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Patent code US9266895

Compile Data Set for Download or QSAR
Found 33 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143179
PNG
(US8940744, 4 | US9266895, 4)
Show SMILES CN1CCN(CC1)C(C)(C)C=C([N+]#[C-])C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:10.10|
Show InChI InChI=1S/C34H38FN9O2/c1-34(2,43-17-15-41(4)16-18-43)20-28(37-3)33(45)42-14-8-9-23(21-42)44-32-29(31(36)38-22-39-32)30(40-44)26-13-12-25(19-27(26)35)46-24-10-6-5-7-11-24/h5-7,10-13,19-20,22-23H,8-9,14-18,21H2,1-2,4H3,(H2,36,38,39)/t23-/m1/s1
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n/an/a 0.300n/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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143181
PNG
(US8940744, 6 | US9266895, 6)
Show SMILES CC(C)(C=C([N+]#[C-])C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCNCC1 |r,w:3.2|
Show InChI InChI=1S/C33H36FN9O2/c1-33(2,42-16-13-37-14-17-42)19-27(36-3)32(44)41-15-7-8-22(20-41)43-31-28(30(35)38-21-39-31)29(40-43)25-12-11-24(18-26(25)34)45-23-9-5-4-6-10-23/h4-6,9-12,18-19,21-22,37H,7-8,13-17,20H2,1-2H3,(H2,35,38,39)/t22-/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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143203
PNG
(US11040980, Example 22 | US8940744, 22 | US9266895...)
Show SMILES CC(C)(C)N1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:13.13|
Show InChI InChI=1S/C37H44FN9O2/c1-36(2,3)45-16-18-46(19-17-45)37(4,5)21-25(22-39)35(48)44-15-9-10-26(23-44)47-34-31(33(40)41-24-42-34)32(43-47)29-14-13-28(20-30(29)38)49-27-11-7-6-8-12-27/h6-8,11-14,20-21,24,26H,9-10,15-19,23H2,1-5H3,(H2,40,41,42)/t26-/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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143191
PNG
(US11040980, Example 13 | US8940744, 13 | US9266895...)
Show SMILES CN(C1COC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:9.9|
Show InChI InChI=1S/C33H35FN8O3/c1-33(2,40(3)23-18-44-19-23)15-21(16-35)32(43)41-13-7-8-22(17-41)42-31-28(30(36)37-20-38-31)29(39-42)26-12-11-25(14-27(26)34)45-24-9-5-4-6-10-24/h4-6,9-12,14-15,20,22-23H,7-8,13,17-19H2,1-3H3,(H2,36,37,38)/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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143198
PNG
(US11040980, Example 18 | US8940744, 18 | US9266895...)
Show SMILES CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCC(O)CC1 |r,w:3.2|
Show InChI InChI=1S/C34H37FN8O3/c1-34(2,42-15-12-24(44)13-16-42)18-22(19-36)33(45)41-14-6-7-23(20-41)43-32-29(31(37)38-21-39-32)30(40-43)27-11-10-26(17-28(27)35)46-25-8-4-3-5-9-25/h3-5,8-11,17-18,21,23-24,44H,6-7,12-16,20H2,1-2H3,(H2,37,38,39)/t23-/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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143202
PNG
(US11040980, Example 21 | US8940744, 21 | US9266895...)
Show SMILES CC(C)N1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:12.12|
Show InChI InChI=1S/C36H42FN9O2/c1-24(2)43-15-17-45(18-16-43)36(3,4)20-25(21-38)35(47)44-14-8-9-26(22-44)46-34-31(33(39)40-23-41-34)32(42-46)29-13-12-28(19-30(29)37)48-27-10-6-5-7-11-27/h5-7,10-13,19-20,23-24,26H,8-9,14-18,22H2,1-4H3,(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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143192
PNG
(US11040980, Example 13a | US8940744, 13a | US92668...)
Show SMILES CCN(C1COC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:10.10|
Show InChI InChI=1S/C34H37FN8O3/c1-4-42(24-19-45-20-24)34(2,3)16-22(17-36)33(44)41-14-8-9-23(18-41)43-32-29(31(37)38-21-39-32)30(40-43)27-13-12-26(15-28(27)35)46-25-10-6-5-7-11-25/h5-7,10-13,15-16,21,23-24H,4,8-9,14,18-20H2,1-3H3,(H2,37,38,39)/t23-/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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143182
PNG
(US11040980, Example 7 | US8940744, 7 | US9266895, ...)
Show SMILES CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CC(O)C1 |r,w:3.2|
Show InChI InChI=1S/C32H33FN8O3/c1-32(2,40-17-22(42)18-40)14-20(15-34)31(43)39-12-6-7-21(16-39)41-30-27(29(35)36-19-37-30)28(38-41)25-11-10-24(13-26(25)33)44-23-8-4-3-5-9-23/h3-5,8-11,13-14,19,21-22,42H,6-7,12,16-18H2,1-2H3,(H2,35,36,37)/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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143201
PNG
(US11040980, Example 20 | US8940744, 20 | US9266895...)
Show SMILES CCN1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:11.11|
Show InChI InChI=1S/C35H40FN9O2/c1-4-42-15-17-44(18-16-42)35(2,3)20-24(21-37)34(46)43-14-8-9-25(22-43)45-33-30(32(38)39-23-40-33)31(41-45)28-13-12-27(19-29(28)36)47-26-10-6-5-7-11-26/h5-7,10-13,19-20,23,25H,4,8-9,14-18,22H2,1-3H3,(H2,38,39,40)/t25-/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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143217
PNG
(US8940744, 8A | US9266895, 8A | US9994576, 8A)
Show SMILES CCN1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |w:11.11|
Show InChI InChI=1S/C35H40FN9O2/c1-4-42-15-17-43(18-16-42)35(2,3)20-24(21-37)34(46)44-14-8-9-25(44)22-45-33-30(32(38)39-23-40-33)31(41-45)28-13-12-27(19-29(28)36)47-26-10-6-5-7-11-26/h5-7,10-13,19-20,23,25H,4,8-9,14-18,22H2,1-3H3,(H2,38,39,40)/b24-20+/t25-/m0/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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143204
PNG
(US11040980, Example 23 | US8940744, 23 | US9266895...)
Show SMILES COCCN1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:13.13|
Show InChI InChI=1S/C36H42FN9O3/c1-36(2,45-16-14-43(15-17-45)18-19-48-3)21-25(22-38)35(47)44-13-7-8-26(23-44)46-34-31(33(39)40-24-41-34)32(42-46)29-12-11-28(20-30(29)37)49-27-9-5-4-6-10-27/h4-6,9-12,20-21,24,26H,7-8,13-19,23H2,1-3H3,(H2,39,40,41)/t26-/m1/s1
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n/an/a 1n/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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143205
PNG
(US11040980, Example 24 | US8940744, 24 | US9266895...)
Show SMILES CN1CCN(CC1=O)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:11.11|
Show InChI InChI=1S/C34H36FN9O3/c1-34(2,43-15-14-41(3)28(45)20-43)17-22(18-36)33(46)42-13-7-8-23(19-42)44-32-29(31(37)38-21-39-32)30(40-44)26-12-11-25(16-27(26)35)47-24-9-5-4-6-10-24/h4-6,9-12,16-17,21,23H,7-8,13-15,19-20H2,1-3H3,(H2,37,38,39)/t23-/m1/s1
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n/an/a 1.20n/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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143215
PNG
(US11040980, Example 34 | US8940744, 34 | US9266895...)
Show SMILES CCN1CCN(CC1=O)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:12.12|
Show InChI InChI=1S/C35H38FN9O3/c1-4-42-15-16-44(21-29(42)46)35(2,3)18-23(19-37)34(47)43-14-8-9-24(20-43)45-33-30(32(38)39-22-40-33)31(41-45)27-13-12-26(17-28(27)36)48-25-10-6-5-7-11-25/h5-7,10-13,17-18,22,24H,4,8-9,14-16,20-21H2,1-3H3,(H2,38,39,40)/t24-/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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143216
PNG
(US11040980, Example 35 | US8940744, 35 | US9266895...)
Show SMILES CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCNC(=O)C1 |r,w:3.2|
Show InChI InChI=1S/C33H34FN9O3/c1-33(2,42-14-12-37-27(44)19-42)16-21(17-35)32(45)41-13-6-7-22(18-41)43-31-28(30(36)38-20-39-31)29(40-43)25-11-10-24(15-26(25)34)46-23-8-4-3-5-9-23/h3-5,8-11,15-16,20,22H,6-7,12-14,18-19H2,1-2H3,(H,37,44)(H2,36,38,39)/t22-/m1/s1
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n/an/a 1.30n/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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143206
PNG
(US11040980, Example 25 | US8940744, 25 | US9266895...)
Show SMILES CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCN(CC1)S(C)(=O)=O |r,w:3.2|
Show InChI InChI=1S/C34H38FN9O4S/c1-34(2,42-14-16-43(17-15-42)49(3,46)47)19-23(20-36)33(45)41-13-7-8-24(21-41)44-32-29(31(37)38-22-39-32)30(40-44)27-12-11-26(18-28(27)35)48-25-9-5-4-6-10-25/h4-6,9-12,18-19,22,24H,7-8,13-17,21H2,1-3H3,(H2,37,38,39)/t24-/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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143212
PNG
(US11040980, Example 31 | US8940744, 31 | US9266895...)
Show SMILES CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCN(CC1)C1COC1 |r,w:3.2|
Show InChI InChI=1S/C36H40FN9O3/c1-36(2,45-15-13-43(14-16-45)26-21-48-22-26)18-24(19-38)35(47)44-12-6-7-25(20-44)46-34-31(33(39)40-23-41-34)32(42-46)29-11-10-28(17-30(29)37)49-27-8-4-3-5-9-27/h3-5,8-11,17-18,23,25-26H,6-7,12-16,20-22H2,1-2H3,(H2,39,40,41)/t25-/m1/s1
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n/an/a 1.5n/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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143199
PNG
(US11040980, Example 19 | US8940744, 19 | US9266895...)
Show SMILES CC(C)(\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CC2(COC2)C1 |r|
Show InChI InChI=1S/C34H35FN8O3/c1-33(2,42-17-34(18-42)19-45-20-34)14-22(15-36)32(44)41-12-6-7-23(16-41)43-31-28(30(37)38-21-39-31)29(40-43)26-11-10-25(13-27(26)35)46-24-8-4-3-5-9-24/h3-5,8-11,13-14,21,23H,6-7,12,16-20H2,1-2H3,(H2,37,38,39)/b22-14+/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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143180
PNG
(US11040980, Example 5 | US8940744, 5 | US9266895, ...)
Show SMILES CC(C)(C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCCC1 |r,w:3.2|
Show InChI InChI=1S/C33H35FN8O2/c1-33(2,40-14-6-7-15-40)18-22(19-35)32(43)41-16-8-9-23(41)20-42-31-28(30(36)37-21-38-31)29(39-42)26-13-12-25(17-27(26)34)44-24-10-4-3-5-11-24/h3-5,10-13,17-18,21,23H,6-9,14-16,20H2,1-2H3,(H2,36,37,38)/t23-/m0/s1
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n/an/a 1.90n/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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143213
PNG
(US11040980, Example 32 | US8940744, 32 | US9266895...)
Show SMILES CC(=O)N1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:12.12|
Show InChI InChI=1S/C35H38FN9O3/c1-23(46)42-14-16-44(17-15-42)35(2,3)19-24(20-37)34(47)43-13-7-8-25(21-43)45-33-30(32(38)39-22-40-33)31(41-45)28-12-11-27(18-29(28)36)48-26-9-5-4-6-10-26/h4-6,9-12,18-19,22,25H,7-8,13-17,21H2,1-3H3,(H2,38,39,40)/t25-/m1/s1
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n/an/a 1.90n/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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143214
PNG
(US11040980, Example 33 | US8940744, 33 | US9266895...)
Show SMILES COC(=O)N1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:13.13|
Show InChI InChI=1S/C35H38FN9O4/c1-35(2,44-16-14-42(15-17-44)34(47)48-3)19-23(20-37)33(46)43-13-7-8-24(21-43)45-32-29(31(38)39-22-40-32)30(41-45)27-12-11-26(18-28(27)36)49-25-9-5-4-6-10-25/h4-6,9-12,18-19,22,24H,7-8,13-17,21H2,1-3H3,(H2,38,39,40)/t24-/m1/s1
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n/an/a 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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143185
PNG
(US11040980, Example 10 | US8940744, 10 | US9266895...)
Show SMILES CN(C1COC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:9.9|
Show InChI InChI=1S/C33H35FN8O3/c1-33(2,40(3)23-18-44-19-23)15-21(16-35)32(43)41-13-7-8-22(41)17-42-31-28(30(36)37-20-38-31)29(39-42)26-12-11-25(14-27(26)34)45-24-9-5-4-6-10-24/h4-6,9-12,14-15,20,22-23H,7-8,13,17-19H2,1-3H3,(H2,36,37,38)/t22-/m0/s1
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n/an/a 2.10n/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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143176
PNG
(US11040980, Example 1 | US8940744, 1 | US9266895, ...)
Show SMILES CC1(COC1)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:5.5|
Show InChI InChI=1S/C30H28FN7O3/c1-30(16-40-17-30)13-19(14-32)29(39)37-11-5-6-20(15-37)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-/m1/s1
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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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143183
PNG
(US11040980, Example 8A | US8940744, 8 | US9266895,...)
Show SMILES CN1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:10.10|
Show InChI InChI=1S/C34H38FN9O2/c1-34(2,42-16-14-41(3)15-17-42)19-23(20-36)33(45)43-13-7-8-24(43)21-44-32-29(31(37)38-22-39-32)30(40-44)27-12-11-26(18-28(27)35)46-25-9-5-4-6-10-25/h4-6,9-12,18-19,22,24H,7-8,13-17,21H2,1-3H3,(H2,37,38,39)/t24-/m0/s1
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n/an/a 3.80n/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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143190
PNG
(US11040980, Example 12 | US8940744, 12 | US9266895...)
Show SMILES CC(C)C=C(C#N)C(=O)N1CCC1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |w:3.2|
Show InChI InChI=1S/C28H26FN7O2/c1-17(2)12-18(14-30)28(37)35-11-10-19(35)15-36-27-24(26(31)32-16-33-27)25(34-36)22-9-8-21(13-23(22)29)38-20-6-4-3-5-7-20/h3-9,12-13,16-17,19H,10-11,15H2,1-2H3,(H2,31,32,33)
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n/an/a 4n/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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143195
PNG
(US11040980, Example 15 | US8940744, 15 | US9266895...)
Show SMILES CC(C)(C=C(C#N)C(=O)N1CCC1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCOCC1 |w:3.2|
Show InChI InChI=1S/C32H33FN8O3/c1-32(2,39-12-14-43-15-13-39)17-21(18-34)31(42)40-11-10-22(40)19-41-30-27(29(35)36-20-37-30)28(38-41)25-9-8-24(16-26(25)33)44-23-6-4-3-5-7-23/h3-9,16-17,20,22H,10-15,19H2,1-2H3,(H2,35,36,37)
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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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143177
PNG
(US8940744, 2 | US9266895, 2 | US9994576, 2)
Show SMILES CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCC1 |r,w:3.2|
Show InChI InChI=1S/C32H33FN8O2/c1-32(2,40-14-7-15-40)17-21(18-34)31(42)39-13-6-8-22(19-39)41-30-27(29(35)36-20-37-30)28(38-41)25-12-11-24(16-26(25)33)43-23-9-4-3-5-10-23/h3-5,9-12,16-17,20,22H,6-8,13-15,19H2,1-2H3,(H2,35,36,37)/t22-/m1/s1
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n/an/a 4.10n/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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143184
PNG
(US11040980, Example 9 | US8940744, 9 | US9266895, ...)
Show SMILES CC(C)(C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCNCC1 |r,w:3.2|
Show InChI InChI=1S/C33H36FN9O2/c1-33(2,41-15-12-37-13-16-41)18-22(19-35)32(44)42-14-6-7-23(42)20-43-31-28(30(36)38-21-39-31)29(40-43)26-11-10-25(17-27(26)34)45-24-8-4-3-5-9-24/h3-5,8-11,17-18,21,23,37H,6-7,12-16,20H2,1-2H3,(H2,36,38,39)/t23-/m0/s1
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n/an/a 4.70n/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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143211
PNG
(US11040980, Example 30 | US8940744, 30 | US9266895...)
Show SMILES CC(C)(CN1CCOCC1)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:10.10|
Show InChI InChI=1S/C34H37FN8O3/c1-34(2,21-41-13-15-45-16-14-41)18-23(19-36)33(44)42-12-6-7-24(42)20-43-32-29(31(37)38-22-39-32)30(40-43)27-11-10-26(17-28(27)35)46-25-8-4-3-5-9-25/h3-5,8-11,17-18,22,24H,6-7,12-16,20-21H2,1-2H3,(H2,37,38,39)/t24-/m0/s1
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n/an/a 5.20n/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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM208976
PNG
(US11040980, Example 19a | US9266895, 19a | US99945...)
Show SMILES CC(C)(C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CC2(COC2)C1 |r,w:3.2|
Show InChI InChI=1S/C34H35FN8O3/c1-33(2,41-17-34(18-41)19-45-20-34)14-22(15-36)32(44)42-12-6-7-23(42)16-43-31-28(30(37)38-21-39-31)29(40-43)26-11-10-25(13-27(26)35)46-24-8-4-3-5-9-24/h3-5,8-11,13-14,21,23H,6-7,12,16-20H2,1-2H3,(H2,37,38,39)/t23-/m0/s1
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n/an/a 5.60n/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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143178
PNG
(US8940744, 3 | US9266895, 3 | US9994576, 3)
Show SMILES CC(C)(CO)C=C(C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:5.4|
Show InChI InChI=1S/C30H30FN7O3/c1-30(2,17-39)14-19(15-32)29(40)37-12-6-7-20(16-37)38-28-25(27(33)34-18-35-28)26(36-38)23-11-10-22(13-24(23)31)41-21-8-4-3-5-9-21/h3-5,8-11,13-14,18,20,39H,6-7,12,16-17H2,1-2H3,(H2,33,34,35)/t20-/m1/s1
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n/an/a 8.10n/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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143188
PNG
(US11040980, Example 11 | US8940744, 11 | US9266895...)
Show SMILES CC(C)(NC1COC1)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:8.8|
Show InChI InChI=1S/C32H33FN8O3/c1-32(2,38-21-17-43-18-21)14-20(15-34)31(42)40-12-6-7-22(40)16-41-30-27(29(35)36-19-37-30)28(39-41)25-11-10-24(13-26(25)33)44-23-8-4-3-5-9-23/h3-5,8-11,13-14,19,21-22,38H,6-7,12,16-18H2,1-2H3,(H2,35,36,37)/t22-/m0/s1
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n/an/a 16.1n/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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143194
PNG
(US11040980, Example 14 | US8940744, 14 | US9266895...)
Show SMILES CC(C)C=C(C#N)C(=O)N1CC(Cn2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc23)C1 |w:3.2|
Show InChI InChI=1S/C28H26FN7O2/c1-17(2)10-19(12-30)28(37)35-13-18(14-35)15-36-27-24(26(31)32-16-33-27)25(34-36)22-9-8-21(11-23(22)29)38-20-6-4-3-5-7-20/h3-11,16-18H,13-15H2,1-2H3,(H2,31,32,33)/b19-10-
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n/an/a 20.4n/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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM143193
PNG
(US11040980, Example 13b | US8940744, 13b | US92668...)
Show SMILES CC(C)(C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N(C1CC1)C1COC1 |r,w:3.2|
Show InChI InChI=1S/C35H37FN8O3/c1-35(2,44(23-10-11-23)25-19-46-20-25)16-22(17-37)34(45)42-14-6-7-24(42)18-43-33-30(32(38)39-21-40-33)31(41-43)28-13-12-27(15-29(28)36)47-26-8-4-3-5-9-26/h3-5,8-9,12-13,15-16,21,23-25H,6-7,10-11,14,18-20H2,1-2H3,(H2,38,39,40)/t24-/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 the pre...

US Patent US9266895 (2016)


BindingDB Entry DOI: 10.7270/Q2WD3ZDX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%