5-8,10H2,(H2,24,25,26)(H,27,28,33)
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n/an/a 204n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291350
PNG
(US9580432, Example 81)
Show SMILES Nc1ncnc2n(nc(C(=O)Nc3nc4cc(F)ccc4o3)c12)[C@@H]1CC[C@@H](CC1)NC(=O)C=C
Show InChI InChI=1S/C22H21FN8O3/c1-2-16(32)27-12-4-6-13(7-5-12)31-20-17(19(24)25-10-26-20)18(30-31)21(33)29-22-28-14-9-11(23)3-8-15(14)34-22/h2-3,8-10,12-13H,1,4-7H2,(H,27,32)(H2,24,25,26)(H,28,29,33)/t12-,13+
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n/an/a 205n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291274
PNG
(US9580432, Example 5)
Show SMILES C\C=C\C(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C22H21ClN8O3/c1-2-4-16(32)30-8-3-5-13(10-30)31-20-17(19(24)25-11-26-20)18(29-31)21(33)28-22-27-14-9-12(23)6-7-15(14)34-22/h2,4,6-7,9,11,13H,3,5,8,10H2,1H3,(H2,24,25,26)(H,27,28,33)/b4-2+/t13-/m1/s1
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n/an/a 241n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291342
PNG
(US9580432, Example 73)
Show SMILES CN(C)C\C=C\C(=O)N1CC[C@@H](C1)n1nc(C(=O)Nc2nc3ccccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C23H25N9O3/c1-30(2)10-5-8-17(33)31-11-9-14(12-31)32-21-18(20(24)25-13-26-21)19(29-32)22(34)28-23-27-15-6-3-4-7-16(15)35-23/h3-8,13-14H,9-12H2,1-2H3,(H2,24,25,26)(H,27,28,34)/b8-5+/t14-/m0/s1
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UniChem
US Patent
n/an/a 259n/an/an/an/a7.5n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against BTK kinase activity in vitro, i...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291291
PNG
(US9580432, Example 22)
Show SMILES CC#CC(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3ccccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C22H20N8O3/c1-2-6-16(31)29-10-5-7-13(11-29)30-20-17(19(23)24-12-25-20)18(28-30)21(32)27-22-26-14-8-3-4-9-15(14)33-22/h3-4,8-9,12-13H,5,7,10-11H2,1H3,(H2,23,24,25)(H,26,27,32)/t13-/m1/s1
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n/an/a 260n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291295
PNG
(US9580432, Example 26)
Show SMILES CC(C)=CC(=O)N1CC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C22H21ClN8O3/c1-11(2)7-16(32)30-6-5-13(9-30)31-20-17(19(24)25-10-26-20)18(29-31)21(33)28-22-27-14-8-12(23)3-4-15(14)34-22/h3-4,7-8,10,13H,5-6,9H2,1-2H3,(H2,24,25,26)(H,27,28,33)/t13-/m1/s1
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n/an/a 643n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291273
PNG
(5-cyanobenzo[d]oxazol-2-amine | US9580432, Example...)
Show SMILES CC(=C)C(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3cc(Cl)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C22H21ClN8O3/c1-11(2)21(33)30-7-3-4-13(9-30)31-19-16(18(24)25-10-26-19)17(29-31)20(32)28-22-27-14-8-12(23)5-6-15(14)34-22/h5-6,8,10,13H,1,3-4,7,9H2,2H3,(H2,24,25,26)(H,27,28,32)/t13-/m1/s1
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n/an/a 929n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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


(Homo sapiens (human))
BDBM291280
PNG
(US9580432, Example 11)
Show SMILES CC(=C)C(=O)N1CCC[C@H](C1)n1nc(C(=O)Nc2nc3cc(F)ccc3o2)c2c(N)ncnc12
Show InChI InChI=1S/C22H21FN8O3/c1-11(2)21(33)30-7-3-4-13(9-30)31-19-16(18(24)25-10-26-19)17(29-31)20(32)28-22-27-14-8-12(23)5-6-15(14)34-22/h5-6,8,10,13H,1,3-4,7,9H2,2H3,(H2,24,25,26)(H,27,28,32)/t13-/m1/s1
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n/an/a 1.30E+3n/an/an/an/a7.525



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
With regard to the setting of the conditions for a method for measuring the inhibitory activity of a compound against EGFR kinase activity in vitro, ...


US Patent US9580432 (2017)

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