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Patent code US10413562

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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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/an/an/a



Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291402
PNG
(1-(2-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)a...)
Show SMILES Nc1ncnc(N[C@H]2CC3(C2)CCN(C3)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H27N5O2/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/h2-11,17,19H,1,12-16H2,(H3,27,28,29,30)/t19-,26?
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n/an/a<100n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291406
PNG
(N-(1,3-trans-3-((6-amino-5-(4-phenoxyphenyl)pyrimi...)
Show SMILES Nc1ncnc(N[C@H]2C[C@@H](C2)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C23H23N5O2/c1-2-20(29)27-16-12-17(13-16)28-23-21(22(24)25-14-26-23)15-8-10-19(11-9-15)30-18-6-4-3-5-7-18/h2-11,14,16-17H,1,12-13H2,(H,27,29)(H3,24,25,26,28)/t16-,17-
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n/an/a<100n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291407
PNG
(N-((1,3-cis-3-((6-amino-5-(4-phenoxyphenyl)pyrimid...)
Show SMILES Nc1ncnc(N[C@@H]2C[C@@H](C2)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C23H23N5O2/c1-2-20(29)27-16-12-17(13-16)28-23-21(22(24)25-14-26-23)15-8-10-19(11-9-15)30-18-6-4-3-5-7-18/h2-11,14,16-17H,1,12-13H2,(H,27,29)(H3,24,25,26,28)/t16-,17+
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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291421
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/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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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291439
PNG
(N-(3-((6-amino-5-(6-phenoxypyridin-3-yl)pyrimidin-...)
Show SMILES Nc1ncnc(Oc2cc(NC(=O)C=C)ccc2F)c1-c1ccc(Oc2ccccc2)nc1
Show InChI InChI=1S/C24H18FN5O3/c1-2-20(31)30-16-9-10-18(25)19(12-16)33-24-22(23(26)28-14-29-24)15-8-11-21(27-13-15)32-17-6-4-3-5-7-17/h2-14H,1H2,(H,30,31)(H2,26,28,29)
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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291445
PNG
(N-(6-((5-(4-phenoxyphenyl)pyrimidin-4-yl)amino)pyr...)
Show SMILES C=CC(=O)Nc1cccc(Nc2ncncc2-c2ccc(Oc3ccccc3)cc2)n1
Show InChI InChI=1S/C24H19N5O2/c1-2-23(30)28-21-9-6-10-22(27-21)29-24-20(15-25-16-26-24)17-11-13-19(14-12-17)31-18-7-4-3-5-8-18/h2-16H,1H2,(H2,25,26,27,28,29,30)
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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
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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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291456
PNG
((R)-N4-(1-((perfluorophenyl)sulfonyl)pyrrolidin-3-...)
Show SMILES Nc1ncnc(N[C@@H]2CCN(C2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H20F5N5O3S/c27-19-20(28)22(30)24(23(31)21(19)29)40(37,38)36-11-10-15(12-36)35-26-18(25(32)33-13-34-26)14-6-8-17(9-7-14)39-16-4-2-1-3-5-16/h1-9,13,15H,10-12H2,(H3,32,33,34,35)/t15-/m1/s1
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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM413619
PNG
(N-(3-((6-amino-5-(1-(3,5-difluorobenzyl)-1H-pyrazo...)
Show SMILES Nc1ncnc(Nc2cccc(NC(=O)C=C)c2)c1-c1cnn(Cc2cc(F)cc(F)c2)c1
Show InChI InChI=1S/C23H19F2N7O/c1-2-20(33)30-18-4-3-5-19(9-18)31-23-21(22(26)27-13-28-23)15-10-29-32(12-15)11-14-6-16(24)8-17(25)7-14/h2-10,12-13H,1,11H2,(H,30,33)(H3,26,27,28,31)
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US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291474
PNG
(N-(3-((6-amino-5-(1-(2-cyanobenzal)-1H-pyrazol-4-y...)
Show SMILES Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1cnn(Cc2ccccc2C#N)c1
Show InChI InChI=1S/C24H19N7O2/c1-2-21(32)30-19-8-5-9-20(10-19)33-24-22(23(26)27-15-28-24)18-12-29-31(14-18)13-17-7-4-3-6-16(17)11-25/h2-10,12,14-15H,1,13H2,(H,30,32)(H2,26,27,28)
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US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291487
PNG
(US10413562, Compound A206 | US9580449, Example A20...)
Show SMILES COC(=O)c1cccc(Cn2cc(cn2)-c2c(N)ncnc2Oc2cccc(NC(=O)C=C)c2)c1
Show InChI InChI=1S/C25H22N6O4/c1-3-21(32)30-19-8-5-9-20(11-19)35-24-22(23(26)27-15-28-24)18-12-29-31(14-18)13-16-6-4-7-17(10-16)25(33)34-2/h3-12,14-15H,1,13H2,2H3,(H,30,32)(H2,26,27,28)
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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291527
PNG
(N-(3-((5-(4-phenoxyphenyl)pyrimidin-4-yl)oxy)pheny...)
Show SMILES C=CC(=O)Nc1cccc(Oc2ncncc2-c2ccc(Oc3ccccc3)cc2)c1
Show InChI InChI=1S/C25H19N3O3/c1-2-24(29)28-19-7-6-10-22(15-19)31-25-23(16-26-17-27-25)18-11-13-21(14-12-18)30-20-8-4-3-5-9-20/h2-17H,1H2,(H,28,29)
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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
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
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291533
PNG
(N-(3-((6-amino-5-(4-((3-fluorobenzyl)oxy)phenyl)py...)
Show SMILES Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1ccc(OCc2cccc(F)c2)cc1
Show InChI InChI=1S/C26H21FN4O3/c1-2-23(32)31-20-7-4-8-22(14-20)34-26-24(25(28)29-16-30-26)18-9-11-21(12-10-18)33-15-17-5-3-6-19(27)13-17/h2-14,16H,1,15H2,(H,31,32)(H2,28,29,30)
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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291537
PNG
(N-(3-((6-amino-5-(4-((4-methoxybenzyl)oxy)phenyl)p...)
Show SMILES COc1ccc(COc2ccc(cc2)-c2c(N)ncnc2Oc2cccc(NC(=O)C=C)c2)cc1
Show InChI InChI=1S/C27H24N4O4/c1-3-24(32)31-20-5-4-6-23(15-20)35-27-25(26(28)29-17-30-27)19-9-13-22(14-10-19)34-16-18-7-11-21(33-2)12-8-18/h3-15,17H,1,16H2,2H3,(H,31,32)(H2,28,29,30)
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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
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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n/an/a<100n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291549
PNG
((S)-1-(3-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-...)
Show SMILES Nc1ncnc(N[C@H]2CCCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H25N5O2/c1-2-21(30)29-14-6-7-18(15-29)28-24-22(23(25)26-16-27-24)17-10-12-20(13-11-17)31-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H3,25,26,27,28)/t18-/m0/s1
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US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291550
PNG
(N-((1 r,4r)-4-((6-amino-5-(4-phenoxyphenyl)pyrimid...)
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
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291609
PNG
(N-(3-((6-amino-5-(4-(benzyloxy)-2,5-difluorophenyl...)
Show SMILES Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1cc(F)c(OCc2ccccc2)cc1F
Show InChI InChI=1S/C26H20F2N4O3/c1-2-23(33)32-17-9-6-10-18(11-17)35-26-24(25(29)30-15-31-26)19-12-21(28)22(13-20(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
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
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
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291613
PNG
(N-{3-[6-Amino-5-(4-phenoxy-phenyl)-pyrimidin-4-ylo...)
Show SMILES Nc1ncnc(Oc2cccc(NC(=O)CCl)c2)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H19ClN4O3/c25-14-21(30)29-17-5-4-8-20(13-17)32-24-22(23(26)27-15-28-24)16-9-11-19(12-10-16)31-18-6-2-1-3-7-18/h1-13,15H,14H2,(H,29,30)(H2,26,27,28)
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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291448
PNG
(1-(3-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)...)
Show SMILES Nc1ncnc(OCC2CCCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H26N4O3/c1-2-22(30)29-14-6-7-18(15-29)16-31-25-23(24(26)27-17-28-25)19-10-12-21(13-11-19)32-20-8-4-3-5-9-20/h2-5,8-13,17-18H,1,6-7,14-16H2,(H2,26,27,28)
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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291554
PNG
((S)-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/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)/t17-/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291452
PNG
(N-((1R,3S)-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+/m1/s1
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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291392
PNG
(1-(3-(2-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-y...)
Show SMILES Nc1ncnc(NCCC2CN(C2)C(=O)C#C)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H23N5O2/c1-2-21(30)29-14-17(15-29)12-13-26-24-22(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)
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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
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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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291408
PNG
(US10413562, Compound A119 | US9580449, Example A11...)
Show SMILES Nc1ncnc(NC2CC3(C2)CN(C3)S(=O)(=O)CCCl)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H26ClN5O3S/c25-10-11-34(31,32)30-14-24(15-30)12-18(13-24)29-23-21(22(26)27-16-28-23)17-6-8-20(9-7-17)33-19-4-2-1-3-5-19/h1-9,16,18H,10-15H2,(H3,26,27,28,29)
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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
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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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291449
PNG
(1-((3S,4S)-4-(((6-amino-5-(4-(3-(trifluoromethyl)p...)
Show SMILES Nc1ncnc(NC[C@@H]2CCN(C[C@H]2O)C(=O)C=C)c1-c1ccc(Oc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H26F3N5O3/c1-2-22(36)34-11-10-17(21(35)14-34)13-31-25-23(24(30)32-15-33-25)16-6-8-19(9-7-16)37-20-5-3-4-18(12-20)26(27,28)29/h2-9,12,15,17,21,35H,1,10-11,13-14H2,(H3,30,31,32,33)/t17-,21+/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291463
PNG
(N-(3-((6-amino-5-(1-(2-fluorobenzyl)-1H-pyrazol-4-...)
Show SMILES Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1cnn(Cc2ccccc2F)c1
Show InChI InChI=1S/C23H19FN6O2/c1-2-20(31)29-17-7-5-8-18(10-17)32-23-21(22(25)26-14-27-23)16-11-28-30(13-16)12-15-6-3-4-9-19(15)24/h2-11,13-14H,1,12H2,(H,29,31)(H2,25,26,27)
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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
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
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
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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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291486
PNG
(1-((3R,5R)-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-/m1/s1
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US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
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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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
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

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Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291545
PNG
(N-(3-((2-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)o...)
Show SMILES Nc1ncc(c(Oc2cccc(NC(=O)C=C)c2)n1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H20N4O3/c1-2-23(30)28-18-7-6-10-21(15-18)32-24-22(16-27-25(26)29-24)17-11-13-20(14-12-17)31-19-8-4-3-5-9-19/h2-16H,1H2,(H,28,30)(H2,26,27,29)
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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291616
PNG
(N-{3-[6-Amino-5-(4-benzyloxy-phenyl)-pyrimidin-4-y...)
Show SMILES CCC(=O)Nc1cccc(Oc2ncnc(N)c2-c2ccc(OCc3ccccc3)cc2)c1
Show InChI InChI=1S/C26H24N4O3/c1-2-23(31)30-20-9-6-10-22(15-20)33-26-24(25(27)28-17-29-26)19-11-13-21(14-12-19)32-16-18-7-4-3-5-8-18/h3-15,17H,2,16H2,1H3,(H,30,31)(H2,27,28,29)
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n/an/a<100n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
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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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291663
PNG
(1-(trans-3-((6-amino-5-(4-phenoxyphenyl)pyrimidin-...)
Show SMILES Nc1ncnc(N[C@H]2CN(C[C@@H]2O)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C23H23N5O3/c1-2-20(30)28-12-18(19(29)13-28)27-23-21(22(24)25-14-26-23)15-8-10-17(11-9-15)31-16-6-4-3-5-7-16/h2-11,14,18-19,29H,1,12-13H2,(H3,24,25,26,27)/t18-,19-/m0/s1
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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291684
PNG
(1-(4-(((6-amino-5-(4-(p-tolyloxy)phenyl)pyrimidin-...)
Show SMILES Cc1ccc(Oc2ccc(cc2)-c2c(N)ncnc2NCC2CCN(CC2)C(=O)C=C)cc1
Show InChI InChI=1S/C26H29N5O2/c1-3-23(32)31-14-12-19(13-15-31)16-28-26-24(25(27)29-17-30-26)20-6-10-22(11-7-20)33-21-8-4-18(2)5-9-21/h3-11,17,19H,1,12-16H2,2H3,(H3,27,28,29,30)
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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
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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n/an/a<100n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM413588
PNG
((E)-N-(3-((2-amino-3-(4-phenoxyphenyl)pyridin-4-yl...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Oc2ccnc(N)c2-c2ccc(Oc3ccccc3)cc2)c1
Show InChI InChI=1S/C29H28N4O3/c1-33(2)19-7-12-27(34)32-22-8-6-11-25(20-22)36-26-17-18-31-29(30)28(26)21-13-15-24(16-14-21)35-23-9-4-3-5-10-23/h3-18,20H,19H2,1-2H3,(H2,30,31)(H,32,34)/b12-7+
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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
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/an/an/a



Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
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/an/an/a



Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
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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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
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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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291507
PNG
((E)-1-(4-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4...)
Show SMILES CN(C)C\C=C\C(=O)N1CCC(F)(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C28H33FN6O2/c1-34(2)16-6-9-24(36)35-17-14-28(29,15-18-35)19-31-27-25(26(30)32-20-33-27)21-10-12-23(13-11-21)37-22-7-4-3-5-8-22/h3-13,20H,14-19H2,1-2H3,(H3,30,31,32,33)/b9-6+
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Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291512
PNG
(N-(3-(4-amino-6-((4-phenoxyphenyl)amino)pyrimidin-...)
Show SMILES Nc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C25H21N5O2/c1-2-22(31)29-19-8-6-7-17(15-19)23-24(26)27-16-28-25(23)30-18-11-13-21(14-12-18)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/an/an/a



Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291519
PNG
((E)-N-(3-(4-amino-6-(4-phenoxyphenoxy)pyrimidin-5-...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1c(N)ncnc1Oc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C28H27N5O3/c1-33(2)17-7-12-25(34)32-21-9-6-8-20(18-21)26-27(29)30-19-31-28(26)36-24-15-13-23(14-16-24)35-22-10-4-3-5-11-22/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/an/an/a



Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 298 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%