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Compile Data Set for Download or QSAR

Found 4155 hits with Last Name = 'falcone' and Initial = 'd'   
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 JAK1


(Homo sapiens (Human))
BDBM391013
PNG
(4-({1-[(1R,2R))-1- (cyanomethyl)-2- fluorocyclohex...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1 |r|
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n/an/a<0.0200n/an/an/an/an/an/a



GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391314
PNG
(Trans 2-(1-(3-((4- chlorophenyl)amino)-4-oxo- 4,5-...)
Show SMILES COC1CN(C1)[C@H]1CC[C@@](CC#N)(CC1)n1nc(Nc2ccc(Cl)cc2)c2c1cc[nH]c2=O |r,wU:9.16,wD:6.6,(4.93,8.57,;3.44,8.17,;3.04,6.68,;3.81,5.35,;2.48,4.58,;1.71,5.91,;2.08,3.09,;.59,2.69,;.2,1.2,;1.28,.12,;.02,-.77,;.16,-2.3,;.29,-3.84,;2.77,.51,;3.17,2,;-.2,-.28,;-.83,-1.69,;-2.36,-1.53,;-3.45,-2.62,;-3.05,-4.11,;-4.14,-5.19,;-3.74,-6.68,;-2.25,-7.08,;-1.86,-8.57,;-1.17,-5.99,;-1.56,-4.5,;-2.68,-.02,;-1.35,.75,;-1.35,2.29,;-2.68,3.06,;-4.01,2.29,;-4.01,.75,;-5.35,-.02,)|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM390961
PNG
((2S,5S and 2R,5R)-methyl 5-(cyanomethyl)-5-(3-((4...)
Show SMILES COC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(cc2)S(C)(=O)=O)c2c1cc[nH]c2=O |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391107
PNG
(US9957264, Example 5-178 | [(3S)-3-{3-[(2-tert-but...)
Show SMILES CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCCOC3)ccc2S1(=O)=O |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391050
PNG
(2-(1-(3-((2-(tert-butyl)- 1,1-dioxido-2,3- dihydro...)
Show SMILES CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)C3(CC#N)CCCC3)ccc2S1(=O)=O
Show InChI InChI=1S/C24H28N6O3S/c1-23(2,3)29-15-16-14-17(6-7-19(16)34(29,32)33)27-21-20-18(8-13-26-22(20)31)30(28-21)24(11-12-25)9-4-5-10-24/h6-8,13-14H,4-5,9-11,15H2,1-3H3,(H,26,31)(H,27,28)
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391016
PNG
(US9957264, Example 5-87 | {(1R,2R)-2-fluoro-1-[3- ...)
Show SMILES CC(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1 |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391023
PNG
((2S,5S)-tert-butyl 5- (cyanomethyl)-5-(3-((4-(N- m...)
Show SMILES CNS(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1 |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391338
PNG
(Trans 2-(4-(3-Fluoroazetidin- 1-yl)-1-(3-((2-methy...)
Show SMILES CN1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@@]3(CC#N)CC[C@@H](CC3)N3CC(F)C3)ccc2S1(=O)=O |r,wU:17.18,wD:23.28,(1.9,-7.72,;.57,-6.95,;.57,-5.41,;-.89,-4.93,;-1.52,-3.52,;-3.05,-3.36,;-3.45,-1.88,;-2.36,-.79,;-.83,-.95,;-.2,.46,;-1.35,1.49,;-1.35,3.03,;-2.68,3.8,;-4.01,3.03,;-4.01,1.49,;-5.35,.72,;-2.68,.72,;1.28,.86,;.02,-.03,;.16,-1.56,;.29,-3.09,;.2,1.95,;.59,3.43,;2.08,3.83,;3.17,2.74,;2.77,1.26,;2.48,5.32,;3.81,6.09,;3.04,7.42,;3.44,8.91,;1.71,6.65,;-3.96,-4.61,;-3.33,-6.02,;-1.8,-6.18,;-.89,-7.42,;-1.98,-8.51,;-.49,-8.91,)|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391348
PNG
((2S,5S)-isopropyl 5-(3-((2- (tert-butyl)-1,1-dioxi...)
Show SMILES CC(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc3c(CN(C(C)(C)C)S3(=O)=O)c2)c2c1cc[nH]c2=O |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM391195
PNG
(2-((3R,4R or 3S,4S)-3-fluoro- 4-(4-oxo-3-((4-((R o...)
Show SMILES F[C@H]1COCC[C@@]1(CC#N)n1nc(Nc2ccc(cc2)[C@]2(CCCCN2)C(F)(F)F)c2c1cc[nH]c2=O |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM391366
PNG
(US9957264, Example 21-2 | [(1R,2R)-1-{3-[(3,3- dim...)
Show SMILES CC1(C)C(=O)Nc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@@]3(CC#N)CCCC[C@H]3F)ccc12 |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391295
PNG
(6-(4-(cyanomethyl)-4-(3- ((4(methylsulfonyl) pheny...)
Show SMILES CS(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)c2ccc(cn2)C#N)cc1
Show InChI InChI=1S/C26H24N8O3S/c1-38(36,37)20-5-3-19(4-6-20)31-24-23-21(8-13-29-25(23)35)34(32-24)26(9-12-27)10-14-33(15-11-26)22-7-2-18(16-28)17-30-22/h2-8,13,17H,9-11,14-15H2,1H3,(H,29,35)(H,31,32)
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM391295
PNG
(6-(4-(cyanomethyl)-4-(3- ((4(methylsulfonyl) pheny...)
Show SMILES CS(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)c2ccc(cn2)C#N)cc1
Show InChI InChI=1S/C26H24N8O3S/c1-38(36,37)20-5-3-19(4-6-20)31-24-23-21(8-13-29-25(23)35)34(32-24)26(9-12-27)10-14-33(15-11-26)22-7-2-18(16-28)17-30-22/h2-8,13,17H,9-11,14-15H2,1H3,(H,29,35)(H,31,32)
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391185
PNG
(2-((3R,4R or 3S,4S)-4-(3-((2- (tert-butyl)-1,1-dio...)
Show SMILES CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCOC[C@@H]3F)ccc2S1(=O)=O |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391188
PNG
(2-((3R,4R or 3S,4S)-4-(3-((2- (tert-butyl)-1-oxois...)
Show SMILES CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCOC[C@@H]3F)ccc2C1=O |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM391194
PNG
(2-((3R,4R or 3S,4S)-3-fluoro- 4-(4-oxo-3-((4-((S o...)
Show SMILES F[C@H]1COCC[C@@]1(CC#N)n1nc(Nc2ccc(cc2)[C@@]2(CCCCN2)C(F)(F)F)c2c1cc[nH]c2=O |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391366
PNG
(US9957264, Example 21-2 | [(1R,2R)-1-{3-[(3,3- dim...)
Show SMILES CC1(C)C(=O)Nc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@@]3(CC#N)CCCC[C@H]3F)ccc12 |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391105
PNG
(US9957264, Example 5-176 | US9957264, Example 5-17...)
Show SMILES NC(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1)C(F)(F)F |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM391013
PNG
(4-({1-[(1R,2R))-1- (cyanomethyl)-2- fluorocyclohex...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1 |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM391016
PNG
(US9957264, Example 5-87 | {(1R,2R)-2-fluoro-1-[3- ...)
Show SMILES CC(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1 |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391028
PNG
((2S,5S)-tert-butyl 5- (cyanomethyl)-5-(3-((4- (cyc...)
Show SMILES CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(cc2)S(=O)(=O)C2CC2)c2c1cc[nH]c2=O |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM390984
PNG
((2S,5S)-tert-butyl 5- (cyanomethyl)-5-(3-((2- meth...)
Show SMILES CN1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CC[C@H](OC3)C(=O)OC(C)(C)C)ccc2S1(=O)=O |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM391206
PNG
(2-((3R,4R or 3S,4S)-4-(3- ((1,1-dioxido-2-(1-(2,2,...)
Show SMILES F[C@H]1COCC[C@@]1(CC#N)n1nc(Nc2ccc3c(CN(C4CCN(CC(F)(F)F)CC4)S3(=O)=O)c2)c2c1cc[nH]c2=O |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM391188
PNG
(2-((3R,4R or 3S,4S)-4-(3-((2- (tert-butyl)-1-oxois...)
Show SMILES CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCOC[C@@H]3F)ccc2C1=O |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391194
PNG
(2-((3R,4R or 3S,4S)-3-fluoro- 4-(4-oxo-3-((4-((S o...)
Show SMILES F[C@H]1COCC[C@@]1(CC#N)n1nc(Nc2ccc(cc2)[C@@]2(CCCCN2)C(F)(F)F)c2c1cc[nH]c2=O |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391195
PNG
(2-((3R,4R or 3S,4S)-3-fluoro- 4-(4-oxo-3-((4-((R o...)
Show SMILES F[C@H]1COCC[C@@]1(CC#N)n1nc(Nc2ccc(cc2)[C@]2(CCCCN2)C(F)(F)F)c2c1cc[nH]c2=O |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391206
PNG
(2-((3R,4R or 3S,4S)-4-(3- ((1,1-dioxido-2-(1-(2,2,...)
Show SMILES F[C@H]1COCC[C@@]1(CC#N)n1nc(Nc2ccc3c(CN(C4CCN(CC(F)(F)F)CC4)S3(=O)=O)c2)c2c1cc[nH]c2=O |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391334
PNG
(Trans 2-(1-(3-((4- ((difluoromethyl)sulfonyl) phen...)
Show SMILES FC(F)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CC[C@@H](CC2)N2CC(F)C2)cc1 |r,wU:27.32,wD:21.22,(-6.74,-6.02,;-6.27,-4.55,;-7.3,-3.41,;-4.76,-4.23,;-5.08,-2.73,;-4.44,-5.74,;-3.25,-3.91,;-2.22,-5.06,;-.72,-4.74,;-.24,-3.27,;1.27,-2.95,;1.74,-1.49,;.84,-.24,;1.74,1,;3.21,.53,;4.54,1.3,;5.87,.53,;5.87,-1.01,;4.54,-1.78,;4.54,-3.32,;3.21,-1.01,;1.27,2.47,;2.79,2.68,;3.37,4.11,;3.94,5.54,;1.32,4.01,;.01,4.82,;-1.35,4.1,;-1.4,2.56,;-.09,1.74,;-2.65,4.92,;-4.15,4.57,;-4.5,6.07,;-5.81,6.89,;-3,6.42,;-1.27,-2.13,;-2.78,-2.45,)|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391102
PNG
(US9957264, Example 5-173 | US9957264, Example 5-17...)
Show SMILES CCNC(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1)C(F)(F)F |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM391102
PNG
(US9957264, Example 5-173 | US9957264, Example 5-17...)
Show SMILES CCNC(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1)C(F)(F)F |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM391104
PNG
(US9957264, Example 5-175 | [(1R,2R)-2-fluoro-1-{3-...)
Show SMILES CC(C)NC(C)(C)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1 |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391001
PNG
(US9957264, Example 5-72 | methyl 4-{3-[(2-ethyl-1,...)
Show SMILES CCN1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)C3(CC#N)CCN(CC3)C(=O)OC)ccc2S1(=O)=O
Show InChI InChI=1S/C24H27N7O5S/c1-3-30-15-16-14-17(4-5-19(16)37(30,34)35)27-21-20-18(6-11-26-22(20)32)31(28-21)24(7-10-25)8-12-29(13-9-24)23(33)36-2/h4-6,11,14H,3,7-9,12-13,15H2,1-2H3,(H,26,32)(H,27,28)
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391003
PNG
(US9957264, Example 5-74 | methyl 4-(cyanomethyl)-4...)
Show SMILES COC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc3c(CN(CC4CC4)S3(=O)=O)c2)c2c1cc[nH]c2=O
Show InChI InChI=1S/C26H29N7O5S/c1-38-25(35)31-12-8-26(7-10-27,9-13-31)33-20-6-11-28-24(34)22(20)23(30-33)29-19-4-5-21-18(14-19)16-32(39(21,36)37)15-17-2-3-17/h4-6,11,14,17H,2-3,7-9,12-13,15-16H2,1H3,(H,28,34)(H,29,30)
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391201
PNG
(2-((3R,4R or 3S,4S)-4-(3- ((1,1-dioxido-2-(piperid...)
Show SMILES F[C@H]1COCC[C@@]1(CC#N)n1nc(Nc2ccc3c(CN(C4CCNCC4)S3(=O)=O)c2)c2c1cc[nH]c2=O |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM391348
PNG
((2S,5S)-isopropyl 5-(3-((2- (tert-butyl)-1,1-dioxi...)
Show SMILES CC(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc3c(CN(C(C)(C)C)S3(=O)=O)c2)c2c1cc[nH]c2=O |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391287
PNG
(1-cyanoethyl 4- (cyanomethyl)-4-(3-((4- (N,N-dimet...)
Show SMILES CC(OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)S(=O)(=O)N(C)C)c2c1cc[nH]c2=O)C#N
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391293
PNG
(4-((1-(4-(cyanomethyl)-1- (cyclopropylsulfonyl)pip...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)S(=O)(=O)C2CC2)cc1
Show InChI InChI=1S/C24H29N7O5S2/c1-29(2)37(33,34)18-5-3-17(4-6-18)27-22-21-20(9-14-26-23(21)32)31(28-22)24(10-13-25)11-15-30(16-12-24)38(35,36)19-7-8-19/h3-6,9,14,19H,7-8,10-12,15-16H2,1-2H3,(H,26,32)(H,27,28)
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391180
PNG
(2-(4-(3-((2-(tert-butyl)- 1,1-dioxido-2,3- dihydro...)
Show SMILES CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)C3(CC#N)CCOCC3)ccc2S1(=O)=O
Show InChI InChI=1S/C24H28N6O4S/c1-23(2,3)29-15-16-14-17(4-5-19(16)35(29,32)33)27-21-20-18(6-11-26-22(20)31)30(28-21)24(7-10-25)8-12-34-13-9-24/h4-6,11,14H,7-9,12-13,15H2,1-3H3,(H,26,31)(H,27,28)
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM391185
PNG
(2-((3R,4R or 3S,4S)-4-(3-((2- (tert-butyl)-1,1-dio...)
Show SMILES CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCOC[C@@H]3F)ccc2S1(=O)=O |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM390965
PNG
((2S,5S and 2R,5R)-tert-butyl 5-(cyanomethyl)-5-(3-...)
Show SMILES CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(cc2)S(C)(=O)=O)c2c1cc[nH]c2=O |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391144
PNG
((2S,5S)-tert-butyl 5- (cyanomethyl)-5-(4-oxo-3- (q...)
Show SMILES CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc3ncccc3c2)c2c1cc[nH]c2=O |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391152
PNG
((2S,5S)-tert-butyl 5-(3-((2- carbamoylquinolin-6- ...)
Show SMILES CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc3nc(ccc3c2)C(N)=O)c2c1cc[nH]c2=O |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391099
PNG
((2S,5S)-tert-butyl 5- (cyanomethyl)-5-(4-oxo-3- ((...)
Show SMILES CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(cc2)C(C)(O)C(F)(F)F)c2c1cc[nH]c2=O |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391102
PNG
(US9957264, Example 5-173 | US9957264, Example 5-17...)
Show SMILES CCNC(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1)C(F)(F)F |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM391102
PNG
(US9957264, Example 5-173 | US9957264, Example 5-17...)
Show SMILES CCNC(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1)C(F)(F)F |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391048
PNG
(2-((S)-3-(3-(((S or R)-1- hydroxy-2,2-dimethyl-1- ...)
Show SMILES CC1(C)Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCCOC3)ccc2C1(O)C(F)(F)F |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391014
PNG
(US9957264, Example 5-85 | US9957264, Example 5-86 ...)
Show SMILES CC(O)(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1)C(F)(F)F |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391014
PNG
(US9957264, Example 5-85 | US9957264, Example 5-86 ...)
Show SMILES CC(O)(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1)C(F)(F)F |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391024
PNG
((2S,5S)-tert-butyl 5- (cyanomethyl)-5-(4- oxo-3-((...)
Show SMILES CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc3C(=O)N(CC(F)(F)F)Cc3c2)c2c1cc[nH]c2=O |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM391025
PNG
((2S,5S)-tert-butyl 5-(3-((4- ((1H-1,2,3-triazol-1-...)
Show SMILES CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(Cn3ccnn3)cc2)c2c1cc[nH]c2=O |r|
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GSK



Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


Bioorg Med Chem Lett 19: 360-4 (2009)


BindingDB Entry DOI: 10.7270/Q2KH0QN8
More data for this
Ligand-Target Pair
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