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Compile Data Set for Download or QSAR

Found 220 hits Enz. Inhib. hit(s) with all data for entry = 2347   
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))
BDBM362346
PNG
(N-(3-(7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]...)
Show SMILES Cc1ccc2cc([nH]c2c1)-c1c[nH]c2ncc(nc12)-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C24H19N5O/c1-3-22(30)27-17-6-4-5-15(10-17)21-13-26-24-23(29-21)18(12-25-24)20-11-16-8-7-14(2)9-19(16)28-20/h3-13,28H,1H2,2H3,(H,25,26)(H,27,30)
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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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM362346
PNG
(N-(3-(7-(6-methyl-1H-indol-2-yl)-5H-pyrrolo[2,3-b]...)
Show SMILES Cc1ccc2cc([nH]c2c1)-c1c[nH]c2ncc(nc12)-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C24H19N5O/c1-3-22(30)27-17-6-4-5-15(10-17)21-13-26-24-23(29-21)18(12-25-24)20-11-16-8-7-14(2)9-19(16)28-20/h3-13,28H,1H2,2H3,(H,25,26)(H,27,30)
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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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(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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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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
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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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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
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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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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(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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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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM195754
PNG
(US9206188, 5 | US9834551, Example 5)
Show SMILES C=CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cc4ccccc4[nH]3)c2n1
Show InChI InChI=1S/C23H17N5O/c1-2-21(29)26-16-8-5-7-14(10-16)20-13-25-23-22(28-20)17(12-24-23)19-11-15-6-3-4-9-18(15)27-19/h2-13,27H,1H2,(H,24,25)(H,26,29)
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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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195754
PNG
(US9206188, 5 | US9834551, Example 5)
Show SMILES C=CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cc4ccccc4[nH]3)c2n1
Show InChI InChI=1S/C23H17N5O/c1-2-21(29)26-16-8-5-7-14(10-16)20-13-25-23-22(28-20)17(12-24-23)19-11-15-6-3-4-9-18(15)27-19/h2-13,27H,1H2,(H,24,25)(H,26,29)
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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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM195756
PNG
(US9206188, 7 | US9834551, Example 7)
Show SMILES Clc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C16H12ClN3O/c1-2-15(21)20-12-5-3-4-10(6-12)11-7-13-14(17)9-19-16(13)18-8-11/h2-9H,1H2,(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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195756
PNG
(US9206188, 7 | US9834551, Example 7)
Show SMILES Clc1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C16H12ClN3O/c1-2-15(21)20-12-5-3-4-10(6-12)11-7-13-14(17)9-19-16(13)18-8-11/h2-9H,1H2,(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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
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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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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
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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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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM195770
PNG
(US9206188, 21 | US9834551, Example 21)
Show SMILES CCC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(Cl)c2c1
Show InChI InChI=1S/C18H14ClN3O/c1-2-3-7-17(23)22-14-6-4-5-12(8-14)13-9-15-16(19)11-21-18(15)20-10-13/h4-6,8-11H,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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195770
PNG
(US9206188, 21 | US9834551, Example 21)
Show SMILES CCC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(Cl)c2c1
Show InChI InChI=1S/C18H14ClN3O/c1-2-3-7-17(23)22-14-6-4-5-12(8-14)13-9-15-16(19)11-21-18(15)20-10-13/h4-6,8-11H,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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195771
PNG
(US9206188, 22 | US9834551, Example 22)
Show SMILES FCC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(Cl)c2c1
Show InChI InChI=1S/C15H11ClFN3O/c16-13-8-19-15-12(13)5-10(7-18-15)9-2-1-3-11(4-9)20-14(21)6-17/h1-5,7-8H,6H2,(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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM195772
PNG
(US9206188, 23 | US9834551, Example 23)
Show SMILES CC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(C)c2c1
Show InChI InChI=1S/C18H15N3O/c1-3-5-17(22)21-15-7-4-6-13(8-15)14-9-16-12(2)10-19-18(16)20-11-14/h4,6-11H,1-2H3,(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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195772
PNG
(US9206188, 23 | US9834551, Example 23)
Show SMILES CC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(C)c2c1
Show InChI InChI=1S/C18H15N3O/c1-3-5-17(22)21-15-7-4-6-13(8-15)14-9-16-12(2)10-19-18(16)20-11-14/h4,6-11H,1-2H3,(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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM195773
PNG
(US9206188, 24 | US9834551, Example 24)
Show SMILES CCC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(C)c2c1
Show InChI InChI=1S/C19H17N3O/c1-3-4-8-18(23)22-16-7-5-6-14(9-16)15-10-17-13(2)11-20-19(17)21-12-15/h5-7,9-12H,3H2,1-2H3,(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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195773
PNG
(US9206188, 24 | US9834551, Example 24)
Show SMILES CCC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(C)c2c1
Show InChI InChI=1S/C19H17N3O/c1-3-4-8-18(23)22-16-7-5-6-14(9-16)15-10-17-13(2)11-20-19(17)21-12-15/h5-7,9-12H,3H2,1-2H3,(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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM195775
PNG
(US9206188, 26 | US9834551, Example 26)
Show SMILES COc1c(F)cccc1-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C23H18FN3O2/c1-3-21(28)27-16-7-4-6-14(10-16)15-11-18-19(13-26-23(18)25-12-15)17-8-5-9-20(24)22(17)29-2/h3-13H,1H2,2H3,(H,25,26)(H,27,28)
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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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195775
PNG
(US9206188, 26 | US9834551, Example 26)
Show SMILES COc1c(F)cccc1-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C23H18FN3O2/c1-3-21(28)27-16-7-4-6-14(10-16)15-11-18-19(13-26-23(18)25-12-15)17-8-5-9-20(24)22(17)29-2/h3-13H,1H2,2H3,(H,25,26)(H,27,28)
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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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(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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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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
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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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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM195779
PNG
(US9206188, 30 | US9834551, Example 30)
Show SMILES COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C23H17F2N3O2/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/h3-12H,1H2,2H3,(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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195779
PNG
(US9206188, 30 | US9834551, Example 30)
Show SMILES COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C23H17F2N3O2/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/h3-12H,1H2,2H3,(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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM195780
PNG
(US9206188, 31 | US9834551, Example 31)
Show SMILES CCC#CC(=O)Nc1cc(ccc1F)-c1cnc2[nH]cc(C)c2c1
Show InChI InChI=1S/C19H16FN3O/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/h6-11H,3H2,1-2H3,(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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195780
PNG
(US9206188, 31 | US9834551, Example 31)
Show SMILES CCC#CC(=O)Nc1cc(ccc1F)-c1cnc2[nH]cc(C)c2c1
Show InChI InChI=1S/C19H16FN3O/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/h6-11H,3H2,1-2H3,(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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM195781
PNG
(US9206188, 32 | US9834551, Example 32)
Show SMILES CCC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc(c3)S(=O)(=O)N(C)C(C)(C)C)c2c1
Show InChI InChI=1S/C29H30N4O3S/c1-6-7-14-27(34)32-23-12-8-10-20(15-23)22-17-25-26(19-31-28(25)30-18-22)21-11-9-13-24(16-21)37(35,36)33(5)29(2,3)4/h8-13,15-19H,6H2,1-5H3,(H,30,31)(H,32,34)
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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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195781
PNG
(US9206188, 32 | US9834551, Example 32)
Show SMILES CCC#CC(=O)Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc(c3)S(=O)(=O)N(C)C(C)(C)C)c2c1
Show InChI InChI=1S/C29H30N4O3S/c1-6-7-14-27(34)32-23-12-8-10-20(15-23)22-17-25-26(19-31-28(25)30-18-22)21-11-9-13-24(16-21)37(35,36)33(5)29(2,3)4/h8-13,15-19H,6H2,1-5H3,(H,30,31)(H,32,34)
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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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM195782
PNG
(US9206188, 33 | US9834551, Example 33)
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/C26H27N5O3S/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/h6-16H,1H2,2-5H3,(H,27,28)(H,29,32)
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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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM195782
PNG
(US9206188, 33 | US9834551, Example 33)
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/C26H27N5O3S/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/h6-16H,1H2,2-5H3,(H,27,28)(H,29,32)
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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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM362379
PNG
(N-(3-(3-(3-(ethylsulfonyl)phenyl)-1H-pyrrolo[2,3-b...)
Show SMILES CCS(=O)(=O)c1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C24H21N3O3S/c1-3-23(28)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)31(29,30)4-2/h3,5-15H,1,4H2,2H3,(H,25,26)(H,27,28)
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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)


BindingDB Entry DOI: 10.7270/Q2PZ5C4Q
More data for this
Ligand-Target Pair
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