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Patent code US9572811

Compile Data Set for Download or QSAR
Found 103 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
TBD


(Homo sapiens (human))
BDBM197247
PNG
(US9090621, 84A | US9572811, Example 85A)
Show SMILES CN(C)C(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C31H33FN8O2/c1-31(2,38(3)4)16-20(17-33)30(41)39-14-8-9-21(39)18-40-29-26(28(34)35-19-36-29)27(37-40)24-13-12-23(15-25(24)32)42-22-10-6-5-7-11-22/h5-7,10-13,15-16,19,21H,8-9,14,18H2,1-4H3,(H2,34,35,36)/t21-/m1/s1
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n/an/a 0.400n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290188
PNG
(US9572811, Example 84A | US9572811, Example 84B)
Show SMILES CNC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31FN8O2/c1-30(2,34-3)15-19(16-32)29(40)38-13-7-8-20(38)17-39-28-25(27(33)35-18-36-28)26(37-39)23-12-11-22(14-24(23)31)41-21-9-5-4-6-10-21/h4-6,9-12,14-15,18,20,34H,7-8,13,17H2,1-3H3,(H2,33,35,36)/t20-/m1/s1
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n/an/a 0.400n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290141
PNG
(US9572811, Example 27A | US9572811, Example 27B)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(=CC1CC1)[N+]#[C-]
Show InChI InChI=1S/C30H28N6O2/c1-32-26(16-20-9-10-20)30(37)35-15-5-6-22(17-35)36-18-25(27-28(31)33-19-34-29(27)36)21-11-13-24(14-12-21)38-23-7-3-2-4-8-23/h2-4,7-8,11-14,16,18-20,22H,5-6,9-10,15,17H2,(H2,31,33,34)/t22-/m1/s1
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n/an/a 0.600n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290210
PNG
(US9572811, Example 139A)
Show SMILES CCN(CC)CC1(CCCC1)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C36H41FN8O2/c1-3-43(4-2)23-36(16-8-9-17-36)20-25(21-38)35(46)44-18-10-11-26(22-44)45-34-31(33(39)40-24-41-34)32(42-45)29-15-14-28(19-30(29)37)47-27-12-6-5-7-13-27/h5-7,12-15,19-20,24,26H,3-4,8-11,16-18,22-23H2,1-2H3,(H2,39,40,41)/t26-/m1/s1
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n/an/a 0.700n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197225
PNG
(US9090621, 188 | US9572811, Example 188)
Show SMILES C[C@H](Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)NC(=O)C(=CC(C)(C)N)C#N
Show InChI InChI=1S/C27H27FN8O2/c1-16(34-26(37)17(13-29)12-27(2,3)31)14-36-25-22(24(30)32-15-33-25)23(35-36)20-10-9-19(11-21(20)28)38-18-7-5-4-6-8-18/h4-12,15-16H,14,31H2,1-3H3,(H,34,37)(H2,30,32,33)/t16-/m1/s1
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n/an/a 0.700n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197262
PNG
(US9090621, 162A | US9572811, Example 162A)
Show SMILES CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12)N1CCOCC1
Show InChI InChI=1S/C33H33F3N8O3/c1-33(2,43-11-13-46-14-12-43)16-20(17-37)32(45)42-10-4-5-21(18-42)44-31-27(30(38)39-19-40-31)29(41-44)23-9-8-22(15-25(23)35)47-26-7-3-6-24(34)28(26)36/h3,6-9,15-16,19,21H,4-5,10-14,18H2,1-2H3,(H2,38,39,40)/t21-/m1/s1
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n/an/a 0.900n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290215
PNG
(US9572811, Example 175B)
Show SMILES CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C30H30N6O2/c1-20(2)15-22(16-31)30(37)36-14-6-7-23(36)17-35-18-26(27-28(32)33-19-34-29(27)35)21-10-12-25(13-11-21)38-24-8-4-3-5-9-24/h3-5,8-13,15,18-20,23H,6-7,14,17H2,1-2H3,(H2,32,33,34)/t23-/m1/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290132
PNG
((N-((1r,4r)-4-(4-amino-3-(4-phenoxyphenyl)-1H-pyra...)
Show SMILES CC(C)(C)C=C([N+]#[C-])C(=O)N[C@H]1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C31H33N7O2/c1-31(2,3)18-25(33-4)30(39)36-21-12-14-22(15-13-21)38-29-26(28(32)34-19-35-29)27(37-38)20-10-16-24(17-11-20)40-23-8-6-5-7-9-23/h5-11,16-19,21-22H,12-15H2,1-3H3,(H,36,39)(H2,32,34,35)/t21-,22?
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290201
PNG
(US9572811, Example 104A)
Show SMILES CC(C)(N)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C29H27F3N8O2/c1-29(2,35)12-16(13-33)28(41)39-10-4-5-17(39)14-40-27-23(26(34)36-15-37-27)25(38-40)19-9-8-18(11-21(19)31)42-22-7-3-6-20(30)24(22)32/h3,6-9,11-12,15,17H,4-5,10,14,35H2,1-2H3,(H2,34,36,37)/t17-/m1/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197255
PNG
(US9090621, 105A | US9572811, Example 105B)
Show SMILES CNC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C30H29F3N8O2/c1-30(2,36-3)13-17(14-34)29(42)40-11-5-6-18(40)15-41-28-24(27(35)37-16-38-28)26(39-41)20-10-9-19(12-22(20)32)43-23-8-4-7-21(31)25(23)33/h4,7-10,12-13,16,18,36H,5-6,11,15H2,1-3H3,(H2,35,37,38)/t18-/m1/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM60898
PNG
(US9090621, 83B | US9572811, Example 83A)
Show SMILES CNC(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31FN8O2/c1-30(2,34-3)15-19(16-32)29(40)38-13-7-8-20(38)17-39-28-25(27(33)35-18-36-28)26(37-39)23-12-11-22(14-24(23)31)41-21-9-5-4-6-10-21/h4-6,9-12,14-15,18,20,34H,7-8,13,17H2,1-3H3,(H2,33,35,36)/t20-/m0/s1
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n/an/a 1.40n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197257
PNG
(US9090621, 106A | US9572811, Example 106B)
Show SMILES CN(C)C(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C31H31F3N8O2/c1-31(2,40(3)4)14-18(15-35)30(43)41-12-6-7-19(41)16-42-29-25(28(36)37-17-38-29)27(39-42)21-11-10-20(13-23(21)33)44-24-9-5-8-22(32)26(24)34/h5,8-11,13-14,17,19H,6-7,12,16H2,1-4H3,(H2,36,37,38)/t19-/m1/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290169
PNG
(US9572811, Example 72A)
Show SMILES CC(C)(N)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C29H28F2N8O2/c1-29(2,34)13-17(14-32)28(40)38-10-4-6-19(38)15-39-27-24(26(33)35-16-36-27)25(37-39)22-9-8-21(12-23(22)31)41-20-7-3-5-18(30)11-20/h3,5,7-9,11-13,16,19H,4,6,10,15,34H2,1-2H3,(H2,33,35,36)/t19-/m1/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290146
PNG
(US9572811, Example 32A)
Show SMILES CC(C)\C=C(/[N+]#[C-])C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C29H26F3N7O2/c1-16(2)12-22(34-3)29(40)38-11-5-6-17(14-38)39-28-24(27(33)35-15-36-28)26(37-39)19-10-9-18(13-21(19)31)41-23-8-4-7-20(30)25(23)32/h4,7-10,12-13,15-17H,5-6,11,14H2,1-2H3,(H2,33,35,36)/b22-12-/t17-/m1/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290135
PNG
(US9572811, Example 15A)
Show SMILES Nc1ncnc2n(C[C@H]3CCCN3C(=O)C(=CC3CC3)[N+]#[C-])nc(-c3ccc(Oc4cc(F)cc(F)c4)cc3)c12
Show InChI InChI=1S/C29H25F2N7O2/c1-33-24(11-17-4-5-17)29(39)37-10-2-3-21(37)15-38-28-25(27(32)34-16-35-28)26(36-38)18-6-8-22(9-7-18)40-23-13-19(30)12-20(31)14-23/h6-9,11-14,16-17,21H,2-5,10,15H2,(H2,32,34,35)/t21-/m1/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290143
PNG
(US9572811, Example 30A)
Show SMILES CN(C)C(C)(C)\C=C(\C#N)C(=O)N1CCC[C@H]1Cn1c(C)c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C33H37N7O2/c1-22-28(23-13-15-27(16-14-23)42-26-11-7-6-8-12-26)29-30(35)36-21-37-31(29)40(22)20-25-10-9-17-39(25)32(41)24(19-34)18-33(2,3)38(4)5/h6-8,11-16,18,21,25H,9-10,17,20H2,1-5H3,(H2,35,36,37)/b24-18-/t25-/m0/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290140
PNG
(US9572811, Example 22A | US9572811, Example 22B)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3F)c12)[C@@H]1CCCN(C1)C(=O)C(=CC1CC1)[N+]#[C-]
Show InChI InChI=1S/C29H26FN7O2/c1-32-24(14-18-9-10-18)29(38)36-13-5-6-19(16-36)37-28-25(27(31)33-17-34-28)26(35-37)22-12-11-21(15-23(22)30)39-20-7-3-2-4-8-20/h2-4,7-8,11-12,14-15,17-19H,5-6,9-10,13,16H2,(H2,31,33,34)/t19-/m1/s1
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n/an/a 1.80n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197217
PNG
(US9090621, 88B | US9572811, Example 43A)
Show SMILES COCCNC(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C32H35FN8O3/c1-32(2,38-13-15-43-3)17-21(18-34)31(42)40-14-7-8-22(40)19-41-30-27(29(35)36-20-37-30)28(39-41)25-12-11-24(16-26(25)33)44-23-9-5-4-6-10-23/h4-6,9-12,16-17,20,22,38H,7-8,13-15,19H2,1-3H3,(H2,35,36,37)/t22-/m0/s1
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n/an/a 1.80n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197260
PNG
(US9090621, 125A | US9572811, Example 125)
Show SMILES CC(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C30H30FN7O2/c1-30(2,3)15-19(16-32)29(39)37-13-7-8-20(17-37)38-28-25(27(33)34-18-35-28)26(36-38)23-12-11-22(14-24(23)31)40-21-9-5-4-6-10-21/h4-6,9-12,14-15,18,20H,7-8,13,17H2,1-3H3,(H2,33,34,35)/t20-/m1/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290144
PNG
(US9572811, Example 31A)
Show SMILES CC(C)(N)C=C([N+]#[C-])C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C29H29FN8O2/c1-29(2,32)15-23(33-3)28(39)37-13-7-8-18(37)16-38-27-24(26(31)34-17-35-27)25(36-38)21-12-11-20(14-22(21)30)40-19-9-5-4-6-10-19/h4-6,9-12,14-15,17-18H,7-8,13,16,32H2,1-2H3,(H2,31,34,35)/t18-/m1/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197228
PNG
(US9090621, 197B | US9572811, Example 54A)
Show SMILES CC1(COC1)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C30H28FN7O3/c1-30(16-40-17-30)13-19(14-32)29(39)37-11-5-6-20(37)15-38-28-25(27(33)34-18-35-28)26(36-38)23-10-9-22(12-24(23)31)41-21-7-3-2-4-8-21/h2-4,7-10,12-13,18,20H,5-6,11,15-17H2,1H3,(H2,33,34,35)/t20-/m0/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290199
PNG
(US9572811, Example 102A)
Show SMILES CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C29H26F3N7O2/c1-16(2)11-17(13-33)29(40)38-10-4-5-18(38)14-39-28-24(27(34)35-15-36-28)26(37-39)20-9-8-19(12-22(20)31)41-23-7-3-6-21(30)25(23)32/h3,6-9,11-12,15-16,18H,4-5,10,14H2,1-2H3,(H2,34,35,36)/t18-/m1/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197270
PNG
(US9090621, 183B | US9572811, Example 182B)
Show SMILES CC(C)C=C(C#N)C(=O)N[C@H](C)Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C27H26FN7O2/c1-16(2)11-18(13-29)27(36)33-17(3)14-35-26-23(25(30)31-15-32-26)24(34-35)21-10-9-20(12-22(21)28)37-19-7-5-4-6-8-19/h4-12,15-17H,14H2,1-3H3,(H,33,36)(H2,30,31,32)/t17-/m1/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290206
PNG
(US9572811, Example 124A)
Show SMILES CC(C)C=C(C#N)C(=O)N1CCC[C@@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C29H28FN7O2/c1-18(2)13-19(15-31)29(38)36-12-6-7-20(16-36)37-28-25(27(32)33-17-34-28)26(35-37)23-11-10-22(14-24(23)30)39-21-8-4-3-5-9-21/h3-5,8-11,13-14,17-18,20H,6-7,12,16H2,1-2H3,(H2,32,33,34)/t20-/m0/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290136
PNG
(US9572811, Example 17A)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cccc(F)c4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(=CC1CC1)[N+]#[C-]
Show InChI InChI=1S/C29H26FN7O2/c1-32-24(14-18-7-8-18)29(38)36-13-3-5-21(16-36)37-28-25(27(31)33-17-34-28)26(35-37)19-9-11-22(12-10-19)39-23-6-2-4-20(30)15-23/h2,4,6,9-12,14-15,17-18,21H,3,5,7-8,13,16H2,(H2,31,33,34)/t21-/m1/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197205
PNG
(US9090621, 74B | US9090621, 82A | US9572811, Examp...)
Show SMILES CC(C)(N)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C29H29FN8O2/c1-29(2,33)14-18(15-31)28(39)37-12-6-7-19(37)16-38-27-24(26(32)34-17-35-27)25(36-38)22-11-10-21(13-23(22)30)40-20-8-4-3-5-9-20/h3-5,8-11,13-14,17,19H,6-7,12,16,33H2,1-2H3,(H2,32,34,35)/t19-/m1/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290138
PNG
(US9572811, Example 18A)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cccc(F)c4F)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(=CC1CC1)[N+]#[C-]
Show InChI InChI=1S/C29H25F2N7O2/c1-33-22(14-17-7-8-17)29(39)37-13-3-4-19(15-37)38-28-24(27(32)34-16-35-28)26(36-38)18-9-11-20(12-10-18)40-23-6-2-5-21(30)25(23)31/h2,5-6,9-12,14,16-17,19H,3-4,7-8,13,15H2,(H2,32,34,35)/t19-/m1/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290140
PNG
(US9572811, Example 22A | US9572811, Example 22B)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3F)c12)[C@@H]1CCCN(C1)C(=O)C(=CC1CC1)[N+]#[C-]
Show InChI InChI=1S/C29H26FN7O2/c1-32-24(14-18-9-10-18)29(38)36-13-5-6-19(16-36)37-28-25(27(31)33-17-34-28)26(35-37)22-12-11-21(15-23(22)30)39-20-7-3-2-4-8-20/h2-4,7-8,11-12,14-15,17-19H,5-6,9-10,13,16H2,(H2,31,33,34)/t19-/m1/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290228
PNG
((S)-2-(2-((4-amino-6-methyl-5-(4-phenoxyphenyl)-7H...)
Show SMILES Cc1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc2n1C[C@@H]1CCCN1C(=O)C(=CC1CC1)C#N
Show InChI InChI=1S/C31H30N6O2/c1-20-27(22-11-13-26(14-12-22)39-25-7-3-2-4-8-25)28-29(33)34-19-35-30(28)37(20)18-24-6-5-15-36(24)31(38)23(17-32)16-21-9-10-21/h2-4,7-8,11-14,16,19,21,24H,5-6,9-10,15,18H2,1H3,(H2,33,34,35)/t24-/m0/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197216
PNG
(US9090621, 87B | US9572811, Example 42A)
Show SMILES CC(C)(NC1CC1)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C32H33FN8O2/c1-32(2,38-21-10-11-21)16-20(17-34)31(42)40-14-6-7-22(40)18-41-30-27(29(35)36-19-37-30)28(39-41)25-13-12-24(15-26(25)33)43-23-8-4-3-5-9-23/h3-5,8-9,12-13,15-16,19,21-22,38H,6-7,10-11,14,18H2,1-2H3,(H2,35,36,37)/t22-/m0/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197200
PNG
(US9090621, 79B | US9572811, Example 79B)
Show SMILES Nc1ncnc2n(C[C@@H]3CC(F)(F)CN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4ccccc4)cc3F)c12
Show InChI InChI=1S/C29H24F3N7O2/c30-23-11-21(41-20-4-2-1-3-5-20)8-9-22(23)25-24-26(34)35-16-36-27(24)39(37-25)14-19-12-29(31,32)15-38(19)28(40)18(13-33)10-17-6-7-17/h1-5,8-11,16-17,19H,6-7,12,14-15H2,(H2,34,35,36)/t19-/m0/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290214
PNG
(US9572811, Example 175A)
Show SMILES CN(C)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C32H35N7O2/c1-32(2,37(3)4)17-23(18-33)31(40)39-16-8-9-24(39)19-38-20-27(28-29(34)35-21-36-30(28)38)22-12-14-26(15-13-22)41-25-10-6-5-7-11-25/h5-7,10-15,17,20-21,24H,8-9,16,19H2,1-4H3,(H2,34,35,36)/t24-/m0/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290208
PNG
(US9572811, Example 126A)
Show SMILES CC(C)(N)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C29H29FN8O2/c1-29(2,33)14-18(15-31)28(39)37-12-6-7-19(16-37)38-27-24(26(32)34-17-35-27)25(36-38)22-11-10-21(13-23(22)30)40-20-8-4-3-5-9-20/h3-5,8-11,13-14,17,19H,6-7,12,16,33H2,1-2H3,(H2,32,34,35)/t19-/m1/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197223
PNG
(US9090621, 59B | US9572811, Example 44B)
Show SMILES Nc1ncnc2n(C[C@@H]3CCCN3C(=O)C(=CC3CC3)C#N)cc(-c3ccc(Oc4ccccc4)cc3F)c12
Show InChI InChI=1S/C30H27FN6O2/c31-26-14-23(39-22-6-2-1-3-7-22)10-11-24(26)25-17-36(29-27(25)28(33)34-18-35-29)16-21-5-4-12-37(21)30(38)20(15-32)13-19-8-9-19/h1-3,6-7,10-11,13-14,17-19,21H,4-5,8-9,12,16H2,(H2,33,34,35)/t21-/m0/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197271
PNG
(US9090621, 184B | US9572811, Example 183B)
Show SMILES CCOC(C)(C)C=C(C#N)C(=O)N[C@H](C)Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C29H30FN7O3/c1-5-39-29(3,4)14-19(15-31)28(38)35-18(2)16-37-27-24(26(32)33-17-34-27)25(36-37)22-12-11-21(13-23(22)30)40-20-9-7-6-8-10-20/h6-14,17-18H,5,16H2,1-4H3,(H,35,38)(H2,32,33,34)/t18-/m1/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197176
PNG
(US9090621, 1 | US9572811, Example 1)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C(=CC1CC1)C#N
Show InChI InChI=1S/C29H27N7O2/c30-16-21(15-19-8-9-19)29(37)35-14-4-5-22(17-35)36-28-25(27(31)32-18-33-28)26(34-36)20-10-12-24(13-11-20)38-23-6-2-1-3-7-23/h1-3,6-7,10-13,15,18-19,22H,4-5,8-9,14,17H2,(H2,31,32,33)
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n/an/a 3.10n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197220
PNG
(BDBM197237 | US9090621, 95B | US9572811, Example 9...)
Show SMILES CC(C)(C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCOCC1
Show InChI InChI=1S/C33H35FN8O3/c1-33(2,40-13-15-44-16-14-40)18-22(19-35)32(43)41-12-6-7-23(41)20-42-31-28(30(36)37-21-38-31)29(39-42)26-11-10-25(17-27(26)34)45-24-8-4-3-5-9-24/h3-5,8-11,17-18,21,23H,6-7,12-16,20H2,1-2H3,(H2,36,37,38)/t23-/m0/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197250
PNG
(US9090621, 85A | US9572811, Example 41A)
Show SMILES CCNC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C31H33FN8O2/c1-4-37-31(2,3)16-20(17-33)30(41)39-14-8-9-21(39)18-40-29-26(28(34)35-19-36-29)27(38-40)24-13-12-23(15-25(24)32)42-22-10-6-5-7-11-22/h5-7,10-13,15-16,19,21,37H,4,8-9,14,18H2,1-3H3,(H2,34,35,36)/t21-/m1/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290160
PNG
(US9572811, Example 56A)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3F)c12)[C@@H]1CCCN(C1)C(=O)C(=CC1CC1)C#N
Show InChI InChI=1S/C30H27FN6O2/c31-26-14-23(39-22-6-2-1-3-7-22)10-11-24(26)25-17-37(29-27(25)28(33)34-18-35-29)21-5-4-12-36(16-21)30(38)20(15-32)13-19-8-9-19/h1-3,6-7,10-11,13-14,17-19,21H,4-5,8-9,12,16H2,(H2,33,34,35)/t21-/m1/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290188
PNG
(US9572811, Example 84A | US9572811, Example 84B)
Show SMILES CNC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31FN8O2/c1-30(2,34-3)15-19(16-32)29(40)38-13-7-8-20(38)17-39-28-25(27(33)35-18-36-28)26(37-39)23-12-11-22(14-24(23)31)41-21-9-5-4-6-10-21/h4-6,9-12,14-15,18,20,34H,7-8,13,17H2,1-3H3,(H2,33,35,36)/t20-/m1/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290126
PNG
(2-((R)-3-(4-amino-3-(4-(3,4-dichlorophenoxy)-3-met...)
Show SMILES COc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)-c1nn(C2CCCN(C2)C(=O)C(=CC2CC2)[N+]#[C-])c2ncnc(N)c12
Show InChI InChI=1S/C30H27Cl2N7O3/c1-34-23(12-17-5-6-17)30(40)38-11-3-4-19(15-38)39-29-26(28(33)35-16-36-29)27(37-39)18-7-10-24(25(13-18)41-2)42-20-8-9-21(31)22(32)14-20/h7-10,12-14,16-17,19H,3-6,11,15H2,2H3,(H2,33,35,36)
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290221
PNG
(US9572811, Example 186)
Show SMILES Nc1ncnc2n(C[C@H]3CCCN3C(=O)C(=C[C@H]3CCCN3)C#N)nc(-c3ccc(Oc4ccccc4)cc3F)c12
Show InChI InChI=1S/C30H29FN8O2/c31-25-15-23(41-22-8-2-1-3-9-22)10-11-24(25)27-26-28(33)35-18-36-29(26)39(37-27)17-21-7-5-13-38(21)30(40)19(16-32)14-20-6-4-12-34-20/h1-3,8-11,14-15,18,20-21,34H,4-7,12-13,17H2,(H2,33,35,36)/t20-,21-/m1/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197213
PNG
(US9090621, 67 | US9572811, Example 67)
Show SMILES CC(C)(CNC(=O)C(=CC1CC1)C#N)Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C29H29N7O2/c1-29(2,16-32-28(37)21(15-30)14-19-8-9-19)17-36-27-24(26(31)33-18-34-27)25(35-36)20-10-12-23(13-11-20)38-22-6-4-3-5-7-22/h3-7,10-14,18-19H,8-9,16-17H2,1-2H3,(H,32,37)(H2,31,33,34)/b21-14+
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290141
PNG
(US9572811, Example 27A | US9572811, Example 27B)
Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(=CC1CC1)[N+]#[C-]
Show InChI InChI=1S/C30H28N6O2/c1-32-26(16-20-9-10-20)30(37)35-15-5-6-22(17-35)36-18-25(27-28(31)33-19-34-29(27)36)21-11-13-24(14-12-21)38-23-7-3-2-4-8-23/h2-4,7-8,11-14,16,18-20,22H,5-6,9-10,15,17H2,(H2,31,33,34)/t22-/m1/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290177
PNG
(US9572811, Example 80B)
Show SMILES CC(C)C=C(C#N)C(=O)N1CC(F)(F)C[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C29H26F3N7O2/c1-17(2)10-18(13-33)28(40)38-15-29(31,32)12-19(38)14-39-27-24(26(34)35-16-36-27)25(37-39)22-9-8-21(11-23(22)30)41-20-6-4-3-5-7-20/h3-11,16-17,19H,12,14-15H2,1-2H3,(H2,34,35,36)/t19-/m0/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197267
PNG
(US9090621, 180A | US9572811, Example 180B)
Show SMILES CCN(CC)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C34H39N7O2/c1-5-40(6-2)34(3,4)19-25(20-35)33(42)41-18-10-11-26(41)21-39-22-29(30-31(36)37-23-38-32(30)39)24-14-16-28(17-15-24)43-27-12-8-7-9-13-27/h7-9,12-17,19,22-23,26H,5-6,10-11,18,21H2,1-4H3,(H2,36,37,38)/t26-/m0/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290147
PNG
(US9572811, Example 37A)
Show SMILES Nc1ncnc2n(C[C@H]3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4cccc(F)c4F)cc3F)c12
Show InChI InChI=1S/C29H24F3N7O2/c30-21-4-1-5-23(25(21)32)41-19-8-9-20(22(31)12-19)26-24-27(34)35-15-36-28(24)39(37-26)14-18-3-2-10-38(18)29(40)17(13-33)11-16-6-7-16/h1,4-5,8-9,11-12,15-16,18H,2-3,6-7,10,14H2,(H2,34,35,36)/t18-/m1/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290145
PNG
(US9572811, Example 36A)
Show SMILES CN(CCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)C(=O)C(=CC1CC1)C#N
Show InChI InChI=1S/C27H25N7O2/c1-33(27(35)20(16-28)15-18-7-8-18)13-14-34-26-23(25(29)30-17-31-26)24(32-34)19-9-11-22(12-10-19)36-21-5-3-2-4-6-21/h2-6,9-12,15,17-18H,7-8,13-14H2,1H3,(H2,29,30,31)
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197209
PNG
(US9090621, 34 | US9572811, Example 35A)
Show SMILES Nc1ncnc2n(CCNC(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4ccccc4)cc3)c12
Show InChI InChI=1S/C26H23N7O2/c27-15-19(14-17-6-7-17)26(34)29-12-13-33-25-22(24(28)30-16-31-25)23(32-33)18-8-10-21(11-9-18)35-20-4-2-1-3-5-20/h1-5,8-11,14,16-17H,6-7,12-13H2,(H,29,34)(H2,28,30,31)/b19-14+
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197245
PNG
(US9090621, 81A | US9572811, Example 81A)
Show SMILES CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C29H28FN7O2/c1-18(2)13-19(15-31)29(38)36-12-6-7-20(36)16-37-28-25(27(32)33-17-34-28)26(35-37)23-11-10-22(14-24(23)30)39-21-8-4-3-5-9-21/h3-5,8-11,13-14,17-18,20H,6-7,12,16H2,1-2H3,(H2,32,33,34)/t20-/m1/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197275
PNG
(US9090621, 27B | US9572811, Example 34)
Show SMILES Nc1ncnc2n(C[C@@H]3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4ccccc4)cc3F)c12
Show InChI InChI=1S/C29H26FN7O2/c30-24-14-22(39-21-6-2-1-3-7-21)10-11-23(24)26-25-27(32)33-17-34-28(25)37(35-26)16-20-5-4-12-36(20)29(38)19(15-31)13-18-8-9-18/h1-3,6-7,10-11,13-14,17-18,20H,4-5,8-9,12,16H2,(H2,32,33,34)/t20-/m0/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197272
PNG
(US9090621, 185B | US9572811, Example 184B)
Show SMILES C[C@H](Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)NC(=O)C(=CC(C)(C)N(C)C)C#N
Show InChI InChI=1S/C29H31FN8O2/c1-18(35-28(39)19(15-31)14-29(2,3)37(4)5)16-38-27-24(26(32)33-17-34-27)25(36-38)22-12-11-21(13-23(22)30)40-20-9-7-6-8-10-20/h6-14,17-18H,16H2,1-5H3,(H,35,39)(H2,32,33,34)/t18-/m1/s1
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PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197223
PNG
(US9090621, 59B | US9572811, Example 44B)
Show SMILES Nc1ncnc2n(C[C@@H]3CCCN3C(=O)C(=CC3CC3)C#N)cc(-c3ccc(Oc4ccccc4)cc3F)c12
Show InChI InChI=1S/C30H27FN6O2/c31-26-14-23(39-22-6-2-1-3-7-22)10-11-24(26)25-17-36(29-27(25)28(33)34-18-35-29)16-21-5-4-12-37(21)30(38)20(15-32)13-19-8-9-19/h1-3,6-7,10-11,13-14,17-19,21H,4-5,8-9,12,16H2,(H2,33,34,35)/t21-/m0/s1
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n/an/a 5n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197203
PNG
(US9090621, 69A | US9572811, Example 69A)
Show SMILES Cc1cc(Oc2ccccc2)ccc1-c1nn(C[C@@H]2CCCN2C(=O)C(=CC2CC2)C#N)c2ncnc(N)c12
Show InChI InChI=1S/C30H29N7O2/c1-19-14-24(39-23-7-3-2-4-8-23)11-12-25(19)27-26-28(32)33-18-34-29(26)37(35-27)17-22-6-5-13-36(22)30(38)21(16-31)15-20-9-10-20/h2-4,7-8,11-12,14-15,18,20,22H,5-6,9-10,13,17H2,1H3,(H2,32,33,34)/t22-/m0/s1
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n/an/a 5n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290131
PNG
(Preparation of (R)—N-(4-(4-amino-1-(1-(2-cyan...)
Show SMILES CC(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C32H31F3N8O2/c1-31(2,3)15-21(16-36)30(45)42-14-4-5-24(17-42)43-28-25(27(37)38-18-39-28)26(41-43)19-8-12-23(13-9-19)40-29(44)20-6-10-22(11-7-20)32(33,34)35/h6-13,15,18,24H,4-5,14,17H2,1-3H3,(H,40,44)(H2,37,38,39)/t24-/m1/s1
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n/an/a 5.40n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197246
PNG
(US9090621, 81B | US9572811, Example 81B)
Show SMILES CC(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C29H28FN7O2/c1-18(2)13-19(15-31)29(38)36-12-6-7-20(36)16-37-28-25(27(32)33-17-34-28)26(35-37)23-11-10-22(14-24(23)30)39-21-8-4-3-5-9-21/h3-5,8-11,13-14,17-18,20H,6-7,12,16H2,1-2H3,(H2,32,33,34)/t20-/m0/s1
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n/an/a 5.90n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290200
PNG
(US9572811, Example 102B)
Show SMILES CC(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C29H26F3N7O2/c1-16(2)11-17(13-33)29(40)38-10-4-5-18(38)14-39-28-24(27(34)35-15-36-28)26(37-39)20-9-8-19(12-22(20)31)41-23-7-3-6-21(30)25(23)32/h3,6-9,11-12,15-16,18H,4-5,10,14H2,1-2H3,(H2,34,35,36)/t18-/m0/s1
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n/an/a 6n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290223
PNG
(US9572811, Example 195)
Show SMILES C[C@@H](Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)NC(=O)C(=CC(C)(C)N)C#N
Show InChI InChI=1S/C27H27FN8O2/c1-16(34-26(37)17(13-29)12-27(2,3)31)14-36-25-22(24(30)32-15-33-25)23(35-36)20-10-9-19(11-21(20)28)38-18-7-5-4-6-8-18/h4-12,15-16H,14,31H2,1-3H3,(H,34,37)(H2,30,32,33)/t16-/m0/s1
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n/an/a 6n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290205
PNG
(US9572811, Example 106A)
Show SMILES CCNC(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C31H31F3N8O2/c1-4-39-31(2,3)14-18(15-35)30(43)41-12-6-7-19(41)16-42-29-25(28(36)37-17-38-29)27(40-42)21-11-10-20(13-23(21)33)44-24-9-5-8-22(32)26(24)34/h5,8-11,13-14,17,19,39H,4,6-7,12,16H2,1-3H3,(H2,36,37,38)/t19-/m0/s1
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n/an/a 6n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290137
PNG
(US9572811, Example 24A)
Show SMILES CC(C)(N)C=C([N+]#[C-])C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C29H28F2N8O2/c1-29(2,33)14-23(34-3)28(40)38-11-5-7-18(38)15-39-27-24(26(32)35-16-36-27)25(37-39)21-10-9-20(13-22(21)31)41-19-8-4-6-17(30)12-19/h4,6,8-10,12-14,16,18H,5,7,11,15,33H2,1-2H3,(H2,32,35,36)/t18-/m0/s1
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n/an/a 6.20n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290212
PNG
(US9572811, Example 171B)
Show SMILES CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1cc(-c2ccc(Oc3cccc(F)c3F)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C30H28F2N6O2/c1-18(2)13-20(14-33)30(39)38-12-4-5-21(38)15-37-16-23(26-28(34)35-17-36-29(26)37)19-8-10-22(11-9-19)40-25-7-3-6-24(31)27(25)32/h3,6-11,13,16-18,21H,4-5,12,15H2,1-2H3,(H2,34,35,36)/t21-/m1/s1
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n/an/a 7n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290182
PNG
(US9572811, Example 76B)
Show SMILES CC(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C29H27F2N7O2/c1-17(2)13-19(14-32)29(39)37-12-4-5-20(37)15-38-28-24(27(33)34-16-35-28)26(36-38)18-8-10-21(11-9-18)40-23-7-3-6-22(30)25(23)31/h3,6-11,13,16-17,20H,4-5,12,15H2,1-2H3,(H2,33,34,35)/t20-/m0/s1
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n/an/a 7n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290174
PNG
(US9572811, Example 77B)
Show SMILES CN(C)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1c(C)c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C33H37N7O2/c1-22-28(23-13-15-27(16-14-23)42-26-11-7-6-8-12-26)29-30(35)36-21-37-31(29)40(22)20-25-10-9-17-39(25)32(41)24(19-34)18-33(2,3)38(4)5/h6-8,11-16,18,21,25H,9-10,17,20H2,1-5H3,(H2,35,36,37)/t25-/m0/s1
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n/an/a 7n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290209
PNG
(US9572811, Example 133A)
Show SMILES CCOC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C31H32FN7O3/c1-4-41-31(2,3)16-20(17-33)30(40)38-14-8-9-21(18-38)39-29-26(28(34)35-19-36-29)27(37-39)24-13-12-23(15-25(24)32)42-22-10-6-5-7-11-22/h5-7,10-13,15-16,19,21H,4,8-9,14,18H2,1-3H3,(H2,34,35,36)/t21-/m0/s1
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n/an/a 7n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290176
PNG
(US9572811, Example 71A)
Show SMILES CC(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3cc(F)ccc3F)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C29H27F2N7O2/c1-17(2)12-19(14-32)29(39)37-11-3-4-21(37)15-38-28-25(27(33)34-16-35-28)26(36-38)18-5-8-22(9-6-18)40-24-13-20(30)7-10-23(24)31/h5-10,12-13,16-17,21H,3-4,11,15H2,1-2H3,(H2,33,34,35)/t21-/m1/s1
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n/an/a 7n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197213
PNG
(US9090621, 67 | US9572811, Example 67)
Show SMILES CC(C)(CNC(=O)C(=CC1CC1)C#N)Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C29H29N7O2/c1-29(2,16-32-28(37)21(15-30)14-19-8-9-19)17-36-27-24(26(31)33-18-34-27)25(35-36)20-10-12-23(13-11-20)38-22-6-4-3-5-7-22/h3-7,10-14,18-19H,8-9,16-17H2,1-2H3,(H,32,37)(H2,31,33,34)/b21-14+
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n/an/a 7.10n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290211
PNG
(US9572811, Example 156A)
Show SMILES CCOC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H](C1)n1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C31H30F3N7O3/c1-4-43-31(2,3)14-18(15-35)30(42)40-12-6-7-19(16-40)41-29-25(28(36)37-17-38-29)27(39-41)21-11-10-20(13-23(21)33)44-24-9-5-8-22(32)26(24)34/h5,8-11,13-14,17,19H,4,6-7,12,16H2,1-3H3,(H2,36,37,38)/t19-/m0/s1
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n/an/a 7.30n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290184
PNG
(US9572811, Example 78B)
Show SMILES CC(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3c(F)cccc3F)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C29H26F3N7O2/c1-16(2)11-17(13-33)29(40)38-10-4-5-18(38)14-39-28-24(27(34)35-15-36-28)25(37-39)20-9-8-19(12-23(20)32)41-26-21(30)6-3-7-22(26)31/h3,6-9,11-12,15-16,18H,4-5,10,14H2,1-2H3,(H2,34,35,36)/t18-/m0/s1
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n/an/a 7.5n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290178
PNG
(US9572811, Example 74B)
Show SMILES CC(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C30H30FN7O2/c1-30(2,3)15-19(16-32)29(39)37-13-7-8-20(37)17-38-28-25(27(33)34-18-35-28)26(36-38)23-12-11-22(14-24(23)31)40-21-9-5-4-6-10-21/h4-6,9-12,14-15,18,20H,7-8,13,17H2,1-3H3,(H2,33,34,35)/t20-/m0/s1
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n/an/a 8n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290139
PNG
(US9572811, Example 25A | US9572811, Example 25B)
Show SMILES CNC(C)(C)C=C([N+]#[C-])C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31FN8O2/c1-30(2,34-4)16-24(33-3)29(40)38-14-8-9-19(38)17-39-28-25(27(32)35-18-36-28)26(37-39)22-13-12-21(15-23(22)31)41-20-10-6-5-7-11-20/h5-7,10-13,15-16,18-19,34H,8-9,14,17H2,1-2,4H3,(H2,32,35,36)/t19-/m0/s1
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n/an/a 9.60n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197202
PNG
(US9090621, 2 | US9572811, Example 57B)
Show SMILES Nc1ncnc2n(C[C@@H]3CCCN3C(=O)C(=CC3CC3)C#N)cc(-c3ccc(Oc4ccccc4)cc3)c12
Show InChI InChI=1S/C30H28N6O2/c31-16-22(15-20-8-9-20)30(37)36-14-4-5-23(36)17-35-18-26(27-28(32)33-19-34-29(27)35)21-10-12-25(13-11-21)38-24-6-2-1-3-7-24/h1-3,6-7,10-13,15,18-20,23H,4-5,8-9,14,17H2,(H2,32,33,34)/t23-/m0/s1
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n/an/a 10n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290172
PNG
(US9572811, Example 73B)
Show SMILES CC(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C29H27F2N7O2/c1-17(2)11-18(14-32)29(39)37-10-4-6-20(37)15-38-28-25(27(33)34-16-35-28)26(36-38)23-9-8-22(13-24(23)31)40-21-7-3-5-19(30)12-21/h3,5,7-9,11-13,16-17,20H,4,6,10,15H2,1-2H3,(H2,33,34,35)/t20-/m0/s1
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n/an/a 11n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290219
PNG
(US9572811, Example 185B)
Show SMILES C[C@@H](Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)NC(=O)C(=CC(C)(C)N(C)C)C#N
Show InChI InChI=1S/C29H31FN8O2/c1-18(35-28(39)19(15-31)14-29(2,3)37(4)5)16-38-27-24(26(32)33-17-34-27)25(36-38)22-12-11-21(13-23(22)30)40-20-9-7-6-8-10-20/h6-14,17-18H,16H2,1-5H3,(H,35,39)(H2,32,33,34)/t18-/m0/s1
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n/an/a 11n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290166
PNG
(US9572811, Example 70A)
Show SMILES Nc1ncnc2n(C[C@H]3CCCN3C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4ccccc4)cc3Cl)c12
Show InChI InChI=1S/C29H26ClN7O2/c30-24-14-22(39-21-6-2-1-3-7-21)10-11-23(24)26-25-27(32)33-17-34-28(25)37(35-26)16-20-5-4-12-36(20)29(38)19(15-31)13-18-8-9-18/h1-3,6-7,10-11,13-14,17-18,20H,4-5,8-9,12,16H2,(H2,32,33,34)/t20-/m1/s1
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n/an/a 11n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197216
PNG
(US9090621, 87B | US9572811, Example 42A)
Show SMILES CC(C)(NC1CC1)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C32H33FN8O2/c1-32(2,38-21-10-11-21)16-20(17-34)31(42)40-14-6-7-22(40)18-41-30-27(29(35)36-19-37-30)28(39-41)25-13-12-24(15-26(25)33)43-23-8-4-3-5-9-23/h3-5,8-9,12-13,15-16,19,21-22,38H,6-7,10-11,14,18H2,1-2H3,(H2,35,36,37)/t22-/m0/s1
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n/an/a 12n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197216
PNG
(US9090621, 87B | US9572811, Example 42A)
Show SMILES CC(C)(NC1CC1)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C32H33FN8O2/c1-32(2,38-21-10-11-21)16-20(17-34)31(42)40-14-6-7-22(40)18-41-30-27(29(35)36-19-37-30)28(39-41)25-13-12-24(15-26(25)33)43-23-8-4-3-5-9-23/h3-5,8-9,12-13,15-16,19,21-22,38H,6-7,10-11,14,18H2,1-2H3,(H2,35,36,37)/t22-/m0/s1
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n/an/a 12n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290133
PNG
((R)-2-(2-((4-amino-3-(4-(3-fluorophenoxy)phenyl)-1...)
Show SMILES Nc1ncnc2n(C[C@H]3CCCN3C(=O)C(=CC3CC3)[N+]#[C-])nc(-c3ccc(Oc4cccc(F)c4)cc3)c12
Show InChI InChI=1S/C29H26FN7O2/c1-32-24(14-18-7-8-18)29(38)36-13-3-5-21(36)16-37-28-25(27(31)33-17-34-28)26(35-37)19-9-11-22(12-10-19)39-23-6-2-4-20(30)15-23/h2,4,6,9-12,14-15,17-18,21H,3,5,7-8,13,16H2,(H2,31,33,34)/t21-/m1/s1
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n/an/a 14n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM60898
PNG
(US9090621, 83B | US9572811, Example 83A)
Show SMILES CNC(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31FN8O2/c1-30(2,34-3)15-19(16-32)29(40)38-13-7-8-20(38)17-39-28-25(27(33)35-18-36-28)26(37-39)23-12-11-22(14-24(23)31)41-21-9-5-4-6-10-21/h4-6,9-12,14-15,18,20,34H,7-8,13,17H2,1-3H3,(H2,33,35,36)/t20-/m0/s1
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US Patent
n/an/a 16n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197202
PNG
(US9090621, 2 | US9572811, Example 57B)
Show SMILES Nc1ncnc2n(C[C@@H]3CCCN3C(=O)C(=CC3CC3)C#N)cc(-c3ccc(Oc4ccccc4)cc3)c12
Show InChI InChI=1S/C30H28N6O2/c31-16-22(15-20-8-9-20)30(37)36-14-4-5-23(36)17-35-18-26(27-28(32)33-19-34-29(27)35)21-10-12-25(13-11-21)38-24-6-2-1-3-7-24/h1-3,6-7,10-13,15,18-20,23H,4-5,8-9,14,17H2,(H2,32,33,34)/t23-/m0/s1
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n/an/a 17n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197251
PNG
(US9090621, 85B | US9572811, Example 85B)
Show SMILES CCNC(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C31H33FN8O2/c1-4-37-31(2,3)16-20(17-33)30(41)39-14-8-9-21(39)18-40-29-26(28(34)35-19-36-29)27(38-40)24-13-12-23(15-25(24)32)42-22-10-6-5-7-11-22/h5-7,10-13,15-16,19,21,37H,4,8-9,14,18H2,1-3H3,(H2,34,35,36)/t21-/m0/s1
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n/an/a 17.2n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290202
PNG
(US9572811, Example 104B)
Show SMILES CC(C)(N)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C29H27F3N8O2/c1-29(2,35)12-16(13-33)28(41)39-10-4-5-17(39)14-40-27-23(26(34)36-15-37-27)25(38-40)19-9-8-18(11-21(19)31)42-22-7-3-6-20(30)24(22)32/h3,6-9,11-12,15,17H,4-5,10,14,35H2,1-2H3,(H2,34,36,37)/t17-/m0/s1
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n/an/a 20n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197255
PNG
(US9090621, 105A | US9572811, Example 105B)
Show SMILES CNC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C30H29F3N8O2/c1-30(2,36-3)13-17(14-34)29(42)40-11-5-6-18(40)15-41-28-24(27(35)37-16-38-28)26(39-41)20-10-9-19(12-22(20)32)43-23-8-4-7-21(31)25(23)33/h4,7-10,12-13,16,18,36H,5-6,11,15H2,1-3H3,(H2,35,37,38)/t18-/m1/s1
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n/an/a 25.5n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197223
PNG
(US9090621, 59B | US9572811, Example 44B)
Show SMILES Nc1ncnc2n(C[C@@H]3CCCN3C(=O)C(=CC3CC3)C#N)cc(-c3ccc(Oc4ccccc4)cc3F)c12
Show InChI InChI=1S/C30H27FN6O2/c31-26-14-23(39-22-6-2-1-3-7-22)10-11-24(26)25-17-36(29-27(25)28(33)34-18-35-29)16-21-5-4-12-37(21)30(38)20(15-32)13-19-8-9-19/h1-3,6-7,10-11,13-14,17-19,21H,4-5,8-9,12,16H2,(H2,33,34,35)/t21-/m0/s1
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n/an/a 26n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197221
PNG
(US9090621, 95A | US9572811, Example 95A)
Show SMILES CC(C)(C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCOCC1
Show InChI InChI=1S/C33H35FN8O3/c1-33(2,40-13-15-44-16-14-40)18-22(19-35)32(43)41-12-6-7-23(41)20-42-31-28(30(36)37-21-38-31)29(39-42)26-11-10-25(17-27(26)34)45-24-8-4-3-5-9-24/h3-5,8-11,17-18,21,23H,6-7,12-16,20H2,1-2H3,(H2,36,37,38)/t23-/m1/s1
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n/an/a 26.5n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197213
PNG
(US9090621, 67 | US9572811, Example 67)
Show SMILES CC(C)(CNC(=O)C(=CC1CC1)C#N)Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C29H29N7O2/c1-29(2,16-32-28(37)21(15-30)14-19-8-9-19)17-36-27-24(26(31)33-18-34-27)25(35-36)20-10-12-23(13-11-20)38-22-6-4-3-5-7-22/h3-7,10-14,18-19H,8-9,16-17H2,1-2H3,(H,32,37)(H2,31,33,34)/b21-14+
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n/an/a 27n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197276
PNG
(US9090621, 72B | US9572811, Example 72B)
Show SMILES CC(C)(N)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C29H28F2N8O2/c1-29(2,34)13-17(14-32)28(40)38-10-4-6-19(38)15-39-27-24(26(33)35-16-36-27)25(37-39)22-9-8-21(12-23(22)31)41-20-7-3-5-18(30)11-20/h3,5,7-9,11-13,16,19H,4,6,10,15,34H2,1-2H3,(H2,33,35,36)/t19-/m0/s1
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n/an/a 28n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197217
PNG
(US9090621, 88B | US9572811, Example 43A)
Show SMILES COCCNC(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C32H35FN8O3/c1-32(2,38-13-15-43-3)17-21(18-34)31(42)40-14-7-8-22(40)19-41-30-27(29(35)36-20-37-30)28(39-41)25-12-11-24(16-26(25)33)44-23-9-5-4-6-10-23/h4-6,9-12,16-17,20,22,38H,7-8,13-15,19H2,1-3H3,(H2,35,36,37)/t22-/m0/s1
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n/an/a 29n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290227
PNG
(US9572811, Example 197B)
Show SMILES C[C@@H](Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)NC(=O)C(=CC1CC1)C#N
Show InChI InChI=1S/C27H24FN7O2/c1-16(33-27(36)18(13-29)11-17-7-8-17)14-35-26-23(25(30)31-15-32-26)24(34-35)21-10-9-20(12-22(21)28)37-19-5-3-2-4-6-19/h2-6,9-12,15-17H,7-8,14H2,1H3,(H,33,36)(H2,30,31,32)/t16-/m0/s1
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n/an/a 32.5n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290163
PNG
(US9572811, Example 63B)
Show SMILES Cc1c(-c2ccc(Oc3cc(F)cc(F)c3)cc2)c2c(N)ncnc2n1C[C@H]1CCCN1C(=O)C(=CC1CC1)C#N
Show InChI InChI=1S/C31H28F2N6O2/c1-18-27(20-6-8-25(9-7-20)41-26-13-22(32)12-23(33)14-26)28-29(35)36-17-37-30(28)39(18)16-24-3-2-10-38(24)31(40)21(15-34)11-19-4-5-19/h6-9,11-14,17,19,24H,2-5,10,16H2,1H3,(H2,35,36,37)/t24-/m1/s1
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n/an/a 33n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290213
PNG
(US9572811, Example 173B)
Show SMILES CN(C)C(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1cc(-c2ccc(Oc3cccc(F)c3F)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C32H33F2N7O2/c1-32(2,39(3)4)15-21(16-35)31(42)41-14-6-7-22(41)17-40-18-24(27-29(36)37-19-38-30(27)40)20-10-12-23(13-11-20)43-26-9-5-8-25(33)28(26)34/h5,8-13,15,18-19,22H,6-7,14,17H2,1-4H3,(H2,36,37,38)/t22-/m1/s1
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n/an/a 34n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197268
PNG
(US9090621, 180B | US9572811, Example 180A)
Show SMILES CCN(CC)C(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C34H39N7O2/c1-5-40(6-2)34(3,4)19-25(20-35)33(42)41-18-10-11-26(41)21-39-22-29(30-31(36)37-23-38-32(30)39)24-14-16-28(17-15-24)43-27-12-8-7-9-13-27/h7-9,12-17,19,22-23,26H,5-6,10-11,18,21H2,1-4H3,(H2,36,37,38)/t26-/m1/s1
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n/an/a 37n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290196
PNG
(US9572811, Example 90A)
Show SMILES Nc1ncnc2n(C[C@H]3CCCN3C(=O)C(=CC3(N)CC3)C#N)nc(-c3ccc(Oc4ccccc4)cc3F)c12
Show InChI InChI=1S/C29H27FN8O2/c30-23-13-21(40-20-6-2-1-3-7-20)8-9-22(23)25-24-26(32)34-17-35-27(24)38(36-25)16-19-5-4-12-37(19)28(39)18(15-31)14-29(33)10-11-29/h1-3,6-9,13-14,17,19H,4-5,10-12,16,33H2,(H2,32,34,35)/t19-/m1/s1
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n/an/a 52n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290165
PNG
(US9572811, Example 65B)
Show SMILES Nc1ncnc2n(CC3CCN(C3)C(=O)C(=CC3CC3)C#N)nc(-c3ccc(Oc4ccccc4)cc3)c12
Show InChI InChI=1S/C29H27N7O2/c30-15-22(14-19-6-7-19)29(37)35-13-12-20(16-35)17-36-28-25(27(31)32-18-33-28)26(34-36)21-8-10-24(11-9-21)38-23-4-2-1-3-5-23/h1-5,8-11,14,18-20H,6-7,12-13,16-17H2,(H2,31,32,33)
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n/an/a 56n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290130
PNG
(2-(2-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4...)
Show SMILES CC(C)(C)C=C([N+]#[C-])C(=O)N1CCCC1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C30H31N7O2/c1-30(2,3)17-24(32-4)29(38)36-16-8-9-21(36)18-37-28-25(27(31)33-19-34-28)26(35-37)20-12-14-23(15-13-20)39-22-10-6-5-7-11-22/h5-7,10-15,17,19,21H,8-9,16,18H2,1-3H3,(H2,31,33,34)
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n/an/a 61n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290180
PNG
(US9572811, Example 75B)
Show SMILES CC(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3c(F)cccc3F)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C29H27F2N7O2/c1-17(2)13-19(14-32)29(39)37-12-4-5-20(37)15-38-28-24(27(33)34-16-35-28)25(36-38)18-8-10-21(11-9-18)40-26-22(30)6-3-7-23(26)31/h3,6-11,13,16-17,20H,4-5,12,15H2,1-2H3,(H2,33,34,35)/t20-/m0/s1
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n/an/a 100n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197277
PNG
(US9090621, 82B | US9572811, Example 82B)
Show SMILES CC(C)(N)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C29H29FN8O2/c1-29(2,33)14-18(15-31)28(39)37-12-6-7-19(37)16-38-27-24(26(32)34-17-35-27)25(36-38)22-11-10-21(13-23(22)30)40-20-8-4-3-5-9-20/h3-5,8-11,13-14,17,19H,6-7,12,16,33H2,1-2H3,(H2,32,34,35)/t19-/m0/s1
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n/an/a 113n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290127
PNG
((R)-2-(3-(4-amino-3-(4-(3,4-dichlorophenoxy)-3-met...)
Show SMILES COc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)-c1nn(C2CCCN(C2)C(=O)C(=CC(C)(C)C)[N+]#[C-])c2ncnc(N)c12
Show InChI InChI=1S/C31H31Cl2N7O3/c1-31(2,3)15-23(35-4)30(41)39-12-6-7-19(16-39)40-29-26(28(34)36-17-37-29)27(38-40)18-8-11-24(25(13-18)42-5)43-20-9-10-21(32)22(33)14-20/h8-11,13-15,17,19H,6-7,12,16H2,1-3,5H3,(H2,34,36,37)
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n/an/a 130n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290139
PNG
(US9572811, Example 25A | US9572811, Example 25B)
Show SMILES CNC(C)(C)C=C([N+]#[C-])C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C30H31FN8O2/c1-30(2,34-4)16-24(33-3)29(40)38-14-8-9-19(38)17-39-28-25(27(32)35-18-36-28)26(37-39)22-13-12-21(15-23(22)31)41-20-10-6-5-7-11-20/h5-7,10-13,15-16,18-19,34H,8-9,14,17H2,1-2,4H3,(H2,32,35,36)/t19-/m0/s1
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n/an/a 140n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290128
PNG
((R)-2-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[...)
Show SMILES CC(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C30H31N7O2/c1-30(2,3)16-21(17-31)29(38)36-15-7-8-22(18-36)37-28-25(27(32)33-19-34-28)26(35-37)20-11-13-24(14-12-20)39-23-9-5-4-6-10-23/h4-6,9-14,16,19,22H,7-8,15,18H2,1-3H3,(H2,32,33,34)/t22-/m1/s1
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n/an/a 175n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197181
PNG
(US9090621, 9 | US9572811, Example 6)
Show SMILES CC(C)(C)C=C(C#N)C(=O)N1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C30H31N7O2/c1-30(2,3)17-21(18-31)29(38)36-15-13-22(14-16-36)37-28-25(27(32)33-19-34-28)26(35-37)20-9-11-24(12-10-20)39-23-7-5-4-6-8-23/h4-12,17,19,22H,13-16H2,1-3H3,(H2,32,33,34)/b21-17+
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n/an/a 365n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM290129
PNG
((R)—N-(4-(4-amino-1-(1-(2-cyano-3-cyclopropyl...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(NC(=O)c4ccc(cc4)C(F)(F)F)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(=CC1CC1)C#N
Show InChI InChI=1S/C31H27F3N8O2/c32-31(33,34)22-9-5-20(6-10-22)29(43)39-23-11-7-19(8-12-23)26-25-27(36)37-17-38-28(25)42(40-26)24-2-1-13-41(16-24)30(44)21(15-35)14-18-3-4-18/h5-12,14,17-18,24H,1-4,13,16H2,(H,39,43)(H2,36,37,38)/t24-/m1/s1
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n/an/a 980n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197252
PNG
(US9090621, 89A | US9572811, Example 89A)
Show SMILES CCOC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C31H32FN7O3/c1-4-41-31(2,3)16-20(17-33)30(40)38-14-8-9-21(38)18-39-29-26(28(34)35-19-36-29)27(37-39)24-13-12-23(15-25(24)32)42-22-10-6-5-7-11-22/h5-7,10-13,15-16,19,21H,4,8-9,14,18H2,1-3H3,(H2,34,35,36)/t21-/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

More data for this
Ligand-Target Pair
TBD


(Homo sapiens (human))
BDBM197253
PNG
(US9090621, 89B | US9572811, Example 89B)
Show SMILES CCOC(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show InChI InChI=1S/C31H32FN7O3/c1-4-41-31(2,3)16-20(17-33)30(40)38-14-8-9-21(38)18-39-29-26(28(34)35-19-36-29)27(37-39)24-13-12-23(15-25(24)32)42-22-10-6-5-7-11-22/h5-7,10-13,15-16,19,21H,4,8-9,14,18H2,1-3H3,(H2,34,35,36)/t21-/m0/s1
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n/an/a 6.60E+3n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of Btk kinase activity of a compound of Formula...


US Patent US9572811 (2017)

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