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Patent code US9580449

Compile Data Set for Download or QSAR

Found 298 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))
BDBM291634
PNG
(1-(4-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)...)
Show SMILES Nc1ncnc(NCC2CCN(CC2)C(=O)CCl)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H26ClN5O2/c25-14-21(31)30-12-10-17(11-13-30)15-27-24-22(23(26)28-16-29-24)18-6-8-20(9-7-18)32-19-4-2-1-3-5-19/h1-9,16-17H,10-15H2,(H3,26,27,28,29)
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n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291410
PNG
(1-(4-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)...)
Show SMILES COC1(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C26H29N5O3/c1-3-22(32)31-15-13-26(33-2,14-16-31)17-28-25-23(24(27)29-18-30-25)19-9-11-21(12-10-19)34-20-7-5-4-6-8-20/h3-12,18H,1,13-17H2,2H3,(H3,27,28,29,30)
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n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291413
PNG
(1-(6-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)a...)
Show SMILES Nc1ncnc(NC2CC3(C2)CN(C3)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H25N5O2/c1-2-21(31)30-14-25(15-30)12-18(13-25)29-24-22(23(26)27-16-28-24)17-8-10-20(11-9-17)32-19-6-4-3-5-7-19/h2-11,16,18H,1,12-15H2,(H3,26,27,28,29)
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n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291422
PNG
(1-((1S,3S)-3-(6-Amino-5-(4-phenoxyphenyl)-pyrimidi...)
Show SMILES CC#CC(=O)[C@H]1CCCC(C1)Nc1ncnc(N)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H26N4O2/c1-2-7-23(31)19-8-6-9-20(16-19)30-26-24(25(27)28-17-29-26)18-12-14-22(15-13-18)32-21-10-4-3-5-11-21/h3-5,10-15,17,19-20H,6,8-9,16H2,1H3,(H3,27,28,29,30)/t19-,20?/m0/s1
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n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291423
PNG
(1-((1S,3R)-3-(6-Amino-5-(4-phenoxyphenyl)-pyrimidi...)
Show SMILES CC=CC(=O)[C@H]1CCC[C@H](C1)Nc1ncnc(N)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H28N4O2/c1-2-7-23(31)19-8-6-9-20(16-19)30-26-24(25(27)28-17-29-26)18-12-14-22(15-13-18)32-21-10-4-3-5-11-21/h2-5,7,10-15,17,19-20H,6,8-9,16H2,1H3,(H3,27,28,29,30)/t19-,20+/m0/s1
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n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291428
PNG
((E)-N-(3-((2-amino-3-(4-phenoxyphenyl)pyridin-4-yl...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2ccnc(N)c2-c2ccc(Oc3ccccc3)cc2)c1
Show InChI InChI=1S/C29H29N5O2/c1-34(2)19-7-12-27(35)33-23-9-6-8-22(20-23)32-26-17-18-31-29(30)28(26)21-13-15-25(16-14-21)36-24-10-4-3-5-11-24/h3-18,20H,19H2,1-2H3,(H,33,35)(H3,30,31,32)/b12-7+
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n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291451
PNG
(N-((1S,3R)-3-((6-amino-5-(4-phenoxyphenyl)pyrimidi...)
Show SMILES Nc1ncnc(N[C@@H]2CCC[C@@H](C2)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H27N5O2/c1-2-22(31)29-18-7-6-8-19(15-18)30-25-23(24(26)27-16-28-25)17-11-13-21(14-12-17)32-20-9-4-3-5-10-20/h2-5,9-14,16,18-19H,1,6-8,15H2,(H,29,31)(H3,26,27,28,30)/t18-,19+/m0/s1
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n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291455
PNG
(N-(4-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)a...)
Show SMILES Nc1ncnc(NC23CC(C2)(CC3)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H25N5O2/c1-2-20(31)29-24-12-13-25(14-24,15-24)30-23-21(22(26)27-16-28-23)17-8-10-19(11-9-17)32-18-6-4-3-5-7-18/h2-11,16H,1,12-15H2,(H,29,31)(H3,26,27,28,30)
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n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291465
PNG
(N-(5-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)a...)
Show SMILES Nc1ncnc(Nc2cncc(NC(=O)C=C)c2)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H20N6O2/c1-2-21(31)29-17-12-18(14-26-13-17)30-24-22(23(25)27-15-28-24)16-8-10-20(11-9-16)32-19-6-4-3-5-7-19/h2-15H,1H2,(H,29,31)(H3,25,27,28,30)
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n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291466
PNG
(N-(3-((6-amino-5-(1-(4-fluorobenzyl)-1H-pyrazol-4-...)
Show SMILES Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1cnn(Cc2ccc(F)cc2)c1
Show InChI InChI=1S/C23H19FN6O2/c1-2-20(31)29-18-4-3-5-19(10-18)32-23-21(22(25)26-14-27-23)16-11-28-30(13-16)12-15-6-8-17(24)9-7-15/h2-11,13-14H,1,12H2,(H,29,31)(H2,25,26,27)
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n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291478
PNG
(N-(3-((6-amino-5-(1-(3-methoxybenzyl)-1H-pyrazol-4...)
Show SMILES COc1cccc(Cn2cc(cn2)-c2c(N)ncnc2Oc2cccc(NC(=O)C=C)c2)c1
Show InChI InChI=1S/C24H22N6O3/c1-3-21(31)29-18-7-5-9-20(11-18)33-24-22(23(25)26-15-27-24)17-12-28-30(14-17)13-16-6-4-8-19(10-16)32-2/h3-12,14-15H,1,13H2,2H3,(H,29,31)(H2,25,26,27)
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n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291502
PNG
((E)-1-(6-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-...)
Show SMILES Nc1ncnc(OC2CC3(C2)CN(C3)C(=O)\C=C\CN2CC(F)C2)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C29H30FN5O3/c30-21-15-34(16-21)12-4-7-25(36)35-17-29(18-35)13-24(14-29)38-28-26(27(31)32-19-33-28)20-8-10-23(11-9-20)37-22-5-2-1-3-6-22/h1-11,19,21,24H,12-18H2,(H2,31,32,33)/b7-4+
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Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291514
PNG
(N-(3-(2-amino-4-(4-phenoxyphenoxy)pyridin-3-yl)phe...)
Show SMILES Nc1nccc(Oc2ccc(Oc3ccccc3)cc2)c1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C26H21N3O3/c1-2-24(30)29-19-8-6-7-18(17-19)25-23(15-16-28-26(25)27)32-22-13-11-21(12-14-22)31-20-9-4-3-5-10-20/h2-17H,1H2,(H2,27,28)(H,29,30)
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n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291523
PNG
(N-(5-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)o...)
Show SMILES Nc1ncnc(Oc2cc(NC(=O)C=C)c(F)cc2F)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H18F2N4O3/c1-2-22(32)31-20-13-21(19(27)12-18(20)26)34-25-23(24(28)29-14-30-25)15-8-10-17(11-9-15)33-16-6-4-3-5-7-16/h2-14H,1H2,(H,31,32)(H2,28,29,30)
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n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291526
PNG
(N-(3-((6-amino-5-(4-((2-methoxybenzyl)oxy)phenyl)p...)
Show SMILES COc1ccccc1COc1ccc(cc1)-c1c(N)ncnc1Oc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C27H24N4O4/c1-3-24(32)31-20-8-6-9-22(15-20)35-27-25(26(28)29-17-30-27)18-11-13-21(14-12-18)34-16-19-7-4-5-10-23(19)33-2/h3-15,17H,1,16H2,2H3,(H,31,32)(H2,28,29,30)
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n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291529
PNG
(N-(3-((6-amino-5-(4-(benzyloxy)-2,3-difluorophenyl...)
Show SMILES Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1ccc(OCc2ccccc2)c(F)c1F
Show InChI InChI=1S/C26H20F2N4O3/c1-2-21(33)32-17-9-6-10-18(13-17)35-26-22(25(29)30-15-31-26)19-11-12-20(24(28)23(19)27)34-14-16-7-4-3-5-8-16/h2-13,15H,1,14H2,(H,32,33)(H2,29,30,31)
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Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291539
PNG
(N-((1s,4s)-4-((6-amino-5-(4-phenoxyphenyl)pyrimidi...)
Show SMILES Nc1ncnc(N[C@@H]2CC[C@@H](CC2)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H27N5O2/c1-2-22(31)29-18-10-12-19(13-11-18)30-25-23(24(26)27-16-28-25)17-8-14-21(15-9-17)32-20-6-4-3-5-7-20/h2-9,14-16,18-19H,1,10-13H2,(H,29,31)(H3,26,27,28,30)/t18-,19+
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Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291542
PNG
(1-(3-((6-amino-5-(4-(benzyloxy)phenyl)pyrimidin-4-...)
Show SMILES Nc1ncnc(NC2CCCN(C2)C(=O)C=C)c1-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C25H27N5O2/c1-2-22(31)30-14-6-9-20(15-30)29-25-23(24(26)27-17-28-25)19-10-12-21(13-11-19)32-16-18-7-4-3-5-8-18/h2-5,7-8,10-13,17,20H,1,6,9,14-16H2,(H3,26,27,28,29)
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n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291551
PNG
(N-(3-((6-amino-5-(4-fluoro-3-methoxyphenyl)pyrimid...)
Show SMILES COc1cc(ccc1F)-c1c(N)ncnc1Oc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C20H17FN4O3/c1-3-17(26)25-13-5-4-6-14(10-13)28-20-18(19(22)23-11-24-20)12-7-8-15(21)16(9-12)27-2/h3-11H,1H2,2H3,(H,25,26)(H2,22,23,24)
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n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291388
PNG
((R)-1-(3-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-...)
Show SMILES Nc1ncnc(N[C@@H]2CCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C23H23N5O2/c1-2-20(29)28-13-12-17(14-28)27-23-21(22(24)25-15-26-23)16-8-10-19(11-9-16)30-18-6-4-3-5-7-18/h2-11,15,17H,1,12-14H2,(H3,24,25,26,27)/t17-/m1/s1
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n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291573
PNG
(N-(3-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)a...)
Show SMILES Nc1ncnc(Nc2cccc(NC(=O)C=C)c2)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H21N5O2/c1-2-22(31)29-18-7-6-8-19(15-18)30-25-23(24(26)27-16-28-25)17-11-13-21(14-12-17)32-20-9-4-3-5-10-20/h2-16H,1H2,(H,29,31)(H3,26,27,28,30)
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n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291655
PNG
(1-(3-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)...)
Show SMILES Nc1ncnc(NCC2CC3CCC(C2)N3C(=O)C#C)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H27N5O2/c1-2-24(33)32-20-10-11-21(32)15-18(14-20)16-29-27-25(26(28)30-17-31-27)19-8-12-23(13-9-19)34-22-6-4-3-5-7-22/h1,3-9,12-13,17-18,20-21H,10-11,14-16H2,(H3,28,29,30,31)
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Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291399
PNG
(1-((3S,4S)-4-(((6-amino-5-(1-benzyl-1H-pyrazol-4-y...)
Show SMILES Nc1ncnc(NC[C@@H]2CCN(C[C@H]2O)C(=O)C#C)c1-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C23H25N7O2/c1-2-20(32)29-9-8-17(19(31)14-29)10-25-23-21(22(24)26-15-27-23)18-11-28-30(13-18)12-16-6-4-3-5-7-16/h1,3-7,11,13,15,17,19,31H,8-10,12,14H2,(H3,24,25,26,27)/t17-,19+/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291416
PNG
((E)-1-(6-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-...)
Show SMILES CN(C)C\C=C\C(=O)N1CC2(CC(C2)Nc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)C1
Show InChI InChI=1S/C28H32N6O2/c1-33(2)14-6-9-24(35)34-17-28(18-34)15-21(16-28)32-27-25(26(29)30-19-31-27)20-10-12-23(13-11-20)36-22-7-4-3-5-8-22/h3-13,19,21H,14-18H2,1-2H3,(H3,29,30,31,32)/b9-6+
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Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291462
PNG
(N-(3-((6-amino-5-(1-(3,5-difluorobenzyl)-1H-pyrazo...)
Show SMILES Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1cnn(Cc2cc(F)cc(F)c2)c1
Show InChI InChI=1S/C23H18F2N6O2/c1-2-20(32)30-18-4-3-5-19(9-18)33-23-21(22(26)27-13-28-23)15-10-29-31(12-15)11-14-6-16(24)8-17(25)7-14/h2-10,12-13H,1,11H2,(H,30,32)(H2,26,27,28)
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Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291475
PNG
(N-(3-((6-amino-5-(1-(3-(trifluoromethyl)benzyl)-1H...)
Show SMILES Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1cnn(Cc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C24H19F3N6O2/c1-2-20(34)32-18-7-4-8-19(10-18)35-23-21(22(28)29-14-30-23)16-11-31-33(13-16)12-15-5-3-6-17(9-15)24(25,26)27/h2-11,13-14H,1,12H2,(H,32,34)(H2,28,29,30)
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Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291504
PNG
((E)-N-(1,3-cis-3-((6-amino-5-(4-phenoxyphenyl)pyri...)
Show SMILES CN(C)C\C=C\C(=O)N[C@H]1C[C@H](C1)Nc1ncnc(N)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H30N6O2/c1-32(2)14-6-9-23(33)30-19-15-20(16-19)31-26-24(25(27)28-17-29-26)18-10-12-22(13-11-18)34-21-7-4-3-5-8-21/h3-13,17,19-20H,14-16H2,1-2H3,(H,30,33)(H3,27,28,29,31)/b9-6+/t19-,20+
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Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291511
PNG
(N-(3-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)o...)
Show SMILES Nc1ncnc(Oc2cccc(NC(=O)C=C)c2F)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H19FN4O3/c1-2-21(31)30-19-9-6-10-20(23(19)26)33-25-22(24(27)28-15-29-25)16-11-13-18(14-12-16)32-17-7-4-3-5-8-17/h2-15H,1H2,(H,30,31)(H2,27,28,29)
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Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291513
PNG
(N-(3-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)o...)
Show SMILES Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H20N4O3/c1-2-22(30)29-18-7-6-10-21(15-18)32-25-23(24(26)27-16-28-25)17-11-13-20(14-12-17)31-19-8-4-3-5-9-19/h2-16H,1H2,(H,29,30)(H2,26,27,28)
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Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291531
PNG
(N-(3-((6-amino-5-(6-(benzyloxy)pyridin-3-yl)pyrimi...)
Show SMILES Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1ccc(OCc2ccccc2)nc1
Show InChI InChI=1S/C25H21N5O3/c1-2-21(31)30-19-9-6-10-20(13-19)33-25-23(24(26)28-16-29-25)18-11-12-22(27-14-18)32-15-17-7-4-3-5-8-17/h2-14,16H,1,15H2,(H,30,31)(H2,26,28,29)
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Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291535
PNG
(1-(3-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)...)
Show SMILES Nc1ncnc(NCC2CCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H25N5O2/c1-2-21(30)29-13-12-17(15-29)14-26-24-22(23(25)27-16-28-24)18-8-10-20(11-9-18)31-19-6-4-3-5-7-19/h2-11,16-17H,1,12-15H2,(H3,25,26,27,28)
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Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291540
PNG
(N-(3-(4-((4-phenoxyphenyl)amino)pyridin-3-yl)pheny...)
Show SMILES C=CC(=O)Nc1cccc(c1)-c1cnccc1Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H21N3O2/c1-2-26(30)29-21-8-6-7-19(17-21)24-18-27-16-15-25(24)28-20-11-13-23(14-12-20)31-22-9-4-3-5-10-22/h2-18H,1H2,(H,27,28)(H,29,30)
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Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291548
PNG
((E)-N-(3-(4-amino-6-(4-phenoxyphenoxy)pyrimidin-5-...)
Show SMILES Nc1ncnc(Oc2ccc(Oc3ccccc3)cc2)c1-c1cccc(NC(=O)\C=C\CN2CCOCC2)c1
Show InChI InChI=1S/C30H29N5O4/c31-29-28(22-6-4-7-23(20-22)34-27(36)10-5-15-35-16-18-37-19-17-35)30(33-21-32-29)39-26-13-11-25(12-14-26)38-24-8-2-1-3-9-24/h1-14,20-21H,15-19H2,(H,34,36)(H2,31,32,33)/b10-5+
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Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291612
PNG
((R)-1-(3-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-...)
Show SMILES CC#CC(=O)N1CC[C@H](C1)Nc1ncnc(N)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H23N5O2/c1-2-6-21(30)29-14-13-18(15-29)28-24-22(23(25)26-16-27-24)17-9-11-20(12-10-17)31-19-7-4-3-5-8-19/h3-5,7-12,16,18H,13-15H2,1H3,(H3,25,26,27,28)/t18-/m1/s1
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Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291617
PNG
(N-{3-[6-Amino-5-(4-benzyloxy-phenyl)-pyrimidin-4-y...)
Show SMILES Nc1ncnc(Oc2cccc(NC(=O)CCl)c2)c1-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C25H21ClN4O3/c26-14-22(31)30-19-7-4-8-21(13-19)33-25-23(24(27)28-16-29-25)18-9-11-20(12-10-18)32-15-17-5-2-1-3-6-17/h1-13,16H,14-15H2,(H,30,31)(H2,27,28,29)
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Merck Patent GmbH

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Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291626
PNG
((R)-1-(3-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4...)
Show SMILES Nc1ncnc(OC[C@@H]2CCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H24N4O3/c1-2-21(29)28-13-12-17(14-28)15-30-24-22(23(25)26-16-27-24)18-8-10-20(11-9-18)31-19-6-4-3-5-7-19/h2-11,16-17H,1,12-15H2,(H2,25,26,27)/t17-/m1/s1
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Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291637
PNG
(1-(3-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)...)
Show SMILES Nc1ncnc(NCC2CC3CCC(C2)N3C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H29N5O2/c1-2-24(33)32-20-10-11-21(32)15-18(14-20)16-29-27-25(26(28)30-17-31-27)19-8-12-23(13-9-19)34-22-6-4-3-5-7-22/h2-9,12-13,17-18,20-21H,1,10-11,14-16H2,(H3,28,29,30,31)
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Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291648
PNG
((R)-1-(3-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4...)
Show SMILES Nc1ncnc(NC[C@H]2CCN(C2)C(=O)C#C)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H23N5O2/c1-2-21(30)29-13-12-17(15-29)14-26-24-22(23(25)27-16-28-24)18-8-10-20(11-9-18)31-19-6-4-3-5-7-19/h1,3-11,16-17H,12-15H2,(H3,25,26,27,28)/t17-/m1/s1
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Merck Patent GmbH

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Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291660
PNG
(N-(3-((6-amino-5-(1-(4-methoxybenzyl)-1H-pyrazol-4...)
Show SMILES COc1ccc(Cn2cc(cn2)-c2c(N)ncnc2Oc2cccc(NC(=O)C=C)c2)cc1
Show InChI InChI=1S/C24H22N6O3/c1-3-21(31)29-18-5-4-6-20(11-18)33-24-22(23(25)26-15-27-24)17-12-28-30(14-17)13-16-7-9-19(32-2)10-8-16/h3-12,14-15H,1,13H2,2H3,(H,29,31)(H2,25,26,27)
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n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291396
PNG
(1-(6-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)a...)
Show SMILES CC#CC(=O)N1CC2(CC(C2)Nc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)C1
Show InChI InChI=1S/C26H25N5O2/c1-2-6-22(32)31-15-26(16-31)13-19(14-26)30-25-23(24(27)28-17-29-25)18-9-11-21(12-10-18)33-20-7-4-3-5-8-20/h3-5,7-12,17,19H,13-16H2,1H3,(H3,27,28,29,30)
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UniChem
US Patent
n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291397
PNG
(1-((3S,4S)-4-(((6-amino-5-(1-benzyl-1H-pyrazol-4-y...)
Show SMILES Nc1ncnc(NC[C@@H]2CCN(C[C@H]2O)C(=O)C=C)c1-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C23H27N7O2/c1-2-20(32)29-9-8-17(19(31)14-29)10-25-23-21(22(24)26-15-27-23)18-11-28-30(13-18)12-16-6-4-3-5-7-16/h2-7,11,13,15,17,19,31H,1,8-10,12,14H2,(H3,24,25,26,27)/t17-,19+/m0/s1
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UniChem
US Patent
n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291404
PNG
(1-(2-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)a...)
Show SMILES Nc1ncnc(NC2CC3(C2)CCN(C3)C(=O)C#C)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H25N5O2/c1-2-22(32)31-13-12-26(16-31)14-19(15-26)30-25-23(24(27)28-17-29-25)18-8-10-21(11-9-18)33-20-6-4-3-5-7-20/h1,3-11,17,19H,12-16H2,(H3,27,28,29,30)
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UniChem
US Patent
n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291424
PNG
(1-((1S,3R)-3-(6-amino-5-(4-phenoxyphenyl)-pyrimidi...)
Show SMILES CC#CC(=O)[C@H]1CCC[C@H](C1)Nc1ncnc(N)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H26N4O2/c1-2-7-23(31)19-8-6-9-20(16-19)30-26-24(25(27)28-17-29-26)18-12-14-22(15-13-18)32-21-10-4-3-5-11-21/h3-5,10-15,17,19-20H,6,8-9,16H2,1H3,(H3,27,28,29,30)/t19-,20+/m0/s1
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UniChem
US Patent
n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291440
PNG
(N-(3-((6-amino-5-(4-(pyridin-2-yloxy)phenyl)pyrimi...)
Show SMILES Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1ccc(Oc2ccccn2)cc1
Show InChI InChI=1S/C24H19N5O3/c1-2-20(30)29-17-6-5-7-19(14-17)32-24-22(23(25)27-15-28-24)16-9-11-18(12-10-16)31-21-8-3-4-13-26-21/h2-15H,1H2,(H,29,30)(H2,25,27,28)
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n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291470
PNG
(N-(3-((6-amino-5-(1-(3-methylbenzyl)-1H-pyrazol-4-...)
Show SMILES Cc1cccc(Cn2cc(cn2)-c2c(N)ncnc2Oc2cccc(NC(=O)C=C)c2)c1
Show InChI InChI=1S/C24H22N6O2/c1-3-21(31)29-19-8-5-9-20(11-19)32-24-22(23(25)26-15-27-24)18-12-28-30(14-18)13-17-7-4-6-16(2)10-17/h3-12,14-15H,1,13H2,2H3,(H,29,31)(H2,25,26,27)
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UniChem
US Patent
n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291485
PNG
(1-((3S,5S)-3-((6-amino-5-(4-phenoxyphenyl)pyrimidi...)
Show SMILES Nc1ncnc(N[C@H]2C[C@H](F)CN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H24FN5O2/c1-2-21(31)30-13-17(25)12-18(14-30)29-24-22(23(26)27-15-28-24)16-8-10-20(11-9-16)32-19-6-4-3-5-7-19/h2-11,15,17-18H,1,12-14H2,(H3,26,27,28,29)/t17-,18-/m0/s1
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US Patent
n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291495
PNG
(1-((3S,4S)-4-(((6-amino-5-(4-phenoxyphenyl)pyrimid...)
Show SMILES CC#CC(=O)N1CC[C@@H](CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)[C@H](O)C1
Show InChI InChI=1S/C26H27N5O3/c1-2-6-23(33)31-14-13-19(22(32)16-31)15-28-26-24(25(27)29-17-30-26)18-9-11-21(12-10-18)34-20-7-4-3-5-8-20/h3-5,7-12,17,19,22,32H,13-16H2,1H3,(H3,27,28,29,30)/t19-,22+/m0/s1
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n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291496
PNG
(1-acryloyl-4-(((6-amino-5-(4-phenoxyphenyl)pyrimid...)
Show SMILES Nc1ncnc(NCC2(CCN(CC2)C(=O)C=C)C(O)=O)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H27N5O4/c1-2-21(32)31-14-12-26(13-15-31,25(33)34)16-28-24-22(23(27)29-17-30-24)18-8-10-20(11-9-18)35-19-6-4-3-5-7-19/h2-11,17H,1,12-16H2,(H,33,34)(H3,27,28,29,30)
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US Patent
n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291524
PNG
((E)-N-(3-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Oc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)c1
Show InChI InChI=1S/C28H27N5O3/c1-33(2)17-7-12-25(34)32-21-8-6-11-24(18-21)36-28-26(27(29)30-19-31-28)20-13-15-23(16-14-20)35-22-9-4-3-5-10-22/h3-16,18-19H,17H2,1-2H3,(H,32,34)(H2,29,30,31)/b12-7+
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n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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


(Homo sapiens (human))
BDBM291544
PNG
(N-(3-((3-(4-phenoxyphenyl)pyridin-4-yl)oxy)phenyl)...)
Show SMILES C=CC(=O)Nc1cccc(Oc2ccncc2-c2ccc(Oc3ccccc3)cc2)c1
Show InChI InChI=1S/C26H20N2O3/c1-2-26(29)28-20-7-6-10-23(17-20)31-25-15-16-27-18-24(25)19-11-13-22(14-12-19)30-21-8-4-3-5-9-21/h2-18H,1H2,(H,28,29)
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US Patent
n/an/a<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)

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