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Compile Data Set for Download or QSAR

Found 127 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 2055   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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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<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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
More data for this
Ligand-Target Pair
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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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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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
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)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
More data for this
Ligand-Target Pair
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