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Patent code US9834551

Compile Data Set for Download or QSAR

Found 220 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))
BDBM362348
PNG
(N-(3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pheny...)
Show SMILES OCc1ccc2cc([nH]c2c1)-c1c[nH]c2ncc(nc12)-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C24H19N5O2/c1-2-22(31)27-17-5-3-4-15(9-17)21-12-26-24-23(29-21)18(11-25-24)20-10-16-7-6-14(13-30)8-19(16)28-20/h2-12,28,30H,1,13H2,(H,25,26)(H,27,31)
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n/an/a>100n/an/an/an/an/an/a



ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM362357
PNG
(N-(2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pheny...)
Show SMILES CC\C=C\C(=O)Nc1cc(ccc1Cl)-c1cnc2[nH]cc(C)c2c1
Show InChI InChI=1S/C19H18ClN3O/c1-3-4-5-18(24)23-17-9-13(6-7-16(17)20)14-8-15-12(2)10-21-19(15)22-11-14/h4-11H,3H2,1-2H3,(H,21,22)(H,23,24)/b5-4+
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n/an/a>100n/an/an/an/an/an/a



ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362357
PNG
(N-(2-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pheny...)
Show SMILES CC\C=C\C(=O)Nc1cc(ccc1Cl)-c1cnc2[nH]cc(C)c2c1
Show InChI InChI=1S/C19H18ClN3O/c1-3-4-5-18(24)23-17-9-13(6-7-16(17)20)14-8-15-12(2)10-21-19(15)22-11-14/h4-11H,3H2,1-2H3,(H,21,22)(H,23,24)/b5-4+
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362358
PNG
(N-(3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)pheny...)
Show SMILES Cc1c[nH]c2ncc(cc12)-c1ccc(Cl)c(NC(=O)C=C)c1
Show InChI InChI=1S/C17H14ClN3O/c1-3-16(22)21-15-7-11(4-5-14(15)18)12-6-13-10(2)8-19-17(13)20-9-12/h3-9H,1H2,2H3,(H,19,20)(H,21,22)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195769
PNG
(US9206188, 20 | US9834551, Example 20)
Show SMILES Clc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C#C)c1
Show InChI InChI=1S/C16H10ClN3O/c1-2-15(21)20-12-5-3-4-10(6-12)11-7-13-14(17)9-19-16(13)18-8-11/h1,3-9H,(H,18,19)(H,20,21)
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n/an/a<100n/an/an/an/an/an/a



ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195777
PNG
(US9206188, 28 | US9834551, Example 28)
Show SMILES CCN(CC)S(=O)(=O)c1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C26H26N4O3S/c1-4-25(31)29-21-11-7-9-18(13-21)20-15-23-24(17-28-26(23)27-16-20)19-10-8-12-22(14-19)34(32,33)30(5-2)6-3/h4,7-17H,1,5-6H2,2-3H3,(H,27,28)(H,29,31)
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n/an/a<100n/an/an/an/an/an/a



ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195778
PNG
(US9206188, 29 | US9834551, Example 29)
Show SMILES CCOC(=O)c1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C25H21N3O3/c1-3-23(29)28-20-10-6-7-16(12-20)19-13-21-22(15-27-24(21)26-14-19)17-8-5-9-18(11-17)25(30)31-4-2/h3,5-15H,1,4H2,2H3,(H,26,27)(H,28,29)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362377
PNG
(N-(3-(3-(3-(N,N-dimethylsulfamoyl)phenyl)-1H-pyrro...)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C24H22N4O3S/c1-4-23(29)27-19-9-5-7-16(11-19)18-13-21-22(15-26-24(21)25-14-18)17-8-6-10-20(12-17)32(30,31)28(2)3/h4-15H,1H2,2-3H3,(H,25,26)(H,27,29)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362378
PNG
(N-(3-(3-(3-(methylsulfonyl)phenyl)-1H-pyrrolo[2,3-...)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C23H19N3O3S/c1-3-22(27)26-18-8-4-6-15(10-18)17-12-20-21(14-25-23(20)24-13-17)16-7-5-9-19(11-16)30(2,28)29/h3-14H,1H2,2H3,(H,24,25)(H,26,27)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362380
PNG
(N-(3-(3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[...)
Show SMILES CCC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cc(F)cc(F)c3OC)c2c1
Show InChI InChI=1S/C25H19F2N3O2/c1-3-4-8-23(31)30-18-7-5-6-15(9-18)16-10-20-21(14-29-25(20)28-13-16)19-11-17(26)12-22(27)24(19)32-2/h5-7,9-14H,3H2,1-2H3,(H,28,29)(H,30,31)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM195799
PNG
(US9206188, 50 | US9834551, Example 50)
Show SMILES Cc1n[nH]c2ncc(cc12)-c1ccc(Cl)c(NC(=O)C=C)c1
Show InChI InChI=1S/C16H13ClN4O/c1-3-15(22)19-14-7-10(4-5-13(14)17)11-6-12-9(2)20-21-16(12)18-8-11/h3-8H,1H2,2H3,(H,19,22)(H,18,20,21)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM195800
PNG
(US9206188, 51 | US9834551, Example 51)
Show SMILES CC\C=C\C(=O)Nc1cccc(c1)-c1cnc2[nH]nc(C)c2c1
Show InChI InChI=1S/C18H18N4O/c1-3-4-8-17(23)20-15-7-5-6-13(9-15)14-10-16-12(2)21-22-18(16)19-11-14/h4-11H,3H2,1-2H3,(H,20,23)(H,19,21,22)/b8-4+
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM195807
PNG
(US9206188, 58 | US9834551, Example 58)
Show SMILES Clc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)n1
Show InChI InChI=1S/C15H11ClN4O/c1-2-14(21)20-13-5-3-4-12(19-13)9-6-10-11(16)8-18-15(10)17-7-9/h2-8H,1H2,(H,17,18)(H,19,20,21)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195809
PNG
(US9206188, 60 | US9834551, Example 60)
Show SMILES Fc1ccc(cc1NC(=O)C=C)-c1cnc2[nH]cc(Cl)c2c1
Show InChI InChI=1S/C16H11ClFN3O/c1-2-15(22)21-14-6-9(3-4-13(14)18)10-5-11-12(17)8-20-16(11)19-7-10/h2-8H,1H2,(H,19,20)(H,21,22)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362404
PNG
(N-(2,3-difluoro-5-(1H- pyrrolo[2,3-b]pyridin-5- yl...)
Show SMILES Fc1cc(cc(NC(=O)C=C)c1F)-c1cnc2[nH]ccc2c1
Show InChI InChI=1S/C16H11F2N3O/c1-2-14(22)21-13-7-10(6-12(17)15(13)18)11-5-9-3-4-19-16(9)20-8-11/h2-8H,1H2,(H,19,20)(H,21,22)
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US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM195826
PNG
(US9206188, 77 | US9834551, Example 77)
Show SMILES O=C(Nc1cccc(n1)-c1cnc2[nH]ccc2c1)C#C
Show InChI InChI=1S/C15H10N4O/c1-2-14(20)19-13-5-3-4-12(18-13)11-8-10-6-7-16-15(10)17-9-11/h1,3-9H,(H,16,17)(H,18,19,20)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM195828
PNG
(US9206188, 79 | US9834551, Example 79)
Show SMILES Clc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C#C)n1
Show InChI InChI=1S/C15H9ClN4O/c1-2-14(21)20-13-5-3-4-12(19-13)9-6-10-11(16)8-18-15(10)17-7-9/h1,3-8H,(H,17,18)(H,19,20,21)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195828
PNG
(US9206188, 79 | US9834551, Example 79)
Show SMILES Clc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C#C)n1
Show InChI InChI=1S/C15H9ClN4O/c1-2-14(21)20-13-5-3-4-12(19-13)9-6-10-11(16)8-18-15(10)17-7-9/h1,3-8H,(H,17,18)(H,19,20,21)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195833
PNG
(US9206188, 84 | US9834551, Example 84)
Show SMILES Fc1ccc(cc1NC(=O)C#C)-c1cnc2[nH]cc(Cl)c2c1
Show InChI InChI=1S/C16H9ClFN3O/c1-2-15(22)21-14-6-9(3-4-13(14)18)10-5-11-12(17)8-20-16(11)19-7-10/h1,3-8H,(H,19,20)(H,21,22)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM195836
PNG
(US9206188, 87 | US9834551, Example 87)
Show SMILES CC#CC(=O)Nc1cc(ccc1F)-c1cnc2[nH]ccc2c1
Show InChI InChI=1S/C17H12FN3O/c1-2-3-16(22)21-15-9-11(4-5-14(15)18)13-8-12-6-7-19-17(12)20-10-13/h4-10H,1H3,(H,19,20)(H,21,22)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195838
PNG
(US9206188, 89 | US9834551, Example 89)
Show SMILES Cc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C#C)n1
Show InChI InChI=1S/C16H12N4O/c1-3-15(21)20-14-6-4-5-13(19-14)11-7-12-10(2)8-17-16(12)18-9-11/h1,4-9H,2H3,(H,17,18)(H,19,20,21)
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n/an/a<100n/an/an/an/an/an/a



ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195839
PNG
(US9206188, 90 | US9834551, Example 90)
Show SMILES CCC#CC(=O)Nc1cccc(n1)-c1cnc2[nH]cc(C)c2c1
Show InChI InChI=1S/C18H16N4O/c1-3-4-8-17(23)22-16-7-5-6-15(21-16)13-9-14-12(2)10-19-18(14)20-11-13/h5-7,9-11H,3H2,1-2H3,(H,19,20)(H,21,22,23)
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n/an/a<100n/an/an/an/an/an/a



ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM362436
PNG
(N-(3-(7-(3-(N-(tert-butyl)-N- methylsulfamoyl)phen...)
Show SMILES CN(C(C)(C)C)S(=O)(=O)c1cccc(c1)-c1c[nH]c2ncc(nc12)-c1cccc(NC(=O)C#C)c1
Show InChI InChI=1S/C26H25N5O3S/c1-6-23(32)29-19-11-7-10-18(13-19)22-16-28-25-24(30-22)21(15-27-25)17-9-8-12-20(14-17)35(33,34)31(5)26(2,3)4/h1,7-16H,2-5H3,(H,27,28)(H,29,32)
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n/an/a>100n/an/an/an/an/an/a



ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM362439
PNG
(N-(3-(3-(3,5-difluoro-2- methoxyphenyl)-1H-pyrrolo...)
Show SMILES COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C#C)c1
Show InChI InChI=1S/C23H15F2N3O2/c1-3-21(29)28-16-6-4-5-13(7-16)14-8-18-19(12-27-23(18)26-11-14)17-9-15(24)10-20(25)22(17)30-2/h1,4-12H,2H3,(H,26,27)(H,28,29)
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n/an/a>100n/an/an/an/an/an/a



ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195902
PNG
(US9206188, 138 | US9834551, Example 138)
Show SMILES COc1cc(F)c(C)cc1-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)\C=C\CN(C)C)c1
Show InChI InChI=1S/C27H27FN4O2/c1-17-11-21(25(34-4)14-24(17)28)23-16-30-27-22(23)13-19(15-29-27)18-7-5-8-20(12-18)31-26(33)9-6-10-32(2)3/h5-9,11-16H,10H2,1-4H3,(H,29,30)(H,31,33)/b9-6+
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM195904
PNG
(US9206188, 145 | US9834551, Example 145)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc(C)c3F)c2c1
Show InChI InChI=1S/C26H25FN4O/c1-17-7-4-10-21(25(17)27)23-16-29-26-22(23)14-19(15-28-26)18-8-5-9-20(13-18)30-24(32)11-6-12-31(2)3/h4-11,13-16H,12H2,1-3H3,(H,28,29)(H,30,32)/b11-6+
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n/an/a>100n/an/an/an/an/an/a



ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195904
PNG
(US9206188, 145 | US9834551, Example 145)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc(C)c3F)c2c1
Show InChI InChI=1S/C26H25FN4O/c1-17-7-4-10-21(25(17)27)23-16-29-26-22(23)14-19(15-28-26)18-8-5-9-20(13-18)30-24(32)11-6-12-31(2)3/h4-11,13-16H,12H2,1-3H3,(H,28,29)(H,30,32)/b11-6+
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM195906
PNG
(US9206188, 150 | US9834551, Example 150)
Show SMILES C=CC(=O)Nc1cccc(c1)-c1cnc2NC(=O)Cc2c1
Show InChI InChI=1S/C16H13N3O2/c1-2-14(20)18-13-5-3-4-10(7-13)12-6-11-8-15(21)19-16(11)17-9-12/h2-7,9H,1,8H2,(H,18,20)(H,17,19,21)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM195908
PNG
(US9206188, 153 | US9834551, Example 153)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1cnc2[nH]cc(Cl)c2c1
Show InChI InChI=1S/C19H19ClN4O/c1-24(2)8-4-7-18(25)23-15-6-3-5-13(9-15)14-10-16-17(20)12-22-19(16)21-11-14/h3-7,9-12H,8H2,1-2H3,(H,21,22)(H,23,25)/b7-4+
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM362454
PNG
((E)-N-(5-fluoro-3-(3-(4-fluoro-2- methoxy-5-methyl...)
Show SMILES COc1cc(F)c(C)cc1-c1c[nH]c2ncc(cc12)-c1cc(F)cc(NC(=O)C(\C)=C\C(C)(C)C)c1C
Show InChI InChI=1S/C30H31F2N3O2/c1-16-8-22(27(37-7)12-25(16)32)24-15-34-28-23(24)9-19(14-33-28)21-10-20(31)11-26(18(21)3)35-29(36)17(2)13-30(4,5)6/h8-15H,1-7H3,(H,33,34)(H,35,36)/b17-13+
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195757
PNG
(US9206188, 8 | US9834551, Example 8)
Show SMILES Cc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C17H15N3O/c1-3-16(21)20-14-6-4-5-12(7-14)13-8-15-11(2)9-18-17(15)19-10-13/h3-10H,1H2,2H3,(H,18,19)(H,20,21)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195765
PNG
(US9206188, 16 | US9834551, Example 16)
Show SMILES Clc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C2(CC2)C#C)c1
Show InChI InChI=1S/C19H14ClN3O/c1-2-19(6-7-19)18(24)23-14-5-3-4-12(8-14)13-9-15-16(20)11-22-17(15)21-10-13/h1,3-5,8-11H,6-7H2,(H,21,22)(H,23,24)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM195768
PNG
(US9206188, 19 | US9834551, Example 19)
Show SMILES CC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(Cl)c2c1
Show InChI InChI=1S/C17H12ClN3O/c1-2-4-16(22)21-13-6-3-5-11(7-13)12-8-14-15(18)10-20-17(14)19-9-12/h3,5-10H,1H3,(H,19,20)(H,21,22)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195774
PNG
(US9206188, 25 | US9834551, Example 25)
Show SMILES Cc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)CF)c1
Show InChI InChI=1S/C16H14FN3O/c1-10-8-18-16-14(10)6-12(9-19-16)11-3-2-4-13(5-11)20-15(21)7-17/h2-6,8-9H,7H2,1H3,(H,18,19)(H,20,21)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195776
PNG
(US9206188, 27 | US9834551, Example 27)
Show SMILES CN(C(C)(C)C)S(=O)(=O)c1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C27H28N4O3S/c1-6-25(32)30-21-11-7-9-18(13-21)20-15-23-24(17-29-26(23)28-16-20)19-10-8-12-22(14-19)35(33,34)31(5)27(2,3)4/h6-17H,1H2,2-5H3,(H,28,29)(H,30,32)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM195778
PNG
(US9206188, 29 | US9834551, Example 29)
Show SMILES CCOC(=O)c1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C25H21N3O3/c1-3-23(29)28-20-10-6-7-16(12-20)19-13-21-22(15-27-24(21)26-14-19)17-8-5-9-18(11-17)25(30)31-4-2/h3,5-15H,1,4H2,2H3,(H,26,27)(H,28,29)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362385
PNG
(N-(6-(3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[...)
Show SMILES COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)n1
Show InChI InChI=1S/C22H16F2N4O2/c1-3-20(29)28-19-6-4-5-18(27-19)12-7-15-16(11-26-22(15)25-10-12)14-8-13(23)9-17(24)21(14)30-2/h3-11H,1H2,2H3,(H,25,26)(H,27,28,29)
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US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362405
PNG
(N-(5-(3-chloro-1H-pyrrolo[2,3- b]pyridin-5-yl)-2,3...)
Show SMILES Fc1cc(cc(NC(=O)C=C)c1F)-c1cnc2[nH]cc(Cl)c2c1
Show InChI InChI=1S/C16H10ClF2N3O/c1-2-14(23)22-13-5-8(4-12(18)15(13)19)9-3-10-11(17)7-21-16(10)20-6-9/h2-7H,1H2,(H,20,21)(H,22,23)
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Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM362408
PNG
(N-(3-(3-chloro-1H-pyrrolo[2,3- b]pyridin-5- yl)phe...)
Show SMILES Clc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C2CCCN2)c1
Show InChI InChI=1/C18H17ClN4O/c19-15-10-22-17-14(15)8-12(9-21-17)11-3-1-4-13(7-11)23-18(24)16-5-2-6-20-16/h1,3-4,7-10,16,20H,2,5-6H2,(H,21,22)(H,23,24)
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Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362409
PNG
(1-acryloyl-N-(3-(3-chloro-1H- pyrrolo[2,3-b]pyridi...)
Show SMILES Clc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C2CCCN2C(=O)C=C)c1
Show InChI InChI=1/C21H19ClN4O2/c1-2-19(27)26-8-4-7-18(26)21(28)25-15-6-3-5-13(9-15)14-10-16-17(22)12-24-20(16)23-11-14/h2-3,5-6,9-12,18H,1,4,7-8H2,(H,23,24)(H,25,28)
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US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM362411
PNG
(N-(3-(3-methyl-1H-pyrrolo[2,3- b]pyridin-5- yl)phe...)
Show SMILES Cc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C#C)c1
Show InChI InChI=1S/C17H13N3O/c1-3-16(21)20-14-6-4-5-12(7-14)13-8-15-11(2)9-18-17(15)19-10-13/h1,4-10H,2H3,(H,18,19)(H,20,21)
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Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195824
PNG
(US9206188, 75 | US9834551, Example 75)
Show SMILES Cc1ccc2cc([nH]c2c1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C25H20N4O/c1-3-24(30)28-19-6-4-5-16(10-19)18-11-20-21(14-27-25(20)26-13-18)23-12-17-8-7-15(2)9-22(17)29-23/h3-14,29H,1H2,2H3,(H,26,27)(H,28,30)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195830
PNG
(US9206188, 81 | US9834551, Example 81)
Show SMILES CC#CC(=O)Nc1cccc(n1)-c1cnc2[nH]ccc2c1
Show InChI InChI=1S/C16H12N4O/c1-2-4-15(21)20-14-6-3-5-13(19-14)12-9-11-7-8-17-16(11)18-10-12/h3,5-10H,1H3,(H,17,18)(H,19,20,21)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195834
PNG
(US9206188, 85 | US9834551, Example 85)
Show SMILES CCC#CC(=O)Nc1cc(ccc1F)-c1cnc2[nH]ccc2c1
Show InChI InChI=1S/C18H14FN3O/c1-2-3-4-17(23)22-16-10-12(5-6-15(16)19)14-9-13-7-8-20-18(13)21-11-14/h5-11H,2H2,1H3,(H,20,21)(H,22,23)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM195841
PNG
(US9206188, 92 | US9834551, Example 92)
Show SMILES Cc1c[nH]c2ncc(cc12)-c1ccc(F)c(NC(=O)C#C)c1
Show InChI InChI=1S/C17H12FN3O/c1-3-16(22)21-15-7-11(4-5-14(15)18)12-6-13-10(2)8-19-17(13)20-9-12/h1,4-9H,2H3,(H,19,20)(H,21,22)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362448
PNG
((E)-N-(3-(3-(3,5-difluoro-2- methoxyphenyl)-1H-pyr...)
Show SMILES COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C(\C)=C\C(C)(C)C)c1
Show InChI InChI=1S/C28H27F2N3O2/c1-16(13-28(2,3)4)27(34)33-20-8-6-7-17(9-20)18-10-22-23(15-32-26(22)31-14-18)21-11-19(29)12-24(30)25(21)35-5/h6-15H,1-5H3,(H,31,32)(H,33,34)/b16-13+
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362451
PNG
((E)-N-(3-(3-(3,5-difluoro-2- methoxyphenyl)-1H-pyr...)
Show SMILES COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cc(F)cc(NC(=O)\C=C\CN(C)C)c1C
Show InChI InChI=1S/C27H25F3N4O2/c1-15-19(9-18(29)12-24(15)33-25(35)6-5-7-34(2)3)16-8-21-22(14-32-27(21)31-13-16)20-10-17(28)11-23(30)26(20)36-4/h5-6,8-14H,7H2,1-4H3,(H,31,32)(H,33,35)/b6-5+
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362454
PNG
((E)-N-(5-fluoro-3-(3-(4-fluoro-2- methoxy-5-methyl...)
Show SMILES COc1cc(F)c(C)cc1-c1c[nH]c2ncc(cc12)-c1cc(F)cc(NC(=O)C(\C)=C\C(C)(C)C)c1C
Show InChI InChI=1S/C30H31F2N3O2/c1-16-8-22(27(37-7)12-25(16)32)24-15-34-28-23(24)9-19(14-33-28)21-10-20(31)11-26(18(21)3)35-29(36)17(2)13-30(4,5)6/h8-15H,1-7H3,(H,33,34)(H,35,36)/b17-13+
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US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362347
PNG
(N-(3-(7-(1H-indol-2-yl)-5H-pyrrolo[2,3-b]pyrazin-2...)
Show SMILES Clc1ccc2cc([nH]c2c1)-c1c[nH]c2ncc(nc12)-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C23H16ClN5O/c1-2-21(30)27-16-5-3-4-13(8-16)20-12-26-23-22(29-20)17(11-25-23)19-9-14-6-7-15(24)10-18(14)28-19/h2-12,28H,1H2,(H,25,26)(H,27,30)
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US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM195769
PNG
(US9206188, 20 | US9834551, Example 20)
Show SMILES Clc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C#C)c1
Show InChI InChI=1S/C16H10ClN3O/c1-2-15(21)20-12-5-3-4-10(6-12)11-7-13-14(17)9-19-16(13)18-8-11/h1,3-9H,(H,18,19)(H,20,21)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
ITK and JAK3 Kinase assay procedures:Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or ...


US Patent US9834551 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.056
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%