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Compile Data Set for Download or QSAR

Found 163 hits with Last Name = 'dolan' and Initial = 'ja'   
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 JAK3


(Homo sapiens (Human))
BDBM67818
PNG
(2-chloranyl-N-(3-quinoxalin-2-ylphenyl)ethanamide ...)
Show SMILES ClCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C16H12ClN3O/c17-9-16(21)19-12-5-3-4-11(8-12)15-10-18-13-6-1-2-7-14(13)20-15/h1-8,10H,9H2,(H,19,21)
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n/an/a 0.200n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM107139
PNG
(US8592415, 24)
Show SMILES BrCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C16H12BrN3O/c17-9-16(21)19-12-5-3-4-11(8-12)15-10-18-13-6-1-2-7-14(13)20-15/h1-8,10H,9H2,(H,19,21)
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n/an/a 0.300n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM107142
PNG
(US8592415, 27)
Show SMILES CS(=O)(=O)OCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C17H15N3O4S/c1-25(22,23)24-11-17(21)19-13-6-4-5-12(9-13)16-10-18-14-7-2-3-8-15(14)20-16/h2-10H,11H2,1H3,(H,19,21)
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n/an/a 0.600n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/a 5.30n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for beta-adrenergic activity against beta-1 adrenergic receptor by the inhibition of insulin stimulated [14C]- glucos...


J Med Chem 35: 3081-4 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Rattus norvegicus)
BDBM50002132
PNG
((4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethyl...)
Show SMILES COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C20H24ClNO4/c1-14(22-12-19(23)16-4-3-5-17(21)11-16)10-15-6-8-18(9-7-15)26-13-20(24)25-2/h3-9,11,14,19,22-23H,10,12-13H2,1-2H3/t14-,19+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Beta-2 adrenergic receptor in rat soleus membrane by displacing (-)-isoproterenol (50 microM)


J Med Chem 35: 3081-4 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM107137
PNG
(US8592415, 22)
Show SMILES C=CC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C17H13N3O/c1-2-17(21)19-13-7-5-6-12(10-13)16-11-18-14-8-3-4-9-15(14)20-16/h2-11H,1H2,(H,19,21)
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n/an/a 45n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50002132
PNG
((4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethyl...)
Show SMILES COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C20H24ClNO4/c1-14(22-12-19(23)16-4-3-5-17(21)11-16)10-15-6-8-18(9-7-15)26-13-20(24)25-2/h3-9,11,14,19,22-23H,10,12-13H2,1-2H3/t14-,19+/m1/s1
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n/an/a 59n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Beta-1 adrenergic receptor in rat heart membrane by displacing [125I]- iodocyanopindolol


J Med Chem 35: 3081-4 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM107124
PNG
(US8592415, 8)
Show SMILES O=C(CC#N)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C17H12N4O/c18-9-8-17(22)20-13-5-3-4-12(10-13)16-11-19-14-6-1-2-7-15(14)21-16/h1-7,10-11H,8H2,(H,20,22)
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n/an/a 136n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM107125
PNG
(US8592415, 9)
Show SMILES O=C(CN1CCCCC1)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C21H22N4O/c26-21(15-25-11-4-1-5-12-25)23-17-8-6-7-16(13-17)20-14-22-18-9-2-3-10-19(18)24-20/h2-3,6-10,13-14H,1,4-5,11-12,15H2,(H,23,26)
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n/an/a 175n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50002133
PNG
((+/-)-2-(4-((R)-2-((R)-2-(3-chlorophenyl)-2-hydrox...)
Show SMILES C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1
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n/an/a 190n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for beta-adrenergic activity against beta-1 adrenergic receptor by the inhibition of insulin stimulated [14C]- glucos...


J Med Chem 35: 3081-4 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM107131
PNG
(US8592415, 16)
Show SMILES O=C(CN1CCN(CC1)c1ccccc1)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C26H25N5O/c32-26(19-30-13-15-31(16-14-30)22-9-2-1-3-10-22)28-21-8-6-7-20(17-21)25-18-27-23-11-4-5-12-24(23)29-25/h1-12,17-18H,13-16,19H2,(H,28,32)
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n/an/a 270n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM107136
PNG
(US8592415, 21)
Show SMILES CC(Cl)C(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C17H14ClN3O/c1-11(18)17(22)20-13-6-4-5-12(9-13)16-10-19-14-7-2-3-8-15(14)21-16/h2-11H,1H3,(H,20,22)
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n/an/a 330n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50002132
PNG
((4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethyl...)
Show SMILES COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C20H24ClNO4/c1-14(22-12-19(23)16-4-3-5-17(21)11-16)10-15-6-8-18(9-7-15)26-13-20(24)25-2/h3-9,11,14,19,22-23H,10,12-13H2,1-2H3/t14-,19+/m1/s1
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n/an/a 500n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for beta-adrenergic activity against beta-1 adrenergic receptor by the inhibition of insulin stimulated [14C]- glucos...


J Med Chem 35: 3081-4 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM107133
PNG
(US8592415, 18)
Show SMILES ClC(Cl)C(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C16H11Cl2N3O/c17-15(18)16(22)20-11-5-3-4-10(8-11)14-9-19-12-6-1-2-7-13(12)21-14/h1-9,15H,(H,20,22)
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n/an/a 500n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/a 600n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards beta-1 adrenergic receptor in rat heart membrane by displacing [125I]- iodocyanopindolol


J Med Chem 35: 3081-4 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards beta-2 adrenergic receptor in rat soleus membrane by displacing(-)-isoproterenol (50 microM)


J Med Chem 35: 3081-4 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Rattus norvegicus)
BDBM50002133
PNG
((+/-)-2-(4-((R)-2-((R)-2-(3-chlorophenyl)-2-hydrox...)
Show SMILES C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Beta-2 adrenergic receptor in rat soleus membrane by displacing (-)-isoproterenol (50 microM)


J Med Chem 35: 3081-4 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM107120
PNG
(US8592415, 4)
Show SMILES Clc1ccc(cc1)N1CCN(CC(=O)Nc2cccc(c2)-c2cnc3ccccc3n2)CC1
Show InChI InChI=1S/C26H24ClN5O/c27-20-8-10-22(11-9-20)32-14-12-31(13-15-32)18-26(33)29-21-5-3-4-19(16-21)25-17-28-23-6-1-2-7-24(23)30-25/h1-11,16-17H,12-15,18H2,(H,29,33)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50002133
PNG
((+/-)-2-(4-((R)-2-((R)-2-(3-chlorophenyl)-2-hydrox...)
Show SMILES C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Beta-1 adrenergic receptor in rat heart membrane by displacing [125I]- iodocyanopindolol


J Med Chem 35: 3081-4 (1992)


BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM107133
PNG
(US8592415, 18)
Show SMILES ClC(Cl)C(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C16H11Cl2N3O/c17-15(18)16(22)20-11-5-3-4-10(8-11)14-9-19-12-6-1-2-7-13(12)21-14/h1-9,15H,(H,20,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM107151
PNG
(US8592415, 36)
Show SMILES NS(=O)(=O)CCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C17H16N4O3S/c18-25(23,24)9-8-17(22)20-13-5-3-4-12(10-13)16-11-19-14-6-1-2-7-15(14)21-16/h1-7,10-11H,8-9H2,(H,20,22)(H2,18,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM107138
PNG
(US8592415, 23)
Show SMILES C=CCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C18H15N3O/c1-2-6-18(22)20-14-8-5-7-13(11-14)17-12-19-15-9-3-4-10-16(15)21-17/h2-5,7-12H,1,6H2,(H,20,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM107139
PNG
(US8592415, 24)
Show SMILES BrCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C16H12BrN3O/c17-9-16(21)19-12-5-3-4-11(8-12)15-10-18-13-6-1-2-7-14(13)20-15/h1-8,10H,9H2,(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM107140
PNG
(US8592415, 25)
Show SMILES CSCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C17H15N3OS/c1-22-11-17(21)19-13-6-4-5-12(9-13)16-10-18-14-7-2-3-8-15(14)20-16/h2-10H,11H2,1H3,(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM107141
PNG
(US8592415, 26)
Show SMILES FC(F)(F)C(=O)CC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C18H12F3N3O2/c19-18(20,21)16(25)9-17(26)23-12-5-3-4-11(8-12)15-10-22-13-6-1-2-7-14(13)24-15/h1-8,10H,9H2,(H,23,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM107142
PNG
(US8592415, 27)
Show SMILES CS(=O)(=O)OCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C17H15N3O4S/c1-25(22,23)24-11-17(21)19-13-6-4-5-12(9-13)16-10-18-14-7-2-3-8-15(14)20-16/h2-10H,11H2,1H3,(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM107144
PNG
(US8592415, 29)
Show SMILES OCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C16H13N3O2/c20-10-16(21)18-12-5-3-4-11(8-12)15-9-17-13-6-1-2-7-14(13)19-15/h1-9,20H,10H2,(H,18,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM107146
PNG
(US8592415, 31)
Show SMILES CC(Nc1cccc(c1)-c1cnc2ccccc2n1)=C1CCOC1=O |w:1.0|
Show InChI InChI=1S/C20H17N3O2/c1-13(16-9-10-25-20(16)24)22-15-6-4-5-14(11-15)19-12-21-17-7-2-3-8-18(17)23-19/h2-8,11-12,22H,9-10H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM107147
PNG
(US8592415, 32)
Show SMILES CCOC(=O)CC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C19H17N3O3/c1-2-25-19(24)11-18(23)21-14-7-5-6-13(10-14)17-12-20-15-8-3-4-9-16(15)22-17/h3-10,12H,2,11H2,1H3,(H,21,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM107149
PNG
(US8592415, 34)
Show SMILES OC1CCN(CC(=O)Nc2cccc(c2)-c2cnc3ccccc3n2)CC1
Show InChI InChI=1S/C21H22N4O2/c26-17-8-10-25(11-9-17)14-21(27)23-16-5-3-4-15(12-16)20-13-22-18-6-1-2-7-19(18)24-20/h1-7,12-13,17,26H,8-11,14H2,(H,23,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM107151
PNG
(US8592415, 36)
Show SMILES NS(=O)(=O)CCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C17H16N4O3S/c18-25(23,24)9-8-17(22)20-13-5-3-4-12(10-13)16-11-19-14-6-1-2-7-15(14)21-16/h1-7,10-11H,8-9H2,(H,20,22)(H2,18,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM107143
PNG
(US8592415, 28)
Show SMILES CC(=O)OCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C18H15N3O3/c1-12(22)24-11-18(23)20-14-6-4-5-13(9-14)17-10-19-15-7-2-3-8-16(15)21-17/h2-10H,11H2,1H3,(H,20,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM107145
PNG
(US8592415, 30)
Show SMILES CC(=O)SCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C18H15N3O2S/c1-12(22)24-11-18(23)20-14-6-4-5-13(9-14)17-10-19-15-7-2-3-8-16(15)21-17/h2-10H,11H2,1H3,(H,20,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM107148
PNG
(US8592415, 33)
Show SMILES O=C(CN1CCN(CC1)c1ccncc1)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C25H24N6O/c32-25(18-30-12-14-31(15-13-30)21-8-10-26-11-9-21)28-20-5-3-4-19(16-20)24-17-27-22-6-1-2-7-23(22)29-24/h1-11,16-17H,12-15,18H2,(H,28,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM107138
PNG
(US8592415, 23)
Show SMILES C=CCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C18H15N3O/c1-2-6-18(22)20-14-8-5-7-13(11-14)17-12-19-15-9-3-4-10-16(15)21-17/h2-5,7-12H,1,6H2,(H,20,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM107140
PNG
(US8592415, 25)
Show SMILES CSCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C17H15N3OS/c1-22-11-17(21)19-13-6-4-5-12(9-13)16-10-18-14-7-2-3-8-15(14)20-16/h2-10H,11H2,1H3,(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM107141
PNG
(US8592415, 26)
Show SMILES FC(F)(F)C(=O)CC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C18H12F3N3O2/c19-18(20,21)16(25)9-17(26)23-12-5-3-4-11(8-12)15-10-22-13-6-1-2-7-14(13)24-15/h1-8,10H,9H2,(H,23,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM107144
PNG
(US8592415, 29)
Show SMILES OCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C16H13N3O2/c20-10-16(21)18-12-5-3-4-11(8-12)15-9-17-13-6-1-2-7-14(13)19-15/h1-9,20H,10H2,(H,18,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM107145
PNG
(US8592415, 30)
Show SMILES CC(=O)SCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C18H15N3O2S/c1-12(22)24-11-18(23)20-14-6-4-5-13(9-14)17-10-19-15-7-2-3-8-16(15)21-17/h2-10H,11H2,1H3,(H,20,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM107146
PNG
(US8592415, 31)
Show SMILES CC(Nc1cccc(c1)-c1cnc2ccccc2n1)=C1CCOC1=O |w:1.0|
Show InChI InChI=1S/C20H17N3O2/c1-13(16-9-10-25-20(16)24)22-15-6-4-5-14(11-15)19-12-21-17-7-2-3-8-18(17)23-19/h2-8,11-12,22H,9-10H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM107147
PNG
(US8592415, 32)
Show SMILES CCOC(=O)CC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C19H17N3O3/c1-2-25-19(24)11-18(23)21-14-7-5-6-13(10-14)17-12-20-15-8-3-4-9-16(15)22-17/h3-10,12H,2,11H2,1H3,(H,21,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM107148
PNG
(US8592415, 33)
Show SMILES O=C(CN1CCN(CC1)c1ccncc1)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C25H24N6O/c32-25(18-30-12-14-31(15-13-30)21-8-10-26-11-9-21)28-20-5-3-4-19(16-20)24-17-27-22-6-1-2-7-23(22)29-24/h1-11,16-17H,12-15,18H2,(H,28,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM107149
PNG
(US8592415, 34)
Show SMILES OC1CCN(CC(=O)Nc2cccc(c2)-c2cnc3ccccc3n2)CC1
Show InChI InChI=1S/C21H22N4O2/c26-17-8-10-25(11-9-17)14-21(27)23-16-5-3-4-15(12-16)20-13-22-18-6-1-2-7-19(18)24-20/h1-7,12-13,17,26H,8-11,14H2,(H,23,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM107137
PNG
(US8592415, 22)
Show SMILES C=CC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C17H13N3O/c1-2-17(21)19-13-7-5-6-12(10-13)16-11-18-14-8-3-4-9-15(14)20-16/h2-11H,1H2,(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM107149
PNG
(US8592415, 34)
Show SMILES OC1CCN(CC(=O)Nc2cccc(c2)-c2cnc3ccccc3n2)CC1
Show InChI InChI=1S/C21H22N4O2/c26-17-8-10-25(11-9-17)14-21(27)23-16-5-3-4-15(12-16)20-13-22-18-6-1-2-7-19(18)24-20/h1-7,12-13,17,26H,8-11,14H2,(H,23,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM107148
PNG
(US8592415, 33)
Show SMILES O=C(CN1CCN(CC1)c1ccncc1)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C25H24N6O/c32-25(18-30-12-14-31(15-13-30)21-8-10-26-11-9-21)28-20-5-3-4-19(16-20)24-17-27-22-6-1-2-7-23(22)29-24/h1-11,16-17H,12-15,18H2,(H,28,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM107147
PNG
(US8592415, 32)
Show SMILES CCOC(=O)CC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C19H17N3O3/c1-2-25-19(24)11-18(23)21-14-7-5-6-13(10-14)17-12-20-15-8-3-4-9-16(15)22-17/h3-10,12H,2,11H2,1H3,(H,21,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM107151
PNG
(US8592415, 36)
Show SMILES NS(=O)(=O)CCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C17H16N4O3S/c18-25(23,24)9-8-17(22)20-13-5-3-4-12(10-13)16-11-19-14-6-1-2-7-15(14)21-16/h1-7,10-11H,8-9H2,(H,20,22)(H2,18,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM107133
PNG
(US8592415, 18)
Show SMILES ClC(Cl)C(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C16H11Cl2N3O/c17-15(18)16(22)20-11-5-3-4-10(8-11)14-9-19-12-6-1-2-7-13(12)21-14/h1-9,15H,(H,20,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM107137
PNG
(US8592415, 22)
Show SMILES C=CC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C17H13N3O/c1-2-17(21)19-13-7-5-6-12(10-13)16-11-18-14-8-3-4-9-15(14)20-16/h2-11H,1H2,(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Reaction Biology Corp.; Synerga Limited

US Patent


Assay Description
In vitro kinase enzyme assay using Jak3, Jak2, Jak1, and Tyk2.


US Patent US8592415 (2013)


BindingDB Entry DOI: 10.7270/Q218354P
More data for this
Ligand-Target Pair
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