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Patent code US9822120

Compile Data Set for Download or QSAR
Found 64 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))		BDBM359860
PNG
(US9822120, Compound 14)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CC(O)(CO)C4)n4ccnc(N)c34)c2)s1
Show InChI InChI=1S/C28H26FN5O4S/c1-16-32-13-23(39-16)14-37-21-8-19(29)9-22(10-21)38-20-4-2-17(3-5-20)24-25-26(30)31-6-7-34(25)27(33-24)18-11-28(36,12-18)15-35/h2-10,13,18,35-36H,11-12,14-15H2,1H3,(H2,30,31)
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<100n/an/an/an/an/an/an/an/a



Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359867
PNG
(US9822120, Compound 21)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CC(=O)C4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C28H23FN6O3/c1-16-32-13-17(14-33-16)15-37-23-10-20(29)11-24(12-23)38-22-4-2-18(3-5-22)25-26-27(30)31-6-7-35(26)28(34-25)19-8-21(36)9-19/h2-7,10-14,19H,8-9,15H2,1H3,(H2,30,31)
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<100n/an/an/an/an/an/an/an/a



Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359853
PNG
(US9822120, Compound 7)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CCOCC4)n4ccnc(N)c34)c2)s1
Show InChI InChI=1S/C28H26FN5O3S/c1-17-32-15-24(38-17)16-36-22-12-20(29)13-23(14-22)37-21-4-2-18(3-5-21)25-26-27(30)31-8-9-34(26)28(33-25)19-6-10-35-11-7-19/h2-5,8-9,12-15,19H,6-7,10-11,16H2,1H3,(H2,30,31)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359847
PNG
(US9822120, Compound 1)
Show SMILES CC(C)c1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)s4)c3)cc2)c2c(N)nccn12
Show InChI InChI=1S/C26H24FN5O2S/c1-15(2)26-31-23(24-25(28)29-8-9-32(24)26)17-4-6-19(7-5-17)34-21-11-18(27)10-20(12-21)33-14-22-13-30-16(3)35-22/h4-13,15H,14H2,1-3H3,(H2,28,29)
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<100n/an/an/an/an/an/an/an/a



Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359852
PNG
(US9822120, Compound 6)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CCCC4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C29H27FN6O2/c1-18-33-15-19(16-34-18)17-37-24-12-22(30)13-25(14-24)38-23-8-6-20(7-9-23)26-27-28(31)32-10-11-36(27)29(35-26)21-4-2-3-5-21/h6-16,21H,2-5,17H2,1H3,(H2,31,32)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359855
PNG
(US9822120, Compound 9)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CCOCC4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C29H27FN6O3/c1-18-33-15-19(16-34-18)17-38-24-12-22(30)13-25(14-24)39-23-4-2-20(3-5-23)26-27-28(31)32-8-9-36(27)29(35-26)21-6-10-37-11-7-21/h2-5,8-9,12-16,21H,6-7,10-11,17H2,1H3,(H2,31,32)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359851
PNG
(US9822120, Compound 5)
Show SMILES Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CCCC4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C30H28FN5O2/c1-19-6-7-20(17-34-19)18-37-25-14-23(31)15-26(16-25)38-24-10-8-21(9-11-24)27-28-29(32)33-12-13-36(28)30(35-27)22-4-2-3-5-22/h6-17,22H,2-5,18H2,1H3,(H2,32,33)
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<100n/an/an/an/an/an/an/an/a



Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359849
PNG
(US9822120, Compound 3)
Show SMILES CC(C)c1nc(-c2ccc(Oc3cc(F)cc(OCc4ccc(C)nc4)c3)cc2)c2c(N)nccn12
Show InChI InChI=1S/C28H26FN5O2/c1-17(2)28-33-25(26-27(30)31-10-11-34(26)28)20-6-8-22(9-7-20)36-24-13-21(29)12-23(14-24)35-16-19-5-4-18(3)32-15-19/h4-15,17H,16H2,1-3H3,(H2,30,31)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359865
PNG
(US9822120, Compound 19)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CC(O)(CO)C4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C29H27FN6O4/c1-17-33-13-18(14-34-17)15-39-23-8-21(30)9-24(10-23)40-22-4-2-19(3-5-22)25-26-27(31)32-6-7-36(26)28(35-25)20-11-29(38,12-20)16-37/h2-10,13-14,20,37-38H,11-12,15-16H2,1H3,(H2,31,32)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359861
PNG
(US9822120, Compound 15)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(n4ccnc(N)c34)C3(C)COC3)c2)s1
Show InChI InChI=1S/C27H24FN5O3S/c1-16-31-12-22(37-16)13-35-20-9-18(28)10-21(11-20)36-19-5-3-17(4-6-19)23-24-25(29)30-7-8-33(24)26(32-23)27(2)14-34-15-27/h3-12H,13-15H2,1-2H3,(H2,29,30)
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<100n/an/an/an/an/an/an/an/a



Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359858
PNG
(US9822120, Compound 12)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(n4ccnc(N)c34)C3(C)COC3)c2)cn1
Show InChI InChI=1S/C28H25FN6O3/c1-17-32-12-18(13-33-17)14-37-22-9-20(29)10-23(11-22)38-21-5-3-19(4-6-21)24-25-26(30)31-7-8-35(25)27(34-24)28(2)15-36-16-28/h3-13H,14-16H2,1-2H3,(H2,30,31)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359850
PNG
(US9822120, Compound 4)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CCCC4)n4ccnc(N)c34)c2)s1
Show InChI InChI=1S/C28H26FN5O2S/c1-17-32-15-24(37-17)16-35-22-12-20(29)13-23(14-22)36-21-8-6-18(7-9-21)25-26-27(30)31-10-11-34(26)28(33-25)19-4-2-3-5-19/h6-15,19H,2-5,16H2,1H3,(H2,30,31)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359859
PNG
(US9822120, Compound 13)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc([C@H]4C[C@@](C)(O)C4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C29H27FN6O3/c1-17-33-14-18(15-34-17)16-38-23-9-21(30)10-24(11-23)39-22-5-3-19(4-6-22)25-26-27(31)32-7-8-36(26)28(35-25)20-12-29(2,37)13-20/h3-11,14-15,20,37H,12-13,16H2,1-2H3,(H2,31,32)/t20-,29+
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359870
PNG
(US9822120, Compound 25)
Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(Oc3cc(F)cc(OCc4ccccc4)c3)cc2)c2c(N)nccn12
Show InChI InChI=1S/C30H27FN4O3/c1-30(36)16-21(17-30)29-34-26(27-28(32)33-11-12-35(27)29)20-7-9-23(10-8-20)38-25-14-22(31)13-24(15-25)37-18-19-5-3-2-4-6-19/h2-15,21,36H,16-18H2,1H3,(H2,32,33)/t21-,30+
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359863
PNG
(US9822120, Compound 17)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CC(=O)C4)n4ccnc(N)c34)c2)s1
Show InChI InChI=1S/C27H22FN5O3S/c1-15-31-13-23(37-15)14-35-21-10-18(28)11-22(12-21)36-20-4-2-16(3-5-20)24-25-26(29)30-6-7-33(25)27(32-24)17-8-19(34)9-17/h2-7,10-13,17H,8-9,14H2,1H3,(H2,29,30)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359857
PNG
(US9822120, Compound 11)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CC4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C27H23FN6O2/c1-16-31-13-17(14-32-16)15-35-22-10-20(28)11-23(12-22)36-21-6-4-18(5-7-21)24-25-26(29)30-8-9-34(25)27(33-24)19-2-3-19/h4-14,19H,2-3,15H2,1H3,(H2,29,30)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359856
PNG
(US9822120, Compound 10)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CC4)n4ccnc(N)c34)c2)s1
Show InChI InChI=1S/C26H22FN5O2S/c1-15-30-13-22(35-15)14-33-20-10-18(27)11-21(12-20)34-19-6-4-16(5-7-19)23-24-25(28)29-8-9-32(24)26(31-23)17-2-3-17/h4-13,17H,2-3,14H2,1H3,(H2,28,29)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359848
PNG
(US9822120, Compound 2)
Show SMILES CC(C)c1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)nc4)c3)cc2)c2c(N)nccn12
Show InChI InChI=1S/C27H25FN6O2/c1-16(2)27-33-24(25-26(29)30-8-9-34(25)27)19-4-6-21(7-5-19)36-23-11-20(28)10-22(12-23)35-15-18-13-31-17(3)32-14-18/h4-14,16H,15H2,1-3H3,(H2,29,30)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359868
PNG
(US9822120, Compound 22)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc([C@@H]4CCCNC4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C29H28FN7O2/c1-18-34-14-19(15-35-18)17-38-24-11-22(30)12-25(13-24)39-23-6-4-20(5-7-23)26-27-28(31)33-9-10-37(27)29(36-26)21-3-2-8-32-16-21/h4-7,9-15,21,32H,2-3,8,16-17H2,1H3,(H2,31,33)/t21-/m1/s1
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<100n/an/an/an/an/an/an/an/a



Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359872
PNG
(US9822120, Compound 27)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CNC4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C27H24FN7O2/c1-16-32-11-17(12-33-16)15-36-22-8-20(28)9-23(10-22)37-21-4-2-18(3-5-21)24-25-26(29)31-6-7-35(25)27(34-24)19-13-30-14-19/h2-12,19,30H,13-15H2,1H3,(H2,29,31)
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<100n/an/an/an/an/an/an/an/a



Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359864
PNG
(US9822120, Compound 18)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(CCN4CCCC4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C30H30FN7O2/c1-20-34-17-21(18-35-20)19-39-25-14-23(31)15-26(16-25)40-24-6-4-22(5-7-24)28-29-30(32)33-9-13-38(29)27(36-28)8-12-37-10-2-3-11-37/h4-7,9,13-18H,2-3,8,10-12,19H2,1H3,(H2,32,33)
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<100n/an/an/an/an/an/an/an/a



Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359866
PNG
(US9822120, Compound 20)
Show SMILES CN1CCN(CC1)[C@H]1C[C@H](C1)c1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)s4)c3)cc2)c2c(N)nccn12
Show InChI InChI=1S/C32H34FN7O2S/c1-20-36-18-28(43-20)19-41-26-15-23(33)16-27(17-26)42-25-5-3-21(4-6-25)29-30-31(34)35-7-8-40(30)32(37-29)22-13-24(14-22)39-11-9-38(2)10-12-39/h3-8,15-18,22,24H,9-14,19H2,1-2H3,(H2,34,35)/t22-,24+
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<100n/an/an/an/an/an/an/an/a



Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359862
PNG
(US9822120, Compound 16)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc([C@H]4C[C@@](C)(O)C4)n4ccnc(N)c34)c2)s1
Show InChI InChI=1S/C28H26FN5O3S/c1-16-32-14-23(38-16)15-36-21-9-19(29)10-22(11-21)37-20-5-3-17(4-6-20)24-25-26(30)31-7-8-34(25)27(33-24)18-12-28(2,35)13-18/h3-11,14,18,35H,12-13,15H2,1-2H3,(H2,30,31)/t18-,28+
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<100n/an/an/an/an/an/an/an/a



Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359871
PNG
(US9822120, Compound 26)
Show SMILES CC(=O)N1CC(C1)c1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)nc4)c3)cc2)c2c(N)nccn12
Show InChI InChI=1S/C29H26FN7O3/c1-17-33-12-19(13-34-17)16-39-24-9-22(30)10-25(11-24)40-23-5-3-20(4-6-23)26-27-28(31)32-7-8-37(27)29(35-26)21-14-36(15-21)18(2)38/h3-13,21H,14-16H2,1-2H3,(H2,31,32)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359869
PNG
(US9822120, Compound 24)
Show SMILES CC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)nc4)c3)cc2)c2c(N)nccn12
Show InChI InChI=1S/C31H30FN7O3/c1-19-35-15-21(16-36-19)18-41-26-12-24(32)13-27(14-26)42-25-7-5-22(6-8-25)28-29-30(33)34-9-11-39(29)31(37-28)23-4-3-10-38(17-23)20(2)40/h5-9,11-16,23H,3-4,10,17-18H2,1-2H3,(H2,33,34)/t23-/m1/s1
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359854
PNG
(US9822120, Compound 8)
Show SMILES Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CCOCC4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C30H28FN5O3/c1-19-2-3-20(17-34-19)18-38-25-14-23(31)15-26(16-25)39-24-6-4-21(5-7-24)27-28-29(32)33-10-11-36(28)30(35-27)22-8-12-37-13-9-22/h2-7,10-11,14-17,22H,8-9,12-13,18H2,1H3,(H2,32,33)
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<100n/an/an/an/an/an/an/an/a



Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359873
PNG
(US9822120, Compound 29)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc([C@@H]4C[C@H](O)C4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C28H25FN6O3/c1-16-32-13-17(14-33-16)15-37-23-10-20(29)11-24(12-23)38-22-4-2-18(3-5-22)25-26-27(30)31-6-7-35(26)28(34-25)19-8-21(36)9-19/h2-7,10-14,19,21,36H,8-9,15H2,1H3,(H2,30,31)/t19-,21+
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359868
PNG
(US9822120, Compound 22)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc([C@@H]4CCCNC4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C29H28FN7O2/c1-18-34-14-19(15-35-18)17-38-24-11-22(30)12-25(13-24)39-23-6-4-20(5-7-23)26-27-28(31)33-9-10-37(27)29(36-26)21-3-2-8-32-16-21/h4-7,9-15,21,32H,2-3,8,16-17H2,1H3,(H2,31,33)/t21-/m1/s1
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359874
PNG
(US9822120, Compound 30)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CCNCC4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C29H28FN7O2/c1-18-34-15-19(16-35-18)17-38-24-12-22(30)13-25(14-24)39-23-4-2-20(3-5-23)26-27-28(31)33-10-11-37(27)29(36-26)21-6-8-32-9-7-21/h2-5,10-16,21,32H,6-9,17H2,1H3,(H2,31,33)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359875
PNG
(US9822120, Compound 31)
Show SMILES CC(=O)N1CCC(CC1)c1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)nc4)c3)cc2)c2c(N)nccn12
Show InChI InChI=1S/C31H30FN7O3/c1-19-35-16-21(17-36-19)18-41-26-13-24(32)14-27(15-26)42-25-5-3-22(4-6-25)28-29-30(33)34-9-12-39(29)31(37-28)23-7-10-38(11-8-23)20(2)40/h3-6,9,12-17,23H,7-8,10-11,18H2,1-2H3,(H2,33,34)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359856
PNG
(US9822120, Compound 10)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CC4)n4ccnc(N)c34)c2)s1
Show InChI InChI=1S/C26H22FN5O2S/c1-15-30-13-22(35-15)14-33-20-10-18(27)11-21(12-20)34-19-6-4-16(5-7-19)23-24-25(28)29-8-9-32(24)26(31-23)17-2-3-17/h4-13,17H,2-3,14H2,1H3,(H2,28,29)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359876
PNG
(US9822120, Compound 33)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc([C@@H]4C[C@@H](C4)N4CCOCC4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C32H32FN7O3/c1-20-36-17-21(18-37-20)19-42-27-14-24(33)15-28(16-27)43-26-4-2-22(3-5-26)29-30-31(34)35-6-7-40(30)32(38-29)23-12-25(13-23)39-8-10-41-11-9-39/h2-7,14-18,23,25H,8-13,19H2,1H3,(H2,34,35)/t23-,25+
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359873
PNG
(US9822120, Compound 29)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc([C@@H]4C[C@H](O)C4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C28H25FN6O3/c1-16-32-13-17(14-33-16)15-37-23-10-20(29)11-24(12-23)38-22-4-2-18(3-5-22)25-26-27(30)31-6-7-35(26)28(34-25)19-8-21(36)9-19/h2-7,10-14,19,21,36H,8-9,15H2,1H3,(H2,30,31)/t19-,21+
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Pharmascience Inc

US Patent


Assay Description
Method B: hBTK kinase is diluted in buffer and all compounds were prepared to 50× final assay concentration in 100% DMSO. This working stock of the c...

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359877
PNG
(US9822120, Compound 34)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc([C@@H]4CCCN(C4)C4COC4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C32H32FN7O3/c1-20-36-14-21(15-37-20)17-42-27-11-24(33)12-28(13-27)43-26-6-4-22(5-7-26)29-30-31(34)35-8-10-40(30)32(38-29)23-3-2-9-39(16-23)25-18-41-19-25/h4-8,10-15,23,25H,2-3,9,16-19H2,1H3,(H2,34,35)/t23-/m1/s1
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Pharmascience Inc

US Patent


Assay Description
Method B: hBTK kinase is diluted in buffer and all compounds were prepared to 50× final assay concentration in 100% DMSO. This working stock of the c...

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359853
PNG
(US9822120, Compound 7)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CCOCC4)n4ccnc(N)c34)c2)s1
Show InChI InChI=1S/C28H26FN5O3S/c1-17-32-15-24(38-17)16-36-22-12-20(29)13-23(14-22)37-21-4-2-18(3-5-21)25-26-27(30)31-8-9-34(26)28(33-25)19-6-10-35-11-7-19/h2-5,8-9,12-15,19H,6-7,10-11,16H2,1H3,(H2,30,31)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359855
PNG
(US9822120, Compound 9)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CCOCC4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C29H27FN6O3/c1-18-33-15-19(16-34-18)17-38-24-12-22(30)13-25(14-24)39-23-4-2-20(3-5-23)26-27-28(31)32-8-9-36(27)29(35-26)21-6-10-37-11-7-21/h2-5,8-9,12-16,21H,6-7,10-11,17H2,1H3,(H2,31,32)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359860
PNG
(US9822120, Compound 14)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CC(O)(CO)C4)n4ccnc(N)c34)c2)s1
Show InChI InChI=1S/C28H26FN5O4S/c1-16-32-13-23(39-16)14-37-21-8-19(29)9-22(10-21)38-20-4-2-17(3-5-20)24-25-26(30)31-6-7-34(25)27(33-24)18-11-28(36,12-18)15-35/h2-10,13,18,35-36H,11-12,14-15H2,1H3,(H2,30,31)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359872
PNG
(US9822120, Compound 27)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CNC4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C27H24FN7O2/c1-16-32-11-17(12-33-16)15-36-22-8-20(28)9-23(10-22)37-21-4-2-18(3-5-21)24-25-26(29)31-6-7-35(25)27(34-24)19-13-30-14-19/h2-12,19,30H,13-15H2,1H3,(H2,29,31)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359867
PNG
(US9822120, Compound 21)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CC(=O)C4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C28H23FN6O3/c1-16-32-13-17(14-33-16)15-37-23-10-20(29)11-24(12-23)38-22-4-2-18(3-5-22)25-26-27(30)31-6-7-35(26)28(34-25)19-8-21(36)9-19/h2-7,10-14,19H,8-9,15H2,1H3,(H2,30,31)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359861
PNG
(US9822120, Compound 15)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(n4ccnc(N)c34)C3(C)COC3)c2)s1
Show InChI InChI=1S/C27H24FN5O3S/c1-16-31-12-22(37-16)13-35-20-9-18(28)10-21(11-20)36-19-5-3-17(4-6-19)23-24-25(29)30-7-8-33(24)26(32-23)27(2)14-34-15-27/h3-12H,13-15H2,1-2H3,(H2,29,30)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359858
PNG
(US9822120, Compound 12)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(n4ccnc(N)c34)C3(C)COC3)c2)cn1
Show InChI InChI=1S/C28H25FN6O3/c1-17-32-12-18(13-33-17)14-37-22-9-20(29)10-23(11-22)38-21-5-3-19(4-6-21)24-25-26(30)31-7-8-35(25)27(34-24)28(2)15-36-16-28/h3-13H,14-16H2,1-2H3,(H2,30,31)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359851
PNG
(US9822120, Compound 5)
Show SMILES Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CCCC4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C30H28FN5O2/c1-19-6-7-20(17-34-19)18-37-25-14-23(31)15-26(16-25)38-24-10-8-21(9-11-24)27-28-29(32)33-12-13-36(28)30(35-27)22-4-2-3-5-22/h6-17,22H,2-5,18H2,1H3,(H2,32,33)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359878
PNG
(US9822120, Compound 35)
Show SMILES CC(C)c1nc(-c2ccc(Oc3cc(F)cc(OCc4ccc(CO)nc4)c3)cc2)c2c(N)nccn12
Show InChI InChI=1S/C28H26FN5O3/c1-17(2)28-33-25(26-27(30)31-9-10-34(26)28)19-4-7-22(8-5-19)37-24-12-20(29)11-23(13-24)36-16-18-3-6-21(15-35)32-14-18/h3-14,17,35H,15-16H2,1-2H3,(H2,30,31)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359869
PNG
(US9822120, Compound 24)
Show SMILES CC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)nc4)c3)cc2)c2c(N)nccn12
Show InChI InChI=1S/C31H30FN7O3/c1-19-35-15-21(16-36-19)18-41-26-12-24(32)13-27(14-26)42-25-7-5-22(6-8-25)28-29-30(33)34-9-11-39(29)31(37-28)23-4-3-10-38(17-23)20(2)40/h5-9,11-16,23H,3-4,10,17-18H2,1-2H3,(H2,33,34)/t23-/m1/s1
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359862
PNG
(US9822120, Compound 16)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc([C@H]4C[C@@](C)(O)C4)n4ccnc(N)c34)c2)s1
Show InChI InChI=1S/C28H26FN5O3S/c1-16-32-14-23(38-16)15-36-21-9-19(29)10-22(11-21)37-20-5-3-17(4-6-20)24-25-26(30)31-7-8-34(25)27(33-24)18-12-28(2,35)13-18/h3-11,14,18,35H,12-13,15H2,1-2H3,(H2,30,31)/t18-,28+
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359876
PNG
(US9822120, Compound 33)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc([C@@H]4C[C@@H](C4)N4CCOCC4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C32H32FN7O3/c1-20-36-17-21(18-37-20)19-42-27-14-24(33)15-28(16-27)43-26-4-2-22(3-5-26)29-30-31(34)35-6-7-40(30)32(38-29)23-12-25(13-23)39-8-10-41-11-9-39/h2-7,14-18,23,25H,8-13,19H2,1H3,(H2,34,35)/t23-,25+
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Pharmascience Inc

US Patent


Assay Description
Method B: hBTK kinase is diluted in buffer and all compounds were prepared to 50× final assay concentration in 100% DMSO. This working stock of the c...

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359874
PNG
(US9822120, Compound 30)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CCNCC4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C29H28FN7O2/c1-18-34-15-19(16-35-18)17-38-24-12-22(30)13-25(14-24)39-23-4-2-20(3-5-23)26-27-28(31)33-10-11-37(27)29(36-26)21-6-8-32-9-7-21/h2-5,10-16,21,32H,6-9,17H2,1H3,(H2,31,33)
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Pharmascience Inc

US Patent


Assay Description
Method B: hBTK kinase is diluted in buffer and all compounds were prepared to 50× final assay concentration in 100% DMSO. This working stock of the c...

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359870
PNG
(US9822120, Compound 25)
Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc(Oc3cc(F)cc(OCc4ccccc4)c3)cc2)c2c(N)nccn12
Show InChI InChI=1S/C30H27FN4O3/c1-30(36)16-21(17-30)29-34-26(27-28(32)33-11-12-35(27)29)20-7-9-23(10-8-20)38-25-14-22(31)13-24(15-25)37-18-19-5-3-2-4-6-19/h2-15,21,36H,16-18H2,1H3,(H2,32,33)/t21-,30+
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359865
PNG
(US9822120, Compound 19)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CC(O)(CO)C4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C29H27FN6O4/c1-17-33-13-18(14-34-17)15-39-23-8-21(30)9-24(10-23)40-22-4-2-19(3-5-22)25-26-27(31)32-6-7-36(26)28(35-25)20-11-29(38,12-20)16-37/h2-10,13-14,20,37-38H,11-12,15-16H2,1H3,(H2,31,32)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359875
PNG
(US9822120, Compound 31)
Show SMILES CC(=O)N1CCC(CC1)c1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)nc4)c3)cc2)c2c(N)nccn12
Show InChI InChI=1S/C31H30FN7O3/c1-19-35-16-21(17-36-19)18-41-26-13-24(32)14-27(15-26)42-25-5-3-22(4-6-25)28-29-30(33)34-9-12-39(29)31(37-28)23-7-10-38(11-8-23)20(2)40/h3-6,9,12-17,23H,7-8,10-11,18H2,1-2H3,(H2,33,34)
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Pharmascience Inc

US Patent


Assay Description
Method B: hBTK kinase is diluted in buffer and all compounds were prepared to 50× final assay concentration in 100% DMSO. This working stock of the c...

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359877
PNG
(US9822120, Compound 34)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc([C@@H]4CCCN(C4)C4COC4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C32H32FN7O3/c1-20-36-14-21(15-37-20)17-42-27-11-24(33)12-28(13-27)43-26-6-4-22(5-7-26)29-30-31(34)35-8-10-40(30)32(38-29)23-3-2-9-39(16-23)25-18-41-19-25/h4-8,10-15,23,25H,2-3,9,16-19H2,1H3,(H2,34,35)/t23-/m1/s1
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359871
PNG
(US9822120, Compound 26)
Show SMILES CC(=O)N1CC(C1)c1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)nc4)c3)cc2)c2c(N)nccn12
Show InChI InChI=1S/C29H26FN7O3/c1-17-33-12-19(13-34-17)16-39-24-9-22(30)10-25(11-24)40-23-5-3-20(4-6-23)26-27-28(31)32-7-8-37(27)29(35-26)21-14-36(15-21)18(2)38/h3-13,21H,14-16H2,1-2H3,(H2,31,32)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359866
PNG
(US9822120, Compound 20)
Show SMILES CN1CCN(CC1)[C@H]1C[C@H](C1)c1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)s4)c3)cc2)c2c(N)nccn12
Show InChI InChI=1S/C32H34FN7O2S/c1-20-36-18-28(43-20)19-41-26-15-23(33)16-27(17-26)42-25-5-3-21(4-6-25)29-30-31(34)35-7-8-40(30)32(37-29)22-13-24(14-22)39-11-9-38(2)10-12-39/h3-8,15-18,22,24H,9-14,19H2,1-2H3,(H2,34,35)/t22-,24+
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359854
PNG
(US9822120, Compound 8)
Show SMILES Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CCOCC4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C30H28FN5O3/c1-19-2-3-20(17-34-19)18-38-25-14-23(31)15-26(16-25)39-24-6-4-21(5-7-24)27-28-29(32)33-10-11-36(28)30(35-27)22-8-12-37-13-9-22/h2-7,10-11,14-17,22H,8-9,12-13,18H2,1H3,(H2,32,33)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359852
PNG
(US9822120, Compound 6)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CCCC4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C29H27FN6O2/c1-18-33-15-19(16-34-18)17-37-24-12-22(30)13-25(14-24)38-23-8-6-20(7-9-23)26-27-28(31)32-10-11-36(27)29(35-26)21-4-2-3-5-21/h6-16,21H,2-5,17H2,1H3,(H2,31,32)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359850
PNG
(US9822120, Compound 4)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CCCC4)n4ccnc(N)c34)c2)s1
Show InChI InChI=1S/C28H26FN5O2S/c1-17-32-15-24(37-17)16-35-22-12-20(29)13-23(14-22)36-21-8-6-18(7-9-21)25-26-27(30)31-10-11-34(26)28(33-25)19-4-2-3-5-19/h6-15,19H,2-5,16H2,1H3,(H2,30,31)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359849
PNG
(US9822120, Compound 3)
Show SMILES CC(C)c1nc(-c2ccc(Oc3cc(F)cc(OCc4ccc(C)nc4)c3)cc2)c2c(N)nccn12
Show InChI InChI=1S/C28H26FN5O2/c1-17(2)28-33-25(26-27(30)31-10-11-34(26)28)20-6-8-22(9-7-20)36-24-13-21(29)12-23(14-24)35-16-19-5-4-18(3)32-15-19/h4-15,17H,16H2,1-3H3,(H2,30,31)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359848
PNG
(US9822120, Compound 2)
Show SMILES CC(C)c1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)nc4)c3)cc2)c2c(N)nccn12
Show InChI InChI=1S/C27H25FN6O2/c1-16(2)27-33-24(25-26(29)30-8-9-34(25)27)19-4-6-21(7-5-19)36-23-11-20(28)10-22(12-23)35-15-18-13-31-17(3)32-14-18/h4-14,16H,15H2,1-3H3,(H2,29,30)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359864
PNG
(US9822120, Compound 18)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(CCN4CCCC4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C30H30FN7O2/c1-20-34-17-21(18-35-20)19-39-25-14-23(31)15-26(16-25)40-24-6-4-22(5-7-24)28-29-30(32)33-9-13-38(29)27(36-28)8-12-37-10-2-3-11-37/h4-7,9,13-18H,2-3,8,10-12,19H2,1H3,(H2,32,33)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359859
PNG
(US9822120, Compound 13)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc([C@H]4C[C@@](C)(O)C4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C29H27FN6O3/c1-17-33-14-18(15-34-17)16-38-23-9-21(30)10-24(11-23)39-22-5-3-19(4-6-22)25-26-27(31)32-7-8-36(26)28(35-25)20-12-29(2,37)13-20/h3-11,14-15,20,37H,12-13,16H2,1-2H3,(H2,31,32)/t20-,29+
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359857
PNG
(US9822120, Compound 11)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CC4)n4ccnc(N)c34)c2)cn1
Show InChI InChI=1S/C27H23FN6O2/c1-16-31-13-17(14-32-16)15-35-22-10-20(28)11-23(12-22)36-21-6-4-18(5-7-21)24-25-26(29)30-8-9-34(25)27(33-24)19-2-3-19/h4-14,19H,2-3,15H2,1H3,(H2,29,30)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359847
PNG
(US9822120, Compound 1)
Show SMILES CC(C)c1nc(-c2ccc(Oc3cc(F)cc(OCc4cnc(C)s4)c3)cc2)c2c(N)nccn12
Show InChI InChI=1S/C26H24FN5O2S/c1-15(2)26-31-23(24-25(28)29-8-9-32(24)26)17-4-6-19(7-5-17)34-21-11-18(27)10-20(12-21)33-14-22-13-30-16(3)35-22/h4-13,15H,14H2,1-3H3,(H2,28,29)
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Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359878
PNG
(US9822120, Compound 35)
Show SMILES CC(C)c1nc(-c2ccc(Oc3cc(F)cc(OCc4ccc(CO)nc4)c3)cc2)c2c(N)nccn12
Show InChI InChI=1S/C28H26FN5O3/c1-17(2)28-33-25(26-27(30)31-9-10-34(26)28)19-4-7-22(8-5-19)37-24-12-20(29)11-23(13-24)36-16-18-3-6-21(15-35)32-14-18/h3-14,17,35H,15-16H2,1-2H3,(H2,30,31)
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Pharmascience Inc

US Patent


Assay Description
Method B: hBTK kinase is diluted in buffer and all compounds were prepared to 50× final assay concentration in 100% DMSO. This working stock of the c...

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM359863
PNG
(US9822120, Compound 17)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nc(C4CC(=O)C4)n4ccnc(N)c34)c2)s1
Show InChI InChI=1S/C27H22FN5O3S/c1-15-31-13-23(37-15)14-35-21-10-18(28)11-22(12-21)36-20-4-2-16(3-5-20)24-25-26(29)30-6-7-33(25)27(32-24)17-8-19(34)9-17/h2-7,10-13,17H,8-9,14H2,1H3,(H2,29,30)
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n/an/an/an/a<100n/an/an/an/a



Pharmascience Inc

US Patent


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

US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%