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Patent code US9796716

Compile Data Set for Download or QSAR
Found 127 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))
BDBM351764
PNG
(US9796716, Compound 10)
Show SMILES COc1cccc(COc2cccc(Oc3ccc(cc3)-c3nn(C4CCCC4)c4ncnc(N)c34)c2)c1
Show InChI InChI=1S/C30H29N5O3/c1-36-24-9-4-6-20(16-24)18-37-25-10-5-11-26(17-25)38-23-14-12-21(13-15-23)28-27-29(31)32-19-33-30(27)35(34-28)22-7-2-3-8-22/h4-6,9-17,19,22H,2-3,7-8,18H2,1H3,(H2,31,32,33)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351774
PNG
(US9796716, Compound 20)
Show SMILES Cn1nc(-c2ccc(Oc3cccc(OCc4ccccc4C(F)(F)F)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C26H20F3N5O2/c1-34-25-22(24(30)31-15-32-25)23(33-34)16-9-11-18(12-10-16)36-20-7-4-6-19(13-20)35-14-17-5-2-3-8-21(17)26(27,28)29/h2-13,15H,14H2,1H3,(H2,30,31,32)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351776
PNG
(US9796716, Compound 22)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cccc(COc5ccccc5C#N)c4)cc3)c12)C1CCOCC1
Show InChI InChI=1S/C30H26N6O3/c31-17-22-5-1-2-7-26(22)38-18-20-4-3-6-25(16-20)39-24-10-8-21(9-11-24)28-27-29(32)33-19-34-30(27)36(35-28)23-12-14-37-15-13-23/h1-11,16,19,23H,12-15,18H2,(H2,32,33,34)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351791
PNG
(US9796716, Compound 35)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cccc(OCc5ccccc5C#N)c4)cc3)c12)C1CCOCC1
Show InChI InChI=1S/C30H26N6O3/c31-17-21-4-1-2-5-22(21)18-38-25-6-3-7-26(16-25)39-24-10-8-20(9-11-24)28-27-29(32)33-19-34-30(27)36(35-28)23-12-14-37-15-13-23/h1-11,16,19,23H,12-15,18H2,(H2,32,33,34)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351792
PNG
(US9796716, Compound 36)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cccc(COc5ccccc5C(F)(F)F)c4)cc3)c12)C1CCOCC1
Show InChI InChI=1S/C30H26F3N5O3/c31-30(32,33)24-6-1-2-7-25(24)40-17-19-4-3-5-23(16-19)41-22-10-8-20(9-11-22)27-26-28(34)35-18-36-29(26)38(37-27)21-12-14-39-15-13-21/h1-11,16,18,21H,12-15,17H2,(H2,34,35,36)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351793
PNG
(US9796716, Compound 37)
Show SMILES Cc1ncc(COc2cccc(Oc3ccc(cc3)-c3nn(C4CCCC4)c4ncnc(N)c34)c2)s1
Show InChI InChI=1S/C27H26N6O2S/c1-17-29-14-23(36-17)15-34-21-7-4-8-22(13-21)35-20-11-9-18(10-12-20)25-24-26(28)30-16-31-27(24)33(32-25)19-5-2-3-6-19/h4,7-14,16,19H,2-3,5-6,15H2,1H3,(H2,28,30,31)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351802
PNG
(US9796716, Compound 46)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5cncs5)c4)cc3)c12)C1CCOCC1
Show InChI InChI=1S/C26H23FN6O3S/c27-17-9-20(35-13-22-12-29-15-37-22)11-21(10-17)36-19-3-1-16(2-4-19)24-23-25(28)30-14-31-26(23)33(32-24)18-5-7-34-8-6-18/h1-4,9-12,14-15,18H,5-8,13H2,(H2,28,30,31)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351812
PNG
(US9796716, Compound 57)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CCN4CCCC4)c4ncnc(N)c34)c2)s1
Show InChI InChI=1S/C28H28FN7O2S/c1-18-31-15-24(39-18)16-37-22-12-20(29)13-23(14-22)38-21-6-4-19(5-7-21)26-25-27(30)32-17-33-28(25)36(34-26)11-10-35-8-2-3-9-35/h4-7,12-15,17H,2-3,8-11,16H2,1H3,(H2,30,32,33)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351810
PNG
(US9796716, Compound 54 | US9796716, Compound 64)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C4CCOCC4)c4ncnc(N)c34)c2)s1
Show InChI InChI=1S/C27H25FN6O3S/c1-16-30-13-23(38-16)14-36-21-10-18(28)11-22(12-21)37-20-4-2-17(3-5-20)25-24-26(29)31-15-32-27(24)34(33-25)19-6-8-35-9-7-19/h2-5,10-13,15,19H,6-9,14H2,1H3,(H2,29,31,32)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351823
PNG
(US9796716, Compound 68)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5cncnc5)c4)cc3)c12)C1CCOCC1
Show InChI InChI=1S/C27H24FN7O3/c28-19-9-22(37-14-17-12-30-15-31-13-17)11-23(10-19)38-21-3-1-18(2-4-21)25-24-26(29)32-16-33-27(24)35(34-25)20-5-7-36-8-6-20/h1-4,9-13,15-16,20H,5-8,14H2,(H2,29,32,33)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351843
PNG
(US9796716, Compound 86)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(CCc5ccccn5)c4)cc3)c12)C1CCOCC1
Show InChI InChI=1S/C29H27FN6O2/c30-21-15-19(4-7-22-3-1-2-12-32-22)16-25(17-21)38-24-8-5-20(6-9-24)27-26-28(31)33-18-34-29(26)36(35-27)23-10-13-37-14-11-23/h1-3,5-6,8-9,12,15-18,23H,4,7,10-11,13-14H2,(H2,31,33,34)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351847
PNG
(US9796716, Compound 91)
Show SMILES Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C4CCOCC4)c4ncnc(N)c34)c2)c[n+]1[O-]
Show InChI InChI=1S/C29H27FN6O4/c1-18-2-3-19(15-35(18)37)16-39-24-12-21(30)13-25(14-24)40-23-6-4-20(5-7-23)27-26-28(31)32-17-33-29(26)36(34-27)22-8-10-38-11-9-22/h2-7,12-15,17,22H,8-11,16H2,1H3,(H2,31,32,33)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351864
PNG
(US9796716, Compound 109)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C(CO)CCl)c4ncnc(N)c34)c2)s1
Show InChI InChI=1S/C25H22ClFN6O3S/c1-14-29-10-21(37-14)12-35-19-6-16(27)7-20(8-19)36-18-4-2-15(3-5-18)23-22-24(28)30-13-31-25(22)33(32-23)17(9-26)11-34/h2-8,10,13,17,34H,9,11-12H2,1H3,(H2,28,30,31)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351870
PNG
(US9796716, Compound 115)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CCO)c4ncnc(N)c34)c2)n1C
Show InChI InChI=1S/C25H24FN7O3/c1-15-28-12-18(32(15)2)13-35-20-9-17(26)10-21(11-20)36-19-5-3-16(4-6-19)23-22-24(27)29-14-30-25(22)33(31-23)7-8-34/h3-6,9-12,14,34H,7-8,13H2,1-2H3,(H2,27,29,30)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351756
PNG
(US9796716, Compound 2)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cccc(OCc5ccccc5)c4)cc3)c12)C1CCCC1
Show InChI InChI=1S/C29H27N5O2/c30-28-26-27(33-34(22-9-4-5-10-22)29(26)32-19-31-28)21-13-15-23(16-14-21)36-25-12-6-11-24(17-25)35-18-20-7-2-1-3-8-20/h1-3,6-8,11-17,19,22H,4-5,9-10,18H2,(H2,30,31,32)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351758
PNG
(US9796716, Compound 4)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cccc(OCc5ccccc5)c4)cc3)c12)[C@@H]1CCCNC1
Show InChI InChI=1S/C29H28N6O2/c30-28-26-27(34-35(29(26)33-19-32-28)22-8-5-15-31-17-22)21-11-13-23(14-12-21)37-25-10-4-9-24(16-25)36-18-20-6-2-1-3-7-20/h1-4,6-7,9-14,16,19,22,31H,5,8,15,17-18H2,(H2,30,32,33)/t22-/m1/s1
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351766
PNG
(US9796716, Compound 12 | US9796716, Compound 15)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cccc(OCc5ccccc5C#N)c4)cc3)c12)C1CCCC1
Show InChI InChI=1S/C30H26N6O2/c31-17-21-6-1-2-7-22(21)18-37-25-10-5-11-26(16-25)38-24-14-12-20(13-15-24)28-27-29(32)33-19-34-30(27)36(35-28)23-8-3-4-9-23/h1-2,5-7,10-16,19,23H,3-4,8-9,18H2,(H2,32,33,34)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351770
PNG
(US9796716, Compound 16)
Show SMILES Cn1nc(-c2ccc(Oc3cccc(OCc4ccccc4)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C25H21N5O2/c1-30-25-22(24(26)27-16-28-25)23(29-30)18-10-12-19(13-11-18)32-21-9-5-8-20(14-21)31-15-17-6-3-2-4-7-17/h2-14,16H,15H2,1H3,(H2,26,27,28)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351799
PNG
(US9796716, Compound 43)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cccc(OCc5cncs5)c4)cc3)c12)C1CCNCC1
Show InChI InChI=1S/C26H25N7O2S/c27-25-23-24(32-33(26(23)31-15-30-25)18-8-10-28-11-9-18)17-4-6-19(7-5-17)35-21-3-1-2-20(12-21)34-14-22-13-29-16-36-22/h1-7,12-13,15-16,18,28H,8-11,14H2,(H2,27,30,31)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351804
PNG
(US9796716, Compound 48)
Show SMILES Cn1cncc1COc1cccc(Oc2ccc(cc2)-c2nn(C3CCOCC3)c3ncnc(N)c23)c1
Show InChI InChI=1S/C27H27N7O3/c1-33-17-29-14-20(33)15-36-22-3-2-4-23(13-22)37-21-7-5-18(6-8-21)25-24-26(28)30-16-31-27(24)34(32-25)19-9-11-35-12-10-19/h2-8,13-14,16-17,19H,9-12,15H2,1H3,(H2,28,30,31)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351810
PNG
(US9796716, Compound 54 | US9796716, Compound 64)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C4CCOCC4)c4ncnc(N)c34)c2)s1
Show InChI InChI=1S/C27H25FN6O3S/c1-16-30-13-23(38-16)14-36-21-10-18(28)11-22(12-21)37-20-4-2-17(3-5-20)25-24-26(29)31-15-32-27(24)34(33-25)19-6-8-35-9-7-19/h2-5,10-13,15,19H,6-9,14H2,1H3,(H2,29,31,32)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351821
PNG
(US9796716, Compound 66)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(CCc5ccccc5)c4)cc3)c12)C1CCOCC1
Show InChI InChI=1S/C30H28FN5O2/c31-23-16-21(7-6-20-4-2-1-3-5-20)17-26(18-23)38-25-10-8-22(9-11-25)28-27-29(32)33-19-34-30(27)36(35-28)24-12-14-37-15-13-24/h1-5,8-11,16-19,24H,6-7,12-15H2,(H2,32,33,34)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351824
PNG
(US9796716, Compound 69)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5cnccn5)c4)cc3)c12)C1CCOCC1
Show InChI InChI=1S/C27H24FN7O3/c28-18-11-22(37-15-19-14-30-7-8-31-19)13-23(12-18)38-21-3-1-17(2-4-21)25-24-26(29)32-16-33-27(24)35(34-25)20-5-9-36-10-6-20/h1-4,7-8,11-14,16,20H,5-6,9-10,15H2,(H2,29,32,33)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351834
PNG
(US9796716, Compound 77)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5cncn5C5CCCC5)c4)cc3)c12)C1CCOCC1
Show InChI InChI=1S/C31H32FN7O3/c32-21-13-26(41-17-24-16-34-19-38(24)22-3-1-2-4-22)15-27(14-21)42-25-7-5-20(6-8-25)29-28-30(33)35-18-36-31(28)39(37-29)23-9-11-40-12-10-23/h5-8,13-16,18-19,22-23H,1-4,9-12,17H2,(H2,33,35,36)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351838
PNG
(US9796716, Compound 81)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CCO)c4ncnc(N)c34)c2)s1
Show InChI InChI=1S/C24H21FN6O3S/c1-14-27-11-20(35-14)12-33-18-8-16(25)9-19(10-18)34-17-4-2-15(3-5-17)22-21-23(26)28-13-29-24(21)31(30-22)6-7-32/h2-5,8-11,13,32H,6-7,12H2,1H3,(H2,26,28,29)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351839
PNG
(US9796716, Compound 82)
Show SMILES Cn1cncc1COc1cc(F)cc(Oc2ccc(cc2)-c2nn(C3CCCC3)c3ncnc(N)c23)c1
Show InChI InChI=1S/C27H26FN7O2/c1-34-16-30-13-20(34)14-36-22-10-18(28)11-23(12-22)37-21-8-6-17(7-9-21)25-24-26(29)31-15-32-27(24)35(33-25)19-4-2-3-5-19/h6-13,15-16,19H,2-5,14H2,1H3,(H2,29,31,32)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351842
PNG
(US9796716, Compound 85)
Show SMILES CC(C)n1nc(-c2ccc(Oc3cc(F)cc(OCc4ccc(C)nc4)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C27H25FN6O2/c1-16(2)34-27-24(26(29)31-15-32-27)25(33-34)19-6-8-21(9-7-19)36-23-11-20(28)10-22(12-23)35-14-18-5-4-17(3)30-13-18/h4-13,15-16H,14H2,1-3H3,(H2,29,31,32)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351845
PNG
(US9796716, Compound 88)
Show SMILES Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CCO)c4ncnc(N)c34)c2)cn1
Show InChI InChI=1S/C26H23FN6O3/c1-16-2-3-17(13-29-16)14-35-21-10-19(27)11-22(12-21)36-20-6-4-18(5-7-20)24-23-25(28)30-15-31-26(23)33(32-24)8-9-34/h2-7,10-13,15,34H,8-9,14H2,1H3,(H2,28,30,31)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351848
PNG
(US9796716, Compound 92)
Show SMILES Cn1cncc1COc1cc(F)cc(Oc2ccc(-c3nn(C4CCCC4)c4ncnc(N)c34)c(F)c2)c1
Show InChI InChI=1S/C27H25F2N7O2/c1-35-15-31-12-18(35)13-37-20-8-16(28)9-21(10-20)38-19-6-7-22(23(29)11-19)25-24-26(30)32-14-33-27(24)36(34-25)17-4-2-3-5-17/h6-12,14-15,17H,2-5,13H2,1H3,(H2,30,32,33)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351851
PNG
(US9796716, Compound 96)
Show SMILES Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CCCO)c4ncnc(N)c34)c2)cn1
Show InChI InChI=1S/C27H25FN6O3/c1-17-3-4-18(14-30-17)15-36-22-11-20(28)12-23(13-22)37-21-7-5-19(6-8-21)25-24-26(29)31-16-32-27(24)34(33-25)9-2-10-35/h3-8,11-14,16,35H,2,9-10,15H2,1H3,(H2,29,31,32)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351859
PNG
(US9796716, Compound 104)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CCCO)c4ncnc(N)c34)c2)s1
Show InChI InChI=1S/C25H23FN6O3S/c1-15-28-12-21(36-15)13-34-19-9-17(26)10-20(11-19)35-18-5-3-16(4-6-18)23-22-24(27)29-14-30-25(22)32(31-23)7-2-8-33/h3-6,9-12,14,33H,2,7-8,13H2,1H3,(H2,27,29,30)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351861
PNG
(US9796716, Compound 106)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C4CCOCC4)c4ncnc(N)c34)c2)cn1
Show InChI InChI=1S/C28H26FN7O3/c1-17-31-13-18(14-32-17)15-38-23-10-20(29)11-24(12-23)39-22-4-2-19(3-5-22)26-25-27(30)33-16-34-28(25)36(35-26)21-6-8-37-9-7-21/h2-5,10-14,16,21H,6-9,15H2,1H3,(H2,30,33,34)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351863
PNG
(US9796716, Compound 108)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C4CCOCC4)c4ncnc(N)c34)c2)n1C
Show InChI InChI=1S/C28H28FN7O3/c1-17-31-14-21(35(17)2)15-38-23-11-19(29)12-24(13-23)39-22-5-3-18(4-6-22)26-25-27(30)32-16-33-28(25)36(34-26)20-7-9-37-10-8-20/h3-6,11-14,16,20H,7-10,15H2,1-2H3,(H2,30,32,33)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351872
PNG
(US9796716, Compound 117)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CC(C)(C)O)c4ncnc(N)c34)c2)s1
Show InChI InChI=1S/C26H25FN6O3S/c1-15-29-11-21(37-15)12-35-19-8-17(27)9-20(10-19)36-18-6-4-16(5-7-18)23-22-24(28)30-14-31-25(22)33(32-23)13-26(2,3)34/h4-11,14,34H,12-13H2,1-3H3,(H2,28,30,31)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351884
PNG
(US9796716, Compound 129)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(c4ncnc(N)c34)C(C)(C)C)c2)cn1
Show InChI InChI=1S/C27H26FN7O2/c1-16-30-12-17(13-31-16)14-36-21-9-19(28)10-22(11-21)37-20-7-5-18(6-8-20)24-23-25(29)32-15-33-26(23)35(34-24)27(2,3)4/h5-13,15H,14H2,1-4H3,(H2,29,32,33)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351885
PNG
(US9796716, Compound 130)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C(CO)CO)c4ncnc(N)c34)c2)cn1
Show InChI InChI=1S/C26H24FN7O4/c1-15-29-9-16(10-30-15)13-37-21-6-18(27)7-22(8-21)38-20-4-2-17(3-5-20)24-23-25(28)31-14-32-26(23)34(33-24)19(11-35)12-36/h2-10,14,19,35-36H,11-13H2,1H3,(H2,28,31,32)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351761
PNG
(US9796716, Compound 7)
Show SMILES CCCC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3cccc(OCc4ccccc4)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C33H34N6O3/c1-2-8-29(40)38-18-7-11-25(20-38)39-33-30(32(34)35-22-36-33)31(37-39)24-14-16-26(17-15-24)42-28-13-6-12-27(19-28)41-21-23-9-4-3-5-10-23/h3-6,9-10,12-17,19,22,25H,2,7-8,11,18,20-21H2,1H3,(H2,34,35,36)/t25-/m1/s1
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351765
PNG
(US9796716, Compound 11)
Show SMILES COc1ccc(COc2cccc(Oc3ccc(cc3)-c3nn(C4CCCC4)c4ncnc(N)c34)c2)cc1
Show InChI InChI=1S/C30H29N5O3/c1-36-23-13-9-20(10-14-23)18-37-25-7-4-8-26(17-25)38-24-15-11-21(12-16-24)28-27-29(31)32-19-33-30(27)35(34-28)22-5-2-3-6-22/h4,7-17,19,22H,2-3,5-6,18H2,1H3,(H2,31,32,33)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351777
PNG
(US9796716, Compound 23)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cccc(OCc5ccccc5C(F)(F)F)c4)cc3)c12)C1CCOCC1
Show InChI InChI=1S/C30H26F3N5O3/c31-30(32,33)25-7-2-1-4-20(25)17-40-23-5-3-6-24(16-23)41-22-10-8-19(9-11-22)27-26-28(34)35-18-36-29(26)38(37-27)21-12-14-39-15-13-21/h1-11,16,18,21H,12-15,17H2,(H2,34,35,36)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351787
PNG
(US9796716, Compound 31)
Show SMILES Cn1nc(-c2ccc(Oc3cccc(COc4ccccc4C(F)(F)F)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C26H20F3N5O2/c1-34-25-22(24(30)31-15-32-25)23(33-34)17-9-11-18(12-10-17)36-19-6-4-5-16(13-19)14-35-21-8-3-2-7-20(21)26(27,28)29/h2-13,15H,14H2,1H3,(H2,30,31,32)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351789
PNG
(US9796716, Compound 33)
Show SMILES CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3cccc(COc4ccccc4C(F)(F)F)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C32H29F3N6O3/c1-20(42)40-15-5-7-23(17-40)41-31-28(30(36)37-19-38-31)29(39-41)22-11-13-24(14-12-22)44-25-8-4-6-21(16-25)18-43-27-10-3-2-9-26(27)32(33,34)35/h2-4,6,8-14,16,19,23H,5,7,15,17-18H2,1H3,(H2,36,37,38)/t23-/m1/s1
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351798
PNG
(US9796716, Compound 42)
Show SMILES Nc1ncnc2n(CCc3ccccc3)nc(-c3ccc(Oc4cccc(OCc5cncs5)c4)cc3)c12
Show InChI InChI=1S/C29H24N6O2S/c30-28-26-27(34-35(29(26)33-18-32-28)14-13-20-5-2-1-3-6-20)21-9-11-22(12-10-21)37-24-8-4-7-23(15-24)36-17-25-16-31-19-38-25/h1-12,15-16,18-19H,13-14,17H2,(H2,30,32,33)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351807
PNG
(US9796716, Compound 51)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cccc(OCc5cncs5)c4)cc3)c12)C1CCCNC1
Show InChI InChI=1S/C26H25N7O2S/c27-25-23-24(32-33(26(23)31-15-30-25)18-3-2-10-28-12-18)17-6-8-19(9-7-17)35-21-5-1-4-20(11-21)34-14-22-13-29-16-36-22/h1,4-9,11,13,15-16,18,28H,2-3,10,12,14H2,(H2,27,30,31)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351809
PNG
(US9796716, Compound 53)
Show SMILES Nc1ncnc2n(CCCN3CCOCC3)nc(-c3ccc(Oc4cccc(OCc5cncs5)c4)cc3)c12
Show InChI InChI=1S/C28H29N7O3S/c29-27-25-26(33-35(28(25)32-18-31-27)10-2-9-34-11-13-36-14-12-34)20-5-7-21(8-6-20)38-23-4-1-3-22(15-23)37-17-24-16-30-19-39-24/h1,3-8,15-16,18-19H,2,9-14,17H2,(H2,29,31,32)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351811
PNG
(US9796716, Compound 55)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CCCN4CCOCC4)c4ncnc(N)c34)c2)s1
Show InChI InChI=1S/C29H30FN7O3S/c1-19-32-16-25(41-19)17-39-23-13-21(30)14-24(15-23)40-22-5-3-20(4-6-22)27-26-28(31)33-18-34-29(26)37(35-27)8-2-7-36-9-11-38-12-10-36/h3-6,13-16,18H,2,7-12,17H2,1H3,(H2,31,33,34)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351816
PNG
(US9796716, Compound 61)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C)c4ncnc(N)c34)c2)s1
Show InChI InChI=1S/C23H19FN6O2S/c1-13-26-10-19(33-13)11-31-17-7-15(24)8-18(9-17)32-16-5-3-14(4-6-16)21-20-22(25)27-12-28-23(20)30(2)29-21/h3-10,12H,11H2,1-2H3,(H2,25,27,28)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351817
PNG
(US9796716, Compound 62)
Show SMILES Cc1ncc(COc2cccc(Oc3ccc(cc3F)-c3nn(C4CCOCC4)c4ncnc(N)c34)c2)s1
Show InChI InChI=1S/C27H25FN6O3S/c1-16-30-13-21(38-16)14-36-19-3-2-4-20(12-19)37-23-6-5-17(11-22(23)28)25-24-26(29)31-15-32-27(24)34(33-25)18-7-9-35-10-8-18/h2-6,11-13,15,18H,7-10,14H2,1H3,(H2,29,31,32)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351826
PNG
(US9796716, Compound 71 | US9796716, Compound 75)
Show SMILES Cn1cncc1COc1cc(F)cc(Oc2ccc(cc2)-c2nn(C3CCOCC3)c3ncnc(N)c23)c1
Show InChI InChI=1S/C27H26FN7O3/c1-34-16-30-13-20(34)14-37-22-10-18(28)11-23(12-22)38-21-4-2-17(3-5-21)25-24-26(29)31-15-32-27(24)35(33-25)19-6-8-36-9-7-19/h2-5,10-13,15-16,19H,6-9,14H2,1H3,(H2,29,31,32)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351854
PNG
(US9796716, Compound 99)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5cncn5CCO)c4)cc3)c12)C1CCOCC1
Show InChI InChI=1S/C28H28FN7O4/c29-19-11-23(39-15-21-14-31-17-35(21)7-8-37)13-24(12-19)40-22-3-1-18(2-4-22)26-25-27(30)32-16-33-28(25)36(34-26)20-5-9-38-10-6-20/h1-4,11-14,16-17,20,37H,5-10,15H2,(H2,30,32,33)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351858
PNG
(US9796716, Compound 103)
Show SMILES Cn1cncc1COc1cc(F)cc(Oc2ccc(cc2)-c2nn(C3CCCCC3)c3ncnc(N)c23)c1
Show InChI InChI=1S/C28H28FN7O2/c1-35-17-31-14-21(35)15-37-23-11-19(29)12-24(13-23)38-22-9-7-18(8-10-22)26-25-27(30)32-16-33-28(25)36(34-26)20-5-3-2-4-6-20/h7-14,16-17,20H,2-6,15H2,1H3,(H2,30,32,33)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351867
PNG
(US9796716, Compound 112)
Show SMILES Cn1cncc1COc1cc(F)cc(Oc2ccc(cc2)-c2nn(CC(C)(C)O)c3ncnc(N)c23)c1
Show InChI InChI=1S/C26H26FN7O3/c1-26(2,35)13-34-25-22(24(28)30-14-31-25)23(32-34)16-4-6-19(7-5-16)37-21-9-17(27)8-20(10-21)36-12-18-11-29-15-33(18)3/h4-11,14-15,35H,12-13H2,1-3H3,(H2,28,30,31)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351869
PNG
(US9796716, Compound 114)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CCCO)c4ncnc(N)c34)c2)cn1
Show InChI InChI=1S/C26H24FN7O3/c1-16-29-12-17(13-30-16)14-36-21-9-19(27)10-22(11-21)37-20-5-3-18(4-6-20)24-23-25(28)31-15-32-26(23)34(33-24)7-2-8-35/h3-6,9-13,15,35H,2,7-8,14H2,1H3,(H2,28,31,32)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351875
PNG
(US9796716, Compound 120)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C4CCCC4)c4ncnc(N)c34)c2)n1C
Show InChI InChI=1S/C28H28FN7O2/c1-17-31-14-21(35(17)2)15-37-23-11-19(29)12-24(13-23)38-22-9-7-18(8-10-22)26-25-27(30)32-16-33-28(25)36(34-26)20-5-3-4-6-20/h7-14,16,20H,3-6,15H2,1-2H3,(H2,30,32,33)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351877
PNG
(US9796716, Compound 122)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CC(C)(C)O)c4ncnc(N)c34)c2)cn1
Show InChI InChI=1S/C27H26FN7O3/c1-16-30-11-17(12-31-16)13-37-21-8-19(28)9-22(10-21)38-20-6-4-18(5-7-20)24-23-25(29)32-15-33-26(23)35(34-24)14-27(2,3)36/h4-12,15,36H,13-14H2,1-3H3,(H2,29,32,33)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351759
PNG
(US9796716, Compound 5)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cccc(OCc5ccccc5)c4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C32H30N6O3/c1-2-28(39)37-17-7-10-24(19-37)38-32-29(31(33)34-21-35-32)30(36-38)23-13-15-25(16-14-23)41-27-12-6-11-26(18-27)40-20-22-8-4-3-5-9-22/h2-6,8-9,11-16,18,21,24H,1,7,10,17,19-20H2,(H2,33,34,35)/t24-/m1/s1
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351762
PNG
(US9796716, Compound 8)
Show SMILES CC(C)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3cccc(OCc4ccccc4)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C33H34N6O3/c1-22(2)33(40)38-17-7-10-25(19-38)39-32-29(31(34)35-21-36-32)30(37-39)24-13-15-26(16-14-24)42-28-12-6-11-27(18-28)41-20-23-8-4-3-5-9-23/h3-6,8-9,11-16,18,21-22,25H,7,10,17,19-20H2,1-2H3,(H2,34,35,36)/t25-/m1/s1
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351763
PNG
(US9796716, Compound 9)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cccc(OCc5ccc(Cl)cc5)c4)cc3)c12)C1CCCC1
Show InChI InChI=1S/C29H26ClN5O2/c30-21-12-8-19(9-13-21)17-36-24-6-3-7-25(16-24)37-23-14-10-20(11-15-23)27-26-28(31)32-18-33-29(26)35(34-27)22-4-1-2-5-22/h3,6-16,18,22H,1-2,4-5,17H2,(H2,31,32,33)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351775
PNG
(US9796716, Compound 21)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cccc(OCc5ccccc5)c4)cc3)c12)C1CCOCC1
Show InChI InChI=1S/C29H27N5O3/c30-28-26-27(33-34(29(26)32-19-31-28)22-13-15-35-16-14-22)21-9-11-23(12-10-21)37-25-8-4-7-24(17-25)36-18-20-5-2-1-3-6-20/h1-12,17,19,22H,13-16,18H2,(H2,30,31,32)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351785
PNG
(US9796716, Compound 29)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cccc(OCc5ccccc5C(F)(F)F)c4)cc3)c12)C1CCCC1
Show InChI InChI=1S/C30H26F3N5O2/c31-30(32,33)25-11-4-1-6-20(25)17-39-23-9-5-10-24(16-23)40-22-14-12-19(13-15-22)27-26-28(34)35-18-36-29(26)38(37-27)21-7-2-3-8-21/h1,4-6,9-16,18,21H,2-3,7-8,17H2,(H2,34,35,36)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351825
PNG
(US9796716, Compound 70)
Show SMILES Cc1ncc(COc2cccc(Oc3ccc(-c4nn(C5CCOCC5)c5ncnc(N)c45)c(F)c3)c2)s1
Show InChI InChI=1S/C27H25FN6O3S/c1-16-30-13-21(38-16)14-36-18-3-2-4-19(11-18)37-20-5-6-22(23(28)12-20)25-24-26(29)31-15-32-27(24)34(33-25)17-7-9-35-10-8-17/h2-6,11-13,15,17H,7-10,14H2,1H3,(H2,29,31,32)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351840
PNG
(US9796716, Compound 83)
Show SMILES COCCn1cncc1COc1cc(F)cc(Oc2ccc(cc2)-c2nn(C3CCOCC3)c3ncnc(N)c23)c1
Show InChI InChI=1S/C29H30FN7O4/c1-38-11-8-36-18-32-15-22(36)16-40-24-12-20(30)13-25(14-24)41-23-4-2-19(3-5-23)27-26-28(31)33-17-34-29(26)37(35-27)21-6-9-39-10-7-21/h2-5,12-15,17-18,21H,6-11,16H2,1H3,(H2,31,33,34)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351844
PNG
(US9796716, Compound 87)
Show SMILES CCn1cncc1COc1cc(F)cc(Oc2ccc(cc2)-c2nn(C3CCOCC3)c3ncnc(N)c23)c1
Show InChI InChI=1S/C28H28FN7O3/c1-2-35-17-31-14-21(35)15-38-23-11-19(29)12-24(13-23)39-22-5-3-18(4-6-22)26-25-27(30)32-16-33-28(25)36(34-26)20-7-9-37-10-8-20/h3-6,11-14,16-17,20H,2,7-10,15H2,1H3,(H2,30,32,33)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351853
PNG
(US9796716, Compound 98)
Show SMILES CC(C)n1nc(-c2ccc(Oc3cc(F)cc(OCc4cncn4C)c3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C25H23F2N7O2/c1-14(2)34-25-22(24(28)30-12-31-25)23(32-34)20-5-4-17(9-21(20)27)36-19-7-15(26)6-18(8-19)35-11-16-10-29-13-33(16)3/h4-10,12-14H,11H2,1-3H3,(H2,28,30,31)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351857
PNG
(US9796716, Compound 102)
Show SMILES CC(C)n1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)nc4)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C26H24FN7O2/c1-15(2)34-26-23(25(28)31-14-32-26)24(33-34)18-4-6-20(7-5-18)36-22-9-19(27)8-21(10-22)35-13-17-11-29-16(3)30-12-17/h4-12,14-15H,13H2,1-3H3,(H2,28,31,32)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351860
PNG
(US9796716, Compound 105)
Show SMILES Cn1cncc1COc1cc(F)cc(Oc2ccc(-c3nn(CCO)c4ncnc(N)c34)c(F)c2)c1
Show InChI InChI=1S/C24H21F2N7O3/c1-32-13-28-10-15(32)11-35-17-6-14(25)7-18(8-17)36-16-2-3-19(20(26)9-16)22-21-23(27)29-12-30-24(21)33(31-22)4-5-34/h2-3,6-10,12-13,34H,4-5,11H2,1H3,(H2,27,29,30)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351881
PNG
(US9796716, Compound 126)
Show SMILES Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CC4(C)COC4)c4ncnc(N)c34)c2)cn1
Show InChI InChI=1S/C29H27FN6O3/c1-18-3-4-19(12-32-18)13-38-23-9-21(30)10-24(11-23)39-22-7-5-20(6-8-22)26-25-27(31)33-17-34-28(25)36(35-26)14-29(2)15-37-16-29/h3-12,17H,13-16H2,1-2H3,(H2,31,33,34)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351883
PNG
(US9796716, Compound 128)
Show SMILES CC(C)n1nc(-c2ccc(Oc3cc(F)cc(OCc4ccc(CO)nc4)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C27H25FN6O3/c1-16(2)34-27-24(26(29)31-15-32-27)25(33-34)18-4-7-21(8-5-18)37-23-10-19(28)9-22(11-23)36-14-17-3-6-20(13-35)30-12-17/h3-12,15-16,35H,13-14H2,1-2H3,(H2,29,31,32)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351757
PNG
(US9796716, Compound 3)
Show SMILES CC(C)(C)OC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3cccc(OCc4ccccc4)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C34H36N6O4/c1-34(2,3)44-33(41)39-18-8-11-25(20-39)40-32-29(31(35)36-22-37-32)30(38-40)24-14-16-26(17-15-24)43-28-13-7-12-27(19-28)42-21-23-9-5-4-6-10-23/h4-7,9-10,12-17,19,22,25H,8,11,18,20-21H2,1-3H3,(H2,35,36,37)/t25-/m1/s1
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PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351760
PNG
(US9796716, Compound 6)
Show SMILES CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3cccc(OCc4ccccc4)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C31H30N6O3/c1-21(38)36-16-6-9-24(18-36)37-31-28(30(32)33-20-34-31)29(35-37)23-12-14-25(15-13-23)40-27-11-5-10-26(17-27)39-19-22-7-3-2-4-8-22/h2-5,7-8,10-15,17,20,24H,6,9,16,18-19H2,1H3,(H2,32,33,34)/t24-/m1/s1
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351767
PNG
(US9796716, Compound 13)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cccc(COc5ccccc5)c4)cc3)c12)C1CCCC1
Show InChI InChI=1S/C29H27N5O2/c30-28-26-27(33-34(22-8-4-5-9-22)29(26)32-19-31-28)21-13-15-24(16-14-21)36-25-12-6-7-20(17-25)18-35-23-10-2-1-3-11-23/h1-3,6-7,10-17,19,22H,4-5,8-9,18H2,(H2,30,31,32)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351778
PNG
(US9796716, Compound 24)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cccc(OCc5cncs5)c4)cc3)c12)C1CCOCC1
Show InChI InChI=1S/C26H24N6O3S/c27-25-23-24(31-32(26(23)30-15-29-25)18-8-10-33-11-9-18)17-4-6-19(7-5-17)35-21-3-1-2-20(12-21)34-14-22-13-28-16-36-22/h1-7,12-13,15-16,18H,8-11,14H2,(H2,27,29,30)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351786
PNG
(US9796716, Compound 30)
Show SMILES Cn1nc(-c2ccc(Oc3cccc(OCc4ccccc4C#N)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C26H20N6O2/c1-32-26-23(25(28)29-16-30-26)24(31-32)17-9-11-20(12-10-17)34-22-8-4-7-21(13-22)33-15-19-6-3-2-5-18(19)14-27/h2-13,16H,15H2,1H3,(H2,28,29,30)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351794
PNG
(US9796716, Compound 38)
Show SMILES Cc1ncc(COc2cccc(Oc3ccc(cc3)-c3nn(C4CCOCC4)c4ncnc(N)c34)c2)s1
Show InChI InChI=1S/C27H26N6O3S/c1-17-29-14-23(37-17)15-35-21-3-2-4-22(13-21)36-20-7-5-18(6-8-20)25-24-26(28)30-16-31-27(24)33(32-25)19-9-11-34-12-10-19/h2-8,13-14,16,19H,9-12,15H2,1H3,(H2,28,30,31)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351795
PNG
(US9796716, Compound 39)
Show SMILES Nc1ncnc2n(CCN3CCCC3)nc(-c3ccc(Oc4cccc(OCc5cncs5)c4)cc3)c12
Show InChI InChI=1S/C27H27N7O2S/c28-26-24-25(32-34(27(24)31-17-30-26)13-12-33-10-1-2-11-33)19-6-8-20(9-7-19)36-22-5-3-4-21(14-22)35-16-23-15-29-18-37-23/h3-9,14-15,17-18H,1-2,10-13,16H2,(H2,28,30,31)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351813
PNG
(US9796716, Compound 58)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C4CCCC4)c4ncnc(N)c34)c2)s1
Show InChI InChI=1S/C27H25FN6O2S/c1-16-30-13-23(37-16)14-35-21-10-18(28)11-22(12-21)36-20-8-6-17(7-9-20)25-24-26(29)31-15-32-27(24)34(33-25)19-4-2-3-5-19/h6-13,15,19H,2-5,14H2,1H3,(H2,29,31,32)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351820
PNG
(US9796716, Compound 65)
Show SMILES Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C4CCOCC4)c4ncnc(N)c34)c2)cn1
Show InChI InChI=1S/C29H27FN6O3/c1-18-2-3-19(15-32-18)16-38-24-12-21(30)13-25(14-24)39-23-6-4-20(5-7-23)27-26-28(31)33-17-34-29(26)36(35-27)22-8-10-37-11-9-22/h2-7,12-15,17,22H,8-11,16H2,1H3,(H2,31,33,34)
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PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351822
PNG
(US9796716, Compound 67)
Show SMILES Cn1cncc1CCc1cc(F)cc(Oc2ccc(cc2)-c2nn(C3CCOCC3)c3ncnc(N)c23)c1
Show InChI InChI=1S/C28H28FN7O2/c1-35-17-31-15-22(35)5-2-18-12-20(29)14-24(13-18)38-23-6-3-19(4-7-23)26-25-27(30)32-16-33-28(25)36(34-26)21-8-10-37-11-9-21/h3-4,6-7,12-17,21H,2,5,8-11H2,1H3,(H2,30,32,33)
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PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351837
PNG
(US9796716, Compound 80)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(CCc5cccnc5)c4)cc3)c12)C1CCOCC1
Show InChI InChI=1S/C29H27FN6O2/c30-22-14-20(4-3-19-2-1-11-32-17-19)15-25(16-22)38-24-7-5-21(6-8-24)27-26-28(31)33-18-34-29(26)36(35-27)23-9-12-37-13-10-23/h1-2,5-8,11,14-18,23H,3-4,9-10,12-13H2,(H2,31,33,34)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351865
PNG
(US9796716, Compound 110)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CCO)c4ncnc(N)c34)c2)cn1
Show InChI InChI=1S/C25H22FN7O3/c1-15-28-11-16(12-29-15)13-35-20-8-18(26)9-21(10-20)36-19-4-2-17(3-5-19)23-22-24(27)30-14-31-25(22)33(32-23)6-7-34/h2-5,8-12,14,34H,6-7,13H2,1H3,(H2,27,30,31)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351868
PNG
(US9796716, Compound 113)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C4COC4)c4ncnc(N)c34)c2)s1
Show InChI InChI=1S/C25H21FN6O3S/c1-14-28-9-21(36-14)12-34-19-6-16(26)7-20(8-19)35-18-4-2-15(3-5-18)23-22-24(27)29-13-30-25(22)32(31-23)17-10-33-11-17/h2-9,13,17H,10-12H2,1H3,(H2,27,29,30)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351878
PNG
(US9796716, Compound 123)
Show SMILES CC(C)n1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)n4C)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C26H26FN7O2/c1-15(2)34-26-23(25(28)30-14-31-26)24(32-34)17-5-7-20(8-6-17)36-22-10-18(27)9-21(11-22)35-13-19-12-29-16(3)33(19)4/h5-12,14-15H,13H2,1-4H3,(H2,28,30,31)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351818
PNG
(US9796716, Compound 63)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5ccccc5)c4)cc3)c12)C1CCOCC1
Show InChI InChI=1S/C29H26FN5O3/c30-21-14-24(37-17-19-4-2-1-3-5-19)16-25(15-21)38-23-8-6-20(7-9-23)27-26-28(31)32-18-33-29(26)35(34-27)22-10-12-36-13-11-22/h1-9,14-16,18,22H,10-13,17H2,(H2,31,32,33)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351766
PNG
(US9796716, Compound 12 | US9796716, Compound 15)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cccc(OCc5ccccc5C#N)c4)cc3)c12)C1CCCC1
Show InChI InChI=1S/C30H26N6O2/c31-17-21-6-1-2-7-22(21)18-37-25-10-5-11-26(16-25)38-24-14-12-20(13-15-24)28-27-29(32)33-19-34-30(27)36(35-28)23-8-3-4-9-23/h1-2,5-7,10-16,19,23H,3-4,8-9,18H2,(H2,32,33,34)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351773
PNG
(US9796716, Compound 19)
Show SMILES Cn1nc(-c2ccc(Oc3cccc(OCc4cncs4)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C22H18N6O2S/c1-28-22-19(21(23)25-12-26-22)20(27-28)14-5-7-15(8-6-14)30-17-4-2-3-16(9-17)29-11-18-10-24-13-31-18/h2-10,12-13H,11H2,1H3,(H2,23,25,26)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351782
PNG
(US9796716, Compound 26)
Show SMILES CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3cccc(OCc4ccccc4C(F)(F)F)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C32H29F3N6O3/c1-20(42)40-15-5-7-23(17-40)41-31-28(30(36)37-19-38-31)29(39-41)21-11-13-24(14-12-21)44-26-9-4-8-25(16-26)43-18-22-6-2-3-10-27(22)32(33,34)35/h2-4,6,8-14,16,19,23H,5,7,15,17-18H2,1H3,(H2,36,37,38)/t23-/m1/s1
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351784
PNG
(US9796716, Compound 28)
Show SMILES CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3cccc(OCc4ccccc4C#N)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C32H29N7O3/c1-21(40)38-15-5-8-25(18-38)39-32-29(31(34)35-20-36-32)30(37-39)22-11-13-26(14-12-22)42-28-10-4-9-27(16-28)41-19-24-7-3-2-6-23(24)17-33/h2-4,6-7,9-14,16,20,25H,5,8,15,18-19H2,1H3,(H2,34,35,36)/t25-/m1/s1
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351800
PNG
(US9796716, Compound 44)
Show SMILES Nc1ncnc2n(CCN3CCOCC3)nc(-c3ccc(Oc4cccc(OCc5cncs5)c4)cc3)c12
Show InChI InChI=1S/C27H27N7O3S/c28-26-24-25(32-34(27(24)31-17-30-26)9-8-33-10-12-35-13-11-33)19-4-6-20(7-5-19)37-22-3-1-2-21(14-22)36-16-23-15-29-18-38-23/h1-7,14-15,17-18H,8-13,16H2,(H2,28,30,31)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351803
PNG
(US9796716, Compound 47)
Show SMILES CC(=O)N1CCC(CC1)n1nc(-c2ccc(Oc3cccc(OCc4cncs4)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C28H27N7O3S/c1-18(36)34-11-9-20(10-12-34)35-28-25(27(29)31-16-32-28)26(33-35)19-5-7-21(8-6-19)38-23-4-2-3-22(13-23)37-15-24-14-30-17-39-24/h2-8,13-14,16-17,20H,9-12,15H2,1H3,(H2,29,31,32)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351805
PNG
(US9796716, Compound 49)
Show SMILES CC(C)(C)OC(=O)N1CCCC(C1)n1nc(-c2ccc(Oc3cccc(OCc4cncs4)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C31H33N7O4S/c1-31(2,3)42-30(39)37-13-5-6-21(16-37)38-29-26(28(32)34-18-35-29)27(36-38)20-9-11-22(12-10-20)41-24-8-4-7-23(14-24)40-17-25-15-33-19-43-25/h4,7-12,14-15,18-19,21H,5-6,13,16-17H2,1-3H3,(H2,32,34,35)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351806
PNG
(US9796716, Compound 50)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5cncs5)c4)cc3)c12)C1CCCC1
Show InChI InChI=1S/C26H23FN6O2S/c27-17-9-20(34-13-22-12-29-15-36-22)11-21(10-17)35-19-7-5-16(6-8-19)24-23-25(28)30-14-31-26(23)33(32-24)18-3-1-2-4-18/h5-12,14-15,18H,1-4,13H2,(H2,28,30,31)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351829
PNG
(US9796716, Compound 73)
Show SMILES Cn1cncc1COc1cc(F)cc(Oc2ccc(-c3nn(C4CCOCC4)c4ncnc(N)c34)c(F)c2)c1
Show InChI InChI=1S/C27H25F2N7O3/c1-35-15-31-12-18(35)13-38-20-8-16(28)9-21(10-20)39-19-2-3-22(23(29)11-19)25-24-26(30)32-14-33-27(24)36(34-25)17-4-6-37-7-5-17/h2-3,8-12,14-15,17H,4-7,13H2,1H3,(H2,30,32,33)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351831
PNG
(US9796716, Compound 74)
Show SMILES CC(C)Cn1cncc1COc1cc(F)cc(Oc2ccc(cc2)-c2nn(C3CCOCC3)c3ncnc(N)c23)c1
Show InChI InChI=1S/C30H32FN7O3/c1-19(2)15-37-18-33-14-23(37)16-40-25-11-21(31)12-26(13-25)41-24-5-3-20(4-6-24)28-27-29(32)34-17-35-30(27)38(36-28)22-7-9-39-10-8-22/h3-6,11-14,17-19,22H,7-10,15-16H2,1-2H3,(H2,32,34,35)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351826
PNG
(US9796716, Compound 71 | US9796716, Compound 75)
Show SMILES Cn1cncc1COc1cc(F)cc(Oc2ccc(cc2)-c2nn(C3CCOCC3)c3ncnc(N)c23)c1
Show InChI InChI=1S/C27H26FN7O3/c1-34-16-30-13-20(34)14-37-22-10-18(28)11-23(12-22)38-21-4-2-17(3-5-21)25-24-26(29)31-15-32-27(24)35(33-25)19-6-8-36-9-7-19/h2-5,10-13,15-16,19H,6-9,14H2,1H3,(H2,29,31,32)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351836
PNG
(US9796716, Compound 79)
Show SMILES CC(C)n1nc(-c2ccc(Oc3cc(F)cc(OCc4cncn4C)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C25H24FN7O2/c1-15(2)33-25-22(24(27)29-13-30-25)23(31-33)16-4-6-19(7-5-16)35-21-9-17(26)8-20(10-21)34-12-18-11-28-14-32(18)3/h4-11,13-15H,12H2,1-3H3,(H2,27,29,30)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351841
PNG
(US9796716, Compound 84)
Show SMILES Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C4CCCC4)c4ncnc(N)c34)c2)cn1
Show InChI InChI=1S/C29H27FN6O2/c1-18-6-7-19(15-32-18)16-37-24-12-21(30)13-25(14-24)38-23-10-8-20(9-11-23)27-26-28(31)33-17-34-29(26)36(35-27)22-4-2-3-5-22/h6-15,17,22H,2-5,16H2,1H3,(H2,31,33,34)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351846
PNG
(US9796716, Compound 90)
Show SMILES Cn1cncc1COc1cc(F)cc(Oc2ccc(cc2)-c2nn(CCO)c3ncnc(N)c23)c1
Show InChI InChI=1S/C24H22FN7O3/c1-31-14-27-11-17(31)12-34-19-8-16(25)9-20(10-19)35-18-4-2-15(3-5-18)22-21-23(26)28-13-29-24(21)32(30-22)6-7-33/h2-5,8-11,13-14,33H,6-7,12H2,1H3,(H2,26,28,29)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351856
PNG
(US9796716, Compound 101)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5ccc(CO)nc5)c4)cc3)c12)C1CCOCC1
Show InChI InChI=1S/C29H27FN6O4/c30-20-11-24(39-16-18-1-4-21(15-37)32-14-18)13-25(12-20)40-23-5-2-19(3-6-23)27-26-28(31)33-17-34-29(26)36(35-27)22-7-9-38-10-8-22/h1-6,11-14,17,22,37H,7-10,15-16H2,(H2,31,33,34)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351862
PNG
(US9796716, Compound 107)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C4CCCC4)c4ncnc(N)c34)c2)cn1
Show InChI InChI=1S/C28H26FN7O2/c1-17-31-13-18(14-32-17)15-37-23-10-20(29)11-24(12-23)38-22-8-6-19(7-9-22)26-25-27(30)33-16-34-28(25)36(35-26)21-4-2-3-5-21/h6-14,16,21H,2-5,15H2,1H3,(H2,30,33,34)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351771
PNG
(US9796716, Compound 17)
Show SMILES Cn1nc(-c2ccc(Oc3cccc(COc4ccccc4C#N)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C26H20N6O2/c1-32-26-23(25(28)29-16-30-26)24(31-32)18-9-11-20(12-10-18)34-21-7-4-5-17(13-21)15-33-22-8-3-2-6-19(22)14-27/h2-13,16H,15H2,1H3,(H2,28,29,30)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351772
PNG
(US9796716, Compound 18)
Show SMILES Cc1ncc(COc2cccc(Oc3ccc(cc3)-c3nn(C)c4ncnc(N)c34)c2)s1
Show InChI InChI=1S/C23H20N6O2S/c1-14-25-11-19(32-14)12-30-17-4-3-5-18(10-17)31-16-8-6-15(7-9-16)21-20-22(24)26-13-27-23(20)29(2)28-21/h3-11,13H,12H2,1-2H3,(H2,24,26,27)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351780
PNG
(US9796716, Compound 25)
Show SMILES CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3cccc(COc4ccccc4C#N)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C32H29N7O3/c1-21(40)38-15-5-8-25(18-38)39-32-29(31(34)35-20-36-32)30(37-39)23-11-13-26(14-12-23)42-27-9-4-6-22(16-27)19-41-28-10-3-2-7-24(28)17-33/h2-4,6-7,9-14,16,20,25H,5,8,15,18-19H2,1H3,(H2,34,35,36)/t25-/m1/s1
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351790
PNG
(US9796716, Compound 34)
Show SMILES CN(C)CCn1nc(-c2ccc(Oc3cccc(OCc4cncs4)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C25H25N7O2S/c1-31(2)10-11-32-25-22(24(26)28-15-29-25)23(30-32)17-6-8-18(9-7-17)34-20-5-3-4-19(12-20)33-14-21-13-27-16-35-21/h3-9,12-13,15-16H,10-11,14H2,1-2H3,(H2,26,28,29)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351796
PNG
(US9796716, Compound 40)
Show SMILES CN1CCN(CCn2nc(-c3ccc(Oc4cccc(OCc5cncs5)c4)cc3)c3c(N)ncnc23)CC1
Show InChI InChI=1S/C28H30N8O2S/c1-34-9-11-35(12-10-34)13-14-36-28-25(27(29)31-18-32-28)26(33-36)20-5-7-21(8-6-20)38-23-4-2-3-22(15-23)37-17-24-16-30-19-39-24/h2-8,15-16,18-19H,9-14,17H2,1H3,(H2,29,31,32)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351797
PNG
(US9796716, Compound 41)
Show SMILES Nc1ncnc2n(CCc3ccncc3)nc(-c3ccc(Oc4cccc(OCc5cncs5)c4)cc3)c12
Show InChI InChI=1S/C28H23N7O2S/c29-27-25-26(34-35(28(25)33-17-32-27)13-10-19-8-11-30-12-9-19)20-4-6-21(7-5-20)37-23-3-1-2-22(14-23)36-16-24-15-31-18-38-24/h1-9,11-12,14-15,17-18H,10,13,16H2,(H2,29,32,33)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351808
PNG
(US9796716, Compound 52)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CCN4CCOCC4)c4ncnc(N)c34)c2)s1
Show InChI InChI=1S/C28H28FN7O3S/c1-18-31-15-24(40-18)16-38-22-12-20(29)13-23(14-22)39-21-4-2-19(3-5-21)26-25-27(30)32-17-33-28(25)36(34-26)7-6-35-8-10-37-11-9-35/h2-5,12-15,17H,6-11,16H2,1H3,(H2,30,32,33)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351815
PNG
(US9796716, Compound 60)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(-c4nn(C5CCOCC5)c5ncnc(N)c45)c(F)c3)c2)s1
Show InChI InChI=1S/C27H24F2N6O3S/c1-15-31-12-21(39-15)13-37-19-8-16(28)9-20(10-19)38-18-2-3-22(23(29)11-18)25-24-26(30)32-14-33-27(24)35(34-25)17-4-6-36-7-5-17/h2-3,8-12,14,17H,4-7,13H2,1H3,(H2,30,32,33)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351850
PNG
(US9796716, Compound 95)
Show SMILES Cc1ccc(COc2cc(F)cc(Oc3ccc(-c4nn(C5CCOCC5)c5ncnc(N)c45)c(F)c3)c2)cn1
Show InChI InChI=1S/C29H26F2N6O3/c1-17-2-3-18(14-33-17)15-39-22-10-19(30)11-23(12-22)40-21-4-5-24(25(31)13-21)27-26-28(32)34-16-35-29(26)37(36-27)20-6-8-38-9-7-20/h2-5,10-14,16,20H,6-9,15H2,1H3,(H2,32,34,35)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351866
PNG
(US9796716, Compound 111)
Show SMILES Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CC(C)(C)O)c4ncnc(N)c34)c2)cn1
Show InChI InChI=1S/C28H27FN6O3/c1-17-4-5-18(13-31-17)14-37-22-10-20(29)11-23(12-22)38-21-8-6-19(7-9-21)25-24-26(30)32-16-33-27(24)35(34-25)15-28(2,3)36/h4-13,16,36H,14-15H2,1-3H3,(H2,30,32,33)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351871
PNG
(US9796716, Compound 116)
Show SMILES Cn1cncc1COc1cc(F)cc(Oc2ccc(cc2)-c2nn(CCCO)c3ncnc(N)c23)c1
Show InChI InChI=1S/C25H24FN7O3/c1-32-15-28-12-18(32)13-35-20-9-17(26)10-21(11-20)36-19-5-3-16(4-6-19)23-22-24(27)29-14-30-25(22)33(31-23)7-2-8-34/h3-6,9-12,14-15,34H,2,7-8,13H2,1H3,(H2,27,29,30)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351874
PNG
(US9796716, Compound 119)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CC4(C)COC4)c4ncnc(N)c34)c2)cn1
Show InChI InChI=1S/C28H26FN7O3/c1-17-31-10-18(11-32-17)12-38-22-7-20(29)8-23(9-22)39-21-5-3-19(4-6-21)25-24-26(30)33-16-34-27(24)36(35-25)13-28(2)14-37-15-28/h3-11,16H,12-15H2,1-2H3,(H2,30,33,34)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351879
PNG
(US9796716, Compound 124)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CC4(C)COC4)c4ncnc(N)c34)c2)n1C
Show InChI InChI=1S/C28H28FN7O3/c1-17-31-11-20(35(17)3)12-38-22-8-19(29)9-23(10-22)39-21-6-4-18(5-7-21)25-24-26(30)32-16-33-27(24)36(34-25)13-28(2)14-37-15-28/h4-11,16H,12-15H2,1-3H3,(H2,30,32,33)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351880
PNG
(US9796716, Compound 125)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CC4(C)COC4)c4ncnc(N)c34)c2)s1
Show InChI InChI=1S/C27H25FN6O3S/c1-16-30-10-22(38-16)11-36-20-7-18(28)8-21(9-20)37-19-5-3-17(4-6-19)24-23-25(29)31-15-32-26(23)34(33-24)12-27(2)13-35-14-27/h3-10,15H,11-14H2,1-2H3,(H2,29,31,32)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351882
PNG
(US9796716, Compound 127)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(c4ncnc(N)c34)C(C)(C)C)c2)s1
Show InChI InChI=1S/C26H25FN6O2S/c1-15-29-12-21(36-15)13-34-19-9-17(27)10-20(11-19)35-18-7-5-16(6-8-18)23-22-24(28)30-14-31-25(22)33(32-23)26(2,3)4/h5-12,14H,13H2,1-4H3,(H2,28,30,31)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351755
PNG
(US9796716, Compound 1)
Show SMILES Nc1ncnc2[nH]nc(-c3ccc(Oc4cccc(OCc5ccccc5)c4)cc3)c12
Show InChI InChI=1S/C24H19N5O2/c25-23-21-22(28-29-24(21)27-15-26-23)17-9-11-18(12-10-17)31-20-8-4-7-19(13-20)30-14-16-5-2-1-3-6-16/h1-13,15H,14H2,(H3,25,26,27,28,29)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351768
PNG
(US9796716, Compound 14)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cccc(OCc5cncs5)c4)cc3)c12)C1CCCC1
Show InChI InChI=1S/C26H24N6O2S/c27-25-23-24(31-32(18-4-1-2-5-18)26(23)30-15-29-25)17-8-10-19(11-9-17)34-21-7-3-6-20(12-21)33-14-22-13-28-16-35-22/h3,6-13,15-16,18H,1-2,4-5,14H2,(H2,27,29,30)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351783
PNG
(US9796716, Compound 27)
Show SMILES CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3cccc(OCc4cncs4)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C28H27N7O3S/c1-18(36)34-11-3-4-20(14-34)35-28-25(27(29)31-16-32-28)26(33-35)19-7-9-21(10-8-19)38-23-6-2-5-22(12-23)37-15-24-13-30-17-39-24/h2,5-10,12-13,16-17,20H,3-4,11,14-15H2,1H3,(H2,29,31,32)/t20-/m1/s1
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351788
PNG
(US9796716, Compound 32)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cccc(COc5ccccc5C(F)(F)F)c4)cc3)c12)C1CCCC1
Show InChI InChI=1S/C30H26F3N5O2/c31-30(32,33)24-10-3-4-11-25(24)39-17-19-6-5-9-23(16-19)40-22-14-12-20(13-15-22)27-26-28(34)35-18-36-29(26)38(37-27)21-7-1-2-8-21/h3-6,9-16,18,21H,1-2,7-8,17H2,(H2,34,35,36)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351814
PNG
(US9796716, Compound 59)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3F)-c3nn(C4CCOCC4)c4ncnc(N)c34)c2)s1
Show InChI InChI=1S/C27H24F2N6O3S/c1-15-31-12-21(39-15)13-37-19-9-17(28)10-20(11-19)38-23-3-2-16(8-22(23)29)25-24-26(30)32-14-33-27(24)35(34-25)18-4-6-36-7-5-18/h2-3,8-12,14,18H,4-7,13H2,1H3,(H2,30,32,33)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351828
PNG
(US9796716, Compound 72)
Show SMILES Cn1cncc1COc1cc(F)cc(Oc2ccc(cc2F)-c2nn(C3CCOCC3)c3ncnc(N)c23)c1
Show InChI InChI=1S/C27H25F2N7O3/c1-35-15-31-12-19(35)13-38-20-9-17(28)10-21(11-20)39-23-3-2-16(8-22(23)29)25-24-26(30)32-14-33-27(24)36(34-25)18-4-6-37-7-5-18/h2-3,8-12,14-15,18H,4-7,13H2,1H3,(H2,30,32,33)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351833
PNG
(US9796716, Compound 76)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5cncn5Cc5ccccc5)c4)cc3)c12)C1CCOCC1
Show InChI InChI=1S/C33H30FN7O3/c34-24-14-28(43-19-26-17-36-21-40(26)18-22-4-2-1-3-5-22)16-29(15-24)44-27-8-6-23(7-9-27)31-30-32(35)37-20-38-33(30)41(39-31)25-10-12-42-13-11-25/h1-9,14-17,20-21,25H,10-13,18-19H2,(H2,35,37,38)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351835
PNG
(US9796716, Compound 78)
Show SMILES CC(C)n1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)s4)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C25H23FN6O2S/c1-14(2)32-25-22(24(27)29-13-30-25)23(31-32)16-4-6-18(7-5-16)34-20-9-17(26)8-19(10-20)33-12-21-11-28-15(3)35-21/h4-11,13-14H,12H2,1-3H3,(H2,27,29,30)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351849
PNG
(US9796716, Compound 93)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5cnc[nH]5)c4)cc3)c12)C1CCOCC1
Show InChI InChI=1S/C26H24FN7O3/c27-17-9-21(36-13-18-12-29-14-30-18)11-22(10-17)37-20-3-1-16(2-4-20)24-23-25(28)31-15-32-26(23)34(33-24)19-5-7-35-8-6-19/h1-4,9-12,14-15,19H,5-8,13H2,(H,29,30)(H2,28,31,32)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351852
PNG
(US9796716, Compound 97)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5cncn5CCOCc5ccccc5)c4)cc3)c12)C1CCOCC1
Show InChI InChI=1S/C35H34FN7O4/c36-26-16-30(46-21-28-19-38-23-42(28)12-15-45-20-24-4-2-1-3-5-24)18-31(17-26)47-29-8-6-25(7-9-29)33-32-34(37)39-22-40-35(32)43(41-33)27-10-13-44-14-11-27/h1-9,16-19,22-23,27H,10-15,20-21H2,(H2,37,39,40)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351855
PNG
(US9796716, Compound 100)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C(CO)CO)c4ncnc(N)c34)c2)s1
Show InChI InChI=1S/C25H23FN6O4S/c1-14-28-9-21(37-14)12-35-19-6-16(26)7-20(8-19)36-18-4-2-15(3-5-18)23-22-24(27)29-13-30-25(22)32(31-23)17(10-33)11-34/h2-9,13,17,33-34H,10-12H2,1H3,(H2,27,29,30)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351873
PNG
(US9796716, Compound 118)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C4CCOCC4)c4ncnc(N)c34)c2)[nH]1
Show InChI InChI=1S/C27H26FN7O3/c1-16-30-13-19(33-16)14-37-22-10-18(28)11-23(12-22)38-21-4-2-17(3-5-21)25-24-26(29)31-15-32-27(24)35(34-25)20-6-8-36-9-7-20/h2-5,10-13,15,20H,6-9,14H2,1H3,(H,30,33)(H2,29,31,32)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351876
PNG
(US9796716, Compound 121)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CC(C)(C)O)c4ncnc(N)c34)c2)n1C
Show InChI InChI=1S/C27H28FN7O3/c1-16-30-12-19(34(16)4)13-37-21-9-18(28)10-22(11-21)38-20-7-5-17(6-8-20)24-23-25(29)31-15-32-26(23)35(33-24)14-27(2,3)36/h5-12,15,36H,13-14H2,1-4H3,(H2,29,31,32)
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<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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


(Homo sapiens (Human))
BDBM351801
PNG
(US9796716, Compound 45)
Show SMILES CC(=O)n1nc(-c2ccc(Oc3cccc(OCc4ccccc4)c3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C26H21N5O3/c1-17(32)31-26-23(25(27)28-16-29-26)24(30-31)19-10-12-20(13-11-19)34-22-9-5-8-21(14-22)33-15-18-6-3-2-4-7-18/h2-14,16H,15H2,1H3,(H2,27,28,29)
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550n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9796716 (2017)

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