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Patent code US9932329

Compile Data Set for Download or QSAR
Found 28 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 ITK/TSK


(Homo sapiens (Human))
BDBM384541
PNG
(N-(1-(((R)-1-acryloylpyrrolidin-2-yl)methyl)-5-(((...)
Show SMILES C[C@@H](CO)NCc1ccc2n(C[C@H]3CCCN3C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1
Show InChI InChI=1S/C27H30N6O4S/c1-3-25(35)32-10-4-5-19(32)14-33-21-7-6-18(12-29-17(2)15-34)11-20(21)30-27(33)31-26(36)24-9-8-23(38-24)22-13-28-16-37-22/h3,6-9,11,13,16-17,19,29,34H,1,4-5,10,12,14-15H2,2H3,(H,30,31,36)/t17-,19+/m0/s1
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PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separa...


US Patent US9932329 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM384539
PNG
(N-(1-(((R)-1-acryloylpyrrolidin-2-yl)methyl)-5-(((...)
Show SMILES CC(C)(C)[C@@H](CO)NCc1ccc2n(C[C@H]3CCCN3C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1
Show InChI InChI=1S/C30H36N6O4S/c1-5-27(38)35-12-6-7-20(35)16-36-22-9-8-19(14-32-26(17-37)30(2,3)4)13-21(22)33-29(36)34-28(39)25-11-10-24(41-25)23-15-31-18-40-23/h5,8-11,13,15,18,20,26,32,37H,1,6-7,12,14,16-17H2,2-4H3,(H,33,34,39)/t20-,26-/m1/s1
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PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separa...


US Patent US9932329 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM384538
PNG
((R)-N-(1-((1-acryloylpyrrolidin-2-yl)methyl)-5-(((...)
Show SMILES C=CC(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)-c2cnco2)nc2cc(CNCC3CC3)ccc12
Show InChI InChI=1S/C28H30N6O3S/c1-2-26(35)33-11-3-4-20(33)16-34-22-8-7-19(14-29-13-18-5-6-18)12-21(22)31-28(34)32-27(36)25-10-9-24(38-25)23-15-30-17-37-23/h2,7-10,12,15,17-18,20,29H,1,3-6,11,13-14,16H2,(H,31,32,36)/t20-/m1/s1
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PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separa...


US Patent US9932329 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM384543
PNG
((R)-N-(1-((1-acryloylpyrrolidin-2-yl)methyl)-5-(((...)
Show SMILES CC(C)(O)CNCc1ccc2n(C[C@H]3CCCN3C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1
Show InChI InChI=1S/C28H32N6O4S/c1-4-25(35)33-11-5-6-19(33)15-34-21-8-7-18(13-29-16-28(2,3)37)12-20(21)31-27(34)32-26(36)24-10-9-23(39-24)22-14-30-17-38-22/h4,7-10,12,14,17,19,29,37H,1,5-6,11,13,15-16H2,2-3H3,(H,31,32,36)/t19-/m1/s1
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PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separa...


US Patent US9932329 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM384542
PNG
(N-(1-(((R)-1-acryloylpyrrolidin-2-yl)methyl)-5-(((...)
Show SMILES C[C@H](CO)NCc1ccc2n(C[C@H]3CCCN3C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1
Show InChI InChI=1S/C27H30N6O4S/c1-3-25(35)32-10-4-5-19(32)14-33-21-7-6-18(12-29-17(2)15-34)11-20(21)30-27(33)31-26(36)24-9-8-23(38-24)22-13-28-16-37-22/h3,6-9,11,13,16-17,19,29,34H,1,4-5,10,12,14-15H2,2H3,(H,30,31,36)/t17-,19-/m1/s1
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PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separa...


US Patent US9932329 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM384540
PNG
(N-(1-(((R)-1-acryloylpyrrolidin-2-yl)methyl)-5-(((...)
Show SMILES CC(C)(C)[C@H](CO)NCc1ccc2n(C[C@H]3CCCN3C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1
Show InChI InChI=1S/C30H36N6O4S/c1-5-27(38)35-12-6-7-20(35)16-36-22-9-8-19(14-32-26(17-37)30(2,3)4)13-21(22)33-29(36)34-28(39)25-11-10-24(41-25)23-15-31-18-40-23/h5,8-11,13,15,18,20,26,32,37H,1,6-7,12,14,16-17H2,2-4H3,(H,33,34,39)/t20-,26+/m1/s1
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PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separa...


US Patent US9932329 (2018)

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


(Homo sapiens (Human))
BDBM384539
PNG
(N-(1-(((R)-1-acryloylpyrrolidin-2-yl)methyl)-5-(((...)
Show SMILES CC(C)(C)[C@@H](CO)NCc1ccc2n(C[C@H]3CCCN3C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1
Show InChI InChI=1S/C30H36N6O4S/c1-5-27(38)35-12-6-7-20(35)16-36-22-9-8-19(14-32-26(17-37)30(2,3)4)13-21(22)33-29(36)34-28(39)25-11-10-24(41-25)23-15-31-18-40-23/h5,8-11,13,15,18,20,26,32,37H,1,6-7,12,14,16-17H2,2-4H3,(H,33,34,39)/t20-,26-/m1/s1
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PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separa...


US Patent US9932329 (2018)

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


(Homo sapiens (Human))
BDBM384538
PNG
((R)-N-(1-((1-acryloylpyrrolidin-2-yl)methyl)-5-(((...)
Show SMILES C=CC(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)-c2cnco2)nc2cc(CNCC3CC3)ccc12
Show InChI InChI=1S/C28H30N6O3S/c1-2-26(35)33-11-3-4-20(33)16-34-22-8-7-19(14-29-13-18-5-6-18)12-21(22)31-28(34)32-27(36)25-10-9-24(38-25)23-15-30-17-37-23/h2,7-10,12,15,17-18,20,29H,1,3-6,11,13-14,16H2,(H,31,32,36)/t20-/m1/s1
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PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separa...


US Patent US9932329 (2018)

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


(Homo sapiens (Human))
BDBM384542
PNG
(N-(1-(((R)-1-acryloylpyrrolidin-2-yl)methyl)-5-(((...)
Show SMILES C[C@H](CO)NCc1ccc2n(C[C@H]3CCCN3C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1
Show InChI InChI=1S/C27H30N6O4S/c1-3-25(35)32-10-4-5-19(32)14-33-21-7-6-18(12-29-17(2)15-34)11-20(21)30-27(33)31-26(36)24-9-8-23(38-24)22-13-28-16-37-22/h3,6-9,11,13,16-17,19,29,34H,1,4-5,10,12,14-15H2,2H3,(H,30,31,36)/t17-,19-/m1/s1
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PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separa...


US Patent US9932329 (2018)

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


(Homo sapiens (Human))
BDBM384543
PNG
((R)-N-(1-((1-acryloylpyrrolidin-2-yl)methyl)-5-(((...)
Show SMILES CC(C)(O)CNCc1ccc2n(C[C@H]3CCCN3C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1
Show InChI InChI=1S/C28H32N6O4S/c1-4-25(35)33-11-5-6-19(33)15-34-21-8-7-18(13-29-16-28(2,3)37)12-20(21)31-27(34)32-26(36)24-10-9-23(39-24)22-14-30-17-38-22/h4,7-10,12,14,17,19,29,37H,1,5-6,11,13,15-16H2,2-3H3,(H,31,32,36)/t19-/m1/s1
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PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separa...


US Patent US9932329 (2018)

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


(Homo sapiens (Human))
BDBM384541
PNG
(N-(1-(((R)-1-acryloylpyrrolidin-2-yl)methyl)-5-(((...)
Show SMILES C[C@@H](CO)NCc1ccc2n(C[C@H]3CCCN3C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1
Show InChI InChI=1S/C27H30N6O4S/c1-3-25(35)32-10-4-5-19(32)14-33-21-7-6-18(12-29-17(2)15-34)11-20(21)30-27(33)31-26(36)24-9-8-23(38-24)22-13-28-16-37-22/h3,6-9,11,13,16-17,19,29,34H,1,4-5,10,12,14-15H2,2H3,(H,30,31,36)/t17-,19+/m0/s1
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PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separa...


US Patent US9932329 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM384544
PNG
(N-(1-(((R)-1-(2-cyano-4,4-dimethylpent-2-enoyl)pyr...)
Show SMILES C[C@H](NCc1ccc2n(C[C@H]3CCCN3C(=O)C(=CC(C)(C)C)C#N)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1)C(C)(C)C
Show InChI InChI=1S/C35H43N7O3S/c1-22(35(5,6)7)38-18-23-10-11-27-26(15-23)39-33(40-31(43)30-13-12-29(46-30)28-19-37-21-45-28)42(27)20-25-9-8-14-41(25)32(44)24(17-36)16-34(2,3)4/h10-13,15-16,19,21-22,25,38H,8-9,14,18,20H2,1-7H3,(H,39,40,43)/t22-,25+/m0/s1
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PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separa...


US Patent US9932329 (2018)

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


(Homo sapiens (Human))
BDBM384540
PNG
(N-(1-(((R)-1-acryloylpyrrolidin-2-yl)methyl)-5-(((...)
Show SMILES CC(C)(C)[C@H](CO)NCc1ccc2n(C[C@H]3CCCN3C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1
Show InChI InChI=1S/C30H36N6O4S/c1-5-27(38)35-12-6-7-20(35)16-36-22-9-8-19(14-32-26(17-37)30(2,3)4)13-21(22)33-29(36)34-28(39)25-11-10-24(41-25)23-15-31-18-40-23/h5,8-11,13,15,18,20,26,32,37H,1,6-7,12,14,16-17H2,2-4H3,(H,33,34,39)/t20-,26+/m1/s1
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PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separa...


US Patent US9932329 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM384534
PNG
(N-(1-(((R)-1-(2-cyano-4,4-dimethylpent-2-enoyl)pyr...)
Show SMILES CC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)-c2cnco2)nc2cc(CN[C@@H](CO)C(C)(C)C)ccc12
Show InChI InChI=1S/C35H43N7O4S/c1-34(2,3)15-23(16-36)32(45)41-13-7-8-24(41)19-42-26-10-9-22(17-38-30(20-43)35(4,5)6)14-25(26)39-33(42)40-31(44)29-12-11-28(47-29)27-18-37-21-46-27/h9-12,14-15,18,21,24,30,38,43H,7-8,13,17,19-20H2,1-6H3,(H,39,40,44)/t24-,30+/m1/s1
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PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separa...


US Patent US9932329 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM384533
PNG
(N-(1-(((R)-1-(2-cyano-4,4-dimethylpent-2-enoyl)pyr...)
Show SMILES CC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)-c2cnco2)nc2cc(CN[C@H](CO)C(C)(C)C)ccc12
Show InChI InChI=1S/C35H43N7O4S/c1-34(2,3)15-23(16-36)32(45)41-13-7-8-24(41)19-42-26-10-9-22(17-38-30(20-43)35(4,5)6)14-25(26)39-33(42)40-31(44)29-12-11-28(47-29)27-18-37-21-46-27/h9-12,14-15,18,21,24,30,38,43H,7-8,13,17,19-20H2,1-6H3,(H,39,40,44)/t24-,30-/m1/s1
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PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separa...


US Patent US9932329 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM384535
PNG
(N-(1-(((R)-1-(2-cyano-4,4-dimethylpent-2-enoyl)pyr...)
Show SMILES CC(CO)NCc1ccc2n(C[C@H]3CCCN3C(=O)C(=CC(C)(C)C)C#N)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1
Show InChI InChI=1S/C32H37N7O4S/c1-20(18-40)35-15-21-7-8-25-24(12-21)36-31(37-29(41)28-10-9-27(44-28)26-16-34-19-43-26)39(25)17-23-6-5-11-38(23)30(42)22(14-33)13-32(2,3)4/h7-10,12-13,16,19-20,23,35,40H,5-6,11,15,17-18H2,1-4H3,(H,36,37,41)/t20?,23-/m1/s1
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PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separa...


US Patent US9932329 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM384537
PNG
(N-1-(((R)-1-(2-cyano-4,4-dimethylpent-2-enoyl)pyrr...)
Show SMILES COCC(C)NCc1ccc2n(C[C@H]3CCCN3C(=O)C(=CC(C)(C)C)C#N)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1
Show InChI InChI=1S/C33H39N7O4S/c1-21(19-43-5)36-16-22-8-9-26-25(13-22)37-32(38-30(41)29-11-10-28(45-29)27-17-35-20-44-27)40(26)18-24-7-6-12-39(24)31(42)23(15-34)14-33(2,3)4/h8-11,13-14,17,20-21,24,36H,6-7,12,16,18-19H2,1-5H3,(H,37,38,41)/t21?,24-/m1/s1
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PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separa...


US Patent US9932329 (2018)

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


(Homo sapiens (Human))
BDBM384535
PNG
(N-(1-(((R)-1-(2-cyano-4,4-dimethylpent-2-enoyl)pyr...)
Show SMILES CC(CO)NCc1ccc2n(C[C@H]3CCCN3C(=O)C(=CC(C)(C)C)C#N)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1
Show InChI InChI=1S/C32H37N7O4S/c1-20(18-40)35-15-21-7-8-25-24(12-21)36-31(37-29(41)28-10-9-27(44-28)26-16-34-19-43-26)39(25)17-23-6-5-11-38(23)30(42)22(14-33)13-32(2,3)4/h7-10,12-13,16,19-20,23,35,40H,5-6,11,15,17-18H2,1-4H3,(H,36,37,41)/t20?,23-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separa...


US Patent US9932329 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM384536
PNG
(N-(1-(((R)-1-(2-cyano-4,4-dimethylpent-2-enoyl)pyr...)
Show SMILES C[C@H](CO)NCc1ccc2n(C[C@H]3CCCN3C(=O)C(=CC(C)(C)C)C#N)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1
Show InChI InChI=1S/C32H37N7O4S/c1-20(18-40)35-15-21-7-8-25-24(12-21)36-31(37-29(41)28-10-9-27(44-28)26-16-34-19-43-26)39(25)17-23-6-5-11-38(23)30(42)22(14-33)13-32(2,3)4/h7-10,12-13,16,19-20,23,35,40H,5-6,11,15,17-18H2,1-4H3,(H,36,37,41)/t20-,23-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separa...


US Patent US9932329 (2018)

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


(Homo sapiens (Human))
BDBM384534
PNG
(N-(1-(((R)-1-(2-cyano-4,4-dimethylpent-2-enoyl)pyr...)
Show SMILES CC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)-c2cnco2)nc2cc(CN[C@@H](CO)C(C)(C)C)ccc12
Show InChI InChI=1S/C35H43N7O4S/c1-34(2,3)15-23(16-36)32(45)41-13-7-8-24(41)19-42-26-10-9-22(17-38-30(20-43)35(4,5)6)14-25(26)39-33(42)40-31(44)29-12-11-28(47-29)27-18-37-21-46-27/h9-12,14-15,18,21,24,30,38,43H,7-8,13,17,19-20H2,1-6H3,(H,39,40,44)/t24-,30+/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separa...


US Patent US9932329 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM384394
PNG
((R)-N-(1-((1-(2-cyano-4,4-dimethylpent-2-enoyl)pyr...)
Show SMILES CC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)-c2cnco2)nc2cc(CNCC3CC3)ccc12
Show InChI InChI=1S/C33H37N7O3S/c1-33(2,3)14-23(15-34)31(42)39-12-4-5-24(39)19-40-26-9-8-22(17-35-16-21-6-7-21)13-25(26)37-32(40)38-30(41)29-11-10-28(44-29)27-18-36-20-43-27/h8-11,13-14,18,20-21,24,35H,4-7,12,16-17,19H2,1-3H3,(H,37,38,41)/t24-/m1/s1
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PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separa...


US Patent US9932329 (2018)

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


(Homo sapiens (Human))
BDBM384544
PNG
(N-(1-(((R)-1-(2-cyano-4,4-dimethylpent-2-enoyl)pyr...)
Show SMILES C[C@H](NCc1ccc2n(C[C@H]3CCCN3C(=O)C(=CC(C)(C)C)C#N)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1)C(C)(C)C
Show InChI InChI=1S/C35H43N7O3S/c1-22(35(5,6)7)38-18-23-10-11-27-26(15-23)39-33(40-31(43)30-13-12-29(46-30)28-19-37-21-45-28)42(27)20-25-9-8-14-41(25)32(44)24(17-36)16-34(2,3)4/h10-13,15-16,19,21-22,25,38H,8-9,14,18,20H2,1-7H3,(H,39,40,43)/t22-,25+/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separa...


US Patent US9932329 (2018)

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


(Homo sapiens (Human))
BDBM384381
PNG
(Synthesis of (R)-N-(1-((1-(2-cyano-4,4-dimethylpen...)
Show SMILES CC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)-c2cnco2)nc2cc(CO)ccc12
Show InChI InChI=1S/C29H30N6O4S/c1-29(2,3)12-19(13-30)27(38)34-10-4-5-20(34)15-35-22-7-6-18(16-36)11-21(22)32-28(35)33-26(37)25-9-8-24(40-25)23-14-31-17-39-23/h6-9,11-12,14,17,20,36H,4-5,10,15-16H2,1-3H3,(H,32,33,37)/t20-/m1/s1
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PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separa...


US Patent US9932329 (2018)

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


(Homo sapiens (Human))
BDBM384536
PNG
(N-(1-(((R)-1-(2-cyano-4,4-dimethylpent-2-enoyl)pyr...)
Show SMILES C[C@H](CO)NCc1ccc2n(C[C@H]3CCCN3C(=O)C(=CC(C)(C)C)C#N)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1
Show InChI InChI=1S/C32H37N7O4S/c1-20(18-40)35-15-21-7-8-25-24(12-21)36-31(37-29(41)28-10-9-27(44-28)26-16-34-19-43-26)39(25)17-23-6-5-11-38(23)30(42)22(14-33)13-32(2,3)4/h7-10,12-13,16,19-20,23,35,40H,5-6,11,15,17-18H2,1-4H3,(H,36,37,41)/t20-,23-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separa...


US Patent US9932329 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM384381
PNG
(Synthesis of (R)-N-(1-((1-(2-cyano-4,4-dimethylpen...)
Show SMILES CC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)-c2cnco2)nc2cc(CO)ccc12
Show InChI InChI=1S/C29H30N6O4S/c1-29(2,3)12-19(13-30)27(38)34-10-4-5-20(34)15-35-22-7-6-18(16-36)11-21(22)32-28(35)33-26(37)25-9-8-24(40-25)23-14-31-17-39-23/h6-9,11-12,14,17,20,36H,4-5,10,15-16H2,1-3H3,(H,32,33,37)/t20-/m1/s1
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PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separa...


US Patent US9932329 (2018)

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


(Homo sapiens (Human))
BDBM384533
PNG
(N-(1-(((R)-1-(2-cyano-4,4-dimethylpent-2-enoyl)pyr...)
Show SMILES CC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)-c2cnco2)nc2cc(CN[C@H](CO)C(C)(C)C)ccc12
Show InChI InChI=1S/C35H43N7O4S/c1-34(2,3)15-23(16-36)32(45)41-13-7-8-24(41)19-42-26-10-9-22(17-38-30(20-43)35(4,5)6)14-25(26)39-33(42)40-31(44)29-12-11-28(47-29)27-18-37-21-46-27/h9-12,14-15,18,21,24,30,38,43H,7-8,13,17,19-20H2,1-6H3,(H,39,40,44)/t24-,30-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separa...


US Patent US9932329 (2018)

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


(Homo sapiens (Human))
BDBM384537
PNG
(N-1-(((R)-1-(2-cyano-4,4-dimethylpent-2-enoyl)pyrr...)
Show SMILES COCC(C)NCc1ccc2n(C[C@H]3CCCN3C(=O)C(=CC(C)(C)C)C#N)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1
Show InChI InChI=1S/C33H39N7O4S/c1-21(19-43-5)36-16-22-8-9-26-25(13-22)37-32(38-30(41)29-11-10-28(45-29)27-17-35-20-44-27)40(26)18-24-7-6-12-39(24)31(42)23(15-34)14-33(2,3)4/h8-11,13-14,17,20-21,24,36H,6-7,12,16,18-19H2,1-5H3,(H,37,38,41)/t21?,24-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separa...


US Patent US9932329 (2018)

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


(Homo sapiens (Human))
BDBM384394
PNG
((R)-N-(1-((1-(2-cyano-4,4-dimethylpent-2-enoyl)pyr...)
Show SMILES CC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)-c2cnco2)nc2cc(CNCC3CC3)ccc12
Show InChI InChI=1S/C33H37N7O3S/c1-33(2,3)14-23(15-34)31(42)39-12-4-5-24(39)19-40-26-9-8-22(17-35-16-21-6-7-21)13-25(26)37-32(40)38-30(41)29-11-10-28(44-29)27-18-36-20-43-27/h8-11,13-14,18,20-21,24,35H,4-7,12,16-17,19H2,1-3H3,(H,37,38,41)/t24-/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
The ability of the compounds of the present disclosure to inhibit ITK was measured using the Caliper assay format, which is an electrophoretic separa...


US Patent US9932329 (2018)

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