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Compile Data Set for Download or QSAR

Found 530 hits Enz. Inhib. hit(s) with all data for entry = 50000953   
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 JAK2


(Homo sapiens (Human))		BDBM127690
PNG
(US10251889, Example 63 | US10758542, Example 63 | ...)
Show SMILES OC[C@H](O)CNC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1C(F)(F)F |r|
Show InChI InChI=1S/C21H21F4N5O3/c22-12-3-4-16(21(23,24)25)14(8-12)17-2-1-6-29(17)18-5-7-30-19(28-18)15(10-27-30)20(33)26-9-13(32)11-31/h3-5,7-8,10,13,17,31-32H,1-2,6,9,11H2,(H,26,33)/t13-,17-/m1/s1
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n/an/a 4.55n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM127821
PNG
(US10251889, Example 195 | US10758542, Example 194 ...)
Show SMILES Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3CC[C@H](O)CC3)c2n1 |r,wD:26.28,(-7.38,2.87,;-6.05,3.64,;-6.05,5.18,;-4.72,5.95,;-3.38,5.18,;-2.05,5.95,;-3.38,3.64,;-4.72,2.87,;-4.72,1.33,;-5.96,.42,;-5.49,-1.04,;-3.95,-1.04,;-3.47,.42,;-2.14,1.19,;-2.14,2.73,;-.8,3.5,;.53,2.73,;1.99,3.21,;2.9,1.96,;1.99,.72,;2.76,-.62,;1.99,-1.95,;4.3,-.62,;5.07,-1.95,;6.61,-1.95,;7.38,-3.28,;6.61,-4.62,;7.38,-5.95,;5.07,-4.62,;4.3,-3.28,;.53,1.19,;-.8,.42,)|
Show InChI InChI=1S/C23H27FN6O2/c1-14-18(11-15(24)12-25-14)20-3-2-9-29(20)21-8-10-30-22(28-21)19(13-26-30)23(32)27-16-4-6-17(31)7-5-16/h8,10-13,16-17,20,31H,2-7,9H2,1H3,(H,27,32)/t16?,17-,20?
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n/an/a 4.60n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Trk enzymatic selectivity was assessed using Omnia™ Kinase Assay reagents from Invitrogen Corp. Enzyme (either TrkA or TrkB from Invitrogen Corp.) an...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127798
PNG
(US10251889, Example 171 | US10758542, Example 171 ...)
Show SMILES CN1CCN(CCNC(=O)c2cnn3ccc(nc23)N2CCCC2c2cc(F)ccc2F)CC1
Show InChI InChI=1S/C24H29F2N7O/c1-30-11-13-31(14-12-30)10-7-27-24(34)19-16-28-33-9-6-22(29-23(19)33)32-8-2-3-21(32)18-15-17(25)4-5-20(18)26/h4-6,9,15-16,21H,2-3,7-8,10-14H2,1H3,(H,27,34)
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n/an/a 4.70n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127726
PNG
(US10251889, Example 100 | US10758542, Example 100 ...)
Show SMILES O[C@H]1CCC(CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1 |r,wD:23.27,1.0,(7.01,-5.81,;6.24,-4.48,;7.01,-3.14,;6.24,-1.81,;4.7,-1.81,;3.93,-3.14,;4.7,-4.48,;3.93,-.47,;5.02,.61,;6.5,.22,;4.62,2.1,;5.52,3.35,;4.62,4.59,;3.15,4.12,;1.82,4.89,;.49,4.12,;.49,2.58,;1.82,1.81,;3.15,2.58,;-.85,1.81,;-.37,.34,;-1.62,-.56,;-2.86,.34,;-2.39,1.81,;-3.16,3.14,;-2.39,4.48,;-3.16,5.81,;-4.7,5.81,;-5.47,4.48,;-7.01,4.48,;-4.7,3.14,)|
Show InChI InChI=1S/C22H25FN6O2/c23-15-10-14(11-24-12-15)19-2-1-8-28(19)20-7-9-29-21(27-20)18(13-25-29)22(31)26-16-3-5-17(30)6-4-16/h7,9-13,16-17,19,30H,1-6,8H2,(H,26,31)/t16?,17-,19-/m1/s1
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n/an/a 4.70n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127821
PNG
(US10251889, Example 195 | US10758542, Example 194 ...)
Show SMILES Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3CC[C@H](O)CC3)c2n1 |r,wD:26.28,(-7.38,2.87,;-6.05,3.64,;-6.05,5.18,;-4.72,5.95,;-3.38,5.18,;-2.05,5.95,;-3.38,3.64,;-4.72,2.87,;-4.72,1.33,;-5.96,.42,;-5.49,-1.04,;-3.95,-1.04,;-3.47,.42,;-2.14,1.19,;-2.14,2.73,;-.8,3.5,;.53,2.73,;1.99,3.21,;2.9,1.96,;1.99,.72,;2.76,-.62,;1.99,-1.95,;4.3,-.62,;5.07,-1.95,;6.61,-1.95,;7.38,-3.28,;6.61,-4.62,;7.38,-5.95,;5.07,-4.62,;4.3,-3.28,;.53,1.19,;-.8,.42,)|
Show InChI InChI=1S/C23H27FN6O2/c1-14-18(11-15(24)12-25-14)20-3-2-9-29(20)21-8-10-30-22(28-21)19(13-26-30)23(32)27-16-4-6-17(31)7-5-16/h8,10-13,16-17,20,31H,2-7,9H2,1H3,(H,27,32)/t16?,17-,20?
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n/an/a 4.70n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127824
PNG
(US10251889, Example 197 | US10758542, Example 197 ...)
Show SMILES Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)N[C@@H]3CCC[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C22H25FN6O2/c1-13-15(10-14(23)11-24-13)18-5-3-8-28(18)20-7-9-29-21(27-20)16(12-25-29)22(31)26-17-4-2-6-19(17)30/h7,9-12,17-19,30H,2-6,8H2,1H3,(H,26,31)/t17-,18?,19-/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM374927
PNG
((R)-5-(2-(5-fluoropyridin-3- yl)pyrrolidin-1-yl)-N...)
Show SMILES Fc1cncc(c1)C1CCCN1c1ccn2ncc(C(=O)NCC(F)(F)F)c2n1
Show InChI InChI=1S/C18H16F4N6O/c19-12-6-11(7-23-8-12)14-2-1-4-27(14)15-3-5-28-16(26-15)13(9-25-28)17(29)24-10-18(20,21)22/h3,5-9,14H,1-2,4,10H2,(H,24,29)
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n/an/a 5n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM127720
PNG
(US10251889, Example 93 | US10758542, Example 93 | ...)
Show SMILES CC(C)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1 |r|
Show InChI InChI=1S/C19H21FN6O/c1-12(2)23-19(27)15-11-22-26-7-5-17(24-18(15)26)25-6-3-4-16(25)13-8-14(20)10-21-9-13/h5,7-12,16H,3-4,6H2,1-2H3,(H,23,27)/t16-/m1/s1
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n/an/a 5.10n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Trk enzymatic selectivity was assessed using Omnia™ Kinase Assay reagents from Invitrogen Corp. Enzyme (either TrkA or TrkB from Invitrogen Corp.) an...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127720
PNG
(US10251889, Example 93 | US10758542, Example 93 | ...)
Show SMILES CC(C)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1 |r|
Show InChI InChI=1S/C19H21FN6O/c1-12(2)23-19(27)15-11-22-26-7-5-17(24-18(15)26)25-6-3-4-16(25)13-8-14(20)10-21-9-13/h5,7-12,16H,3-4,6H2,1-2H3,(H,23,27)/t16-/m1/s1
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n/an/a 5.10n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127694
PNG
(US10251889, Example 67 | US10758542, Example 67 | ...)
Show SMILES CC1(C)CC[C@@H](N1c1ccn2ncc(C(N)=O)c2n1)c1cc(F)ccc1F |r|
Show InChI InChI=1S/C19H19F2N5O/c1-19(2)7-5-15(12-9-11(20)3-4-14(12)21)26(19)16-6-8-25-18(24-16)13(10-23-25)17(22)27/h3-4,6,8-10,15H,5,7H2,1-2H3,(H2,22,27)/t15-/m1/s1
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n/an/a 5.10n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127729
PNG
(US10251889, Example 102 | US10758542, Example 102 ...)
Show SMILES CC1(CCC1)NC(=O)c1cnn2ccc(nc12)N1CCCC1c1cncc(F)c1
Show InChI InChI=1S/C21H23FN6O/c1-21(6-3-7-21)26-20(29)16-13-24-28-9-5-18(25-19(16)28)27-8-2-4-17(27)14-10-15(22)12-23-11-14/h5,9-13,17H,2-4,6-8H2,1H3,(H,26,29)
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n/an/a 5.20n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127659
PNG
(US10251889, Example 32 | US10758542, Example 32 | ...)
Show SMILES CC1(O)CN(C1)C(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|
Show InChI InChI=1S/C21H21F2N5O2/c1-21(30)11-26(12-21)20(29)15-10-24-28-8-6-18(25-19(15)28)27-7-2-3-17(27)14-9-13(22)4-5-16(14)23/h4-6,8-10,17,30H,2-3,7,11-12H2,1H3/t17-/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127704
PNG
(US10251889, Example 77 | US10758542, Example 77 | ...)
Show SMILES COCCOc1cc(F)cc(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r|
Show InChI InChI=1S/C23H26FN5O3/c1-31-9-10-32-18-12-15(11-16(24)13-18)20-3-2-7-28(20)21-6-8-29-22(27-21)19(14-25-29)23(30)26-17-4-5-17/h6,8,11-14,17,20H,2-5,7,9-10H2,1H3,(H,26,30)/t20-/m1/s1
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St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127722
PNG
(US10251889, Example 95 | US10758542, Example 95 | ...)
Show SMILES Fc1ccc(NC(=O)c2cnn3ccc(nc23)N2CCC[C@@H]2c2cncc(F)c2)nc1 |r|
Show InChI InChI=1S/C21H17F2N7O/c22-14-3-4-18(25-11-14)27-21(31)16-12-26-30-7-5-19(28-20(16)30)29-6-1-2-17(29)13-8-15(23)10-24-9-13/h3-5,7-12,17H,1-2,6H2,(H,25,27,31)/t17-/m1/s1
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St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127777
PNG
(US10251889, Example 150 | US10758542, Example 150 ...)
Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC[C@@H](O)CO)c2n1 |r|
Show InChI InChI=1S/C20H23FN6O4/c1-31-20-14(7-12(21)8-23-20)16-3-2-5-26(16)17-4-6-27-18(25-17)15(10-24-27)19(30)22-9-13(29)11-28/h4,6-8,10,13,16,28-29H,2-3,5,9,11H2,1H3,(H,22,30)/t13-,16-/m1/s1
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St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127844
PNG
(US10251889, Example 217 | US10758542, Example 217 ...)
Show SMILES CC(C)NC(=O)c1cnn2ccc(nc12)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H22FN5O2/c1-12(2)23-20(28)16-10-22-26-7-6-18(24-19(16)26)25-11-15(27)9-17(25)13-4-3-5-14(21)8-13/h3-8,10,12,15,17,27H,9,11H2,1-2H3,(H,23,28)/t15-,17+/m0/s1
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St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127776
PNG
(US10251889, Example 149 | US10758542, Example 149 ...)
Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCC(O)CO)c2n1 |r|
Show InChI InChI=1S/C20H23FN6O4/c1-31-20-14(7-12(21)8-23-20)16-3-2-5-26(16)17-4-6-27-18(25-17)15(10-24-27)19(30)22-9-13(29)11-28/h4,6-8,10,13,16,28-29H,2-3,5,9,11H2,1H3,(H,22,30)/t13?,16-/m1/s1
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n/an/a 6.10n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127715
PNG
(US10251889, Example 88 | US10758542, Example 88 | ...)
Show SMILES OC[C@H](O)CONC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|
Show InChI InChI=1S/C20H21F2N5O4/c21-12-3-4-16(22)14(8-12)17-2-1-6-26(17)18-5-7-27-19(24-18)15(9-23-27)20(30)25-31-11-13(29)10-28/h3-5,7-9,13,17,28-29H,1-2,6,10-11H2,(H,25,30)/t13-,17+/m0/s1
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n/an/a 6.13n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127724
PNG
(US10251889, Example 97 | US10758542, Example 97 | ...)
Show SMILES FC(CCl)CNC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1 |r|
Show InChI InChI=1S/C19H19ClF2N6O/c20-7-14(22)10-24-19(29)15-11-25-28-5-3-17(26-18(15)28)27-4-1-2-16(27)12-6-13(21)9-23-8-12/h3,5-6,8-9,11,14,16H,1-2,4,7,10H2,(H,24,29)/t14?,16-/m1/s1
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n/an/a 6.20n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM127750
PNG
(US10251889, Example 123 | US10758542, Example 123 ...)
Show SMILES C[C@@H](NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1)C1CC1 |r|
Show InChI InChI=1S/C21H23FN6O/c1-13(14-4-5-14)25-21(29)17-12-24-28-8-6-19(26-20(17)28)27-7-2-3-18(27)15-9-16(22)11-23-10-15/h6,8-14,18H,2-5,7H2,1H3,(H,25,29)/t13-,18-/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Trk enzymatic selectivity was assessed using Omnia™ Kinase Assay reagents from Invitrogen Corp. Enzyme (either TrkA or TrkB from Invitrogen Corp.) an...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127750
PNG
(US10251889, Example 123 | US10758542, Example 123 ...)
Show SMILES C[C@@H](NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1)C1CC1 |r|
Show InChI InChI=1S/C21H23FN6O/c1-13(14-4-5-14)25-21(29)17-12-24-28-8-6-19(26-20(17)28)27-7-2-3-18(27)15-9-16(22)11-23-10-15/h6,8-14,18H,2-5,7H2,1H3,(H,25,29)/t13-,18-/m1/s1
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n/an/a 6.40n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127695
PNG
(US10251889, Example 68 | US10758542, Example 68 | ...)
Show SMILES CC1(C)CC[C@@H](N1c1ccn2ncc(C(=O)NC3CC3)c2n1)c1cc(F)ccc1F |r|
Show InChI InChI=1S/C22H23F2N5O/c1-22(2)9-7-18(15-11-13(23)3-6-17(15)24)29(22)19-8-10-28-20(27-19)16(12-25-28)21(30)26-14-4-5-14/h3,6,8,10-12,14,18H,4-5,7,9H2,1-2H3,(H,26,30)/t18-/m1/s1
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n/an/a 6.60n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM344498
PNG
(US10251889, Example 213 | US10758542, Example 213 ...)
Show SMILES C[C@H](NC(=O)c1cnn2ccc(nc12)N1[C@H](CO)CC[C@@H]1c1cncc(F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H20F4N6O2/c1-11(20(22,23)24)27-19(32)15-9-26-29-5-4-17(28-18(15)29)30-14(10-31)2-3-16(30)12-6-13(21)8-25-7-12/h4-9,11,14,16,31H,2-3,10H2,1H3,(H,27,32)/t11-,14-,16+/m0/s1
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n/an/a 6.80n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127823
PNG
(US10251889, Example 196 | US10758542, Example 196 ...)
Show SMILES Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)C3)c2n1 |r|
Show InChI InChI=1S/C22H25FN6O2/c1-13-17(9-14(23)11-24-13)19-3-2-7-28(19)20-6-8-29-21(27-20)18(12-25-29)22(31)26-15-4-5-16(30)10-15/h6,8-9,11-12,15-16,19,30H,2-5,7,10H2,1H3,(H,26,31)/t15-,16-,19?/m0/s1
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n/an/a 6.80n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127810
PNG
(US10251889, Example 183 | US10758542, Example 183 ...)
Show SMILES Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC(C)(C)C)c2n1 |r|
Show InChI InChI=1S/C21H25FN6O/c1-13-15(10-14(22)11-23-13)17-6-5-8-27(17)18-7-9-28-19(25-18)16(12-24-28)20(29)26-21(2,3)4/h7,9-12,17H,5-6,8H2,1-4H3,(H,26,29)/t17-/m1/s1
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n/an/a 6.90n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127702
PNG
(US10251889, Example 75 | US10758542, Example 75 | ...)
Show SMILES CONC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C18H18FN5O2/c1-26-22-18(25)14-11-20-24-9-7-16(21-17(14)24)23-8-3-6-15(23)12-4-2-5-13(19)10-12/h2,4-5,7,9-11,15H,3,6,8H2,1H3,(H,22,25)/t15-/m1/s1
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n/an/a 6.95n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127726
PNG
(US10251889, Example 100 | US10758542, Example 100 ...)
Show SMILES O[C@H]1CCC(CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1 |r,wD:23.27,1.0,(7.01,-5.81,;6.24,-4.48,;7.01,-3.14,;6.24,-1.81,;4.7,-1.81,;3.93,-3.14,;4.7,-4.48,;3.93,-.47,;5.02,.61,;6.5,.22,;4.62,2.1,;5.52,3.35,;4.62,4.59,;3.15,4.12,;1.82,4.89,;.49,4.12,;.49,2.58,;1.82,1.81,;3.15,2.58,;-.85,1.81,;-.37,.34,;-1.62,-.56,;-2.86,.34,;-2.39,1.81,;-3.16,3.14,;-2.39,4.48,;-3.16,5.81,;-4.7,5.81,;-5.47,4.48,;-7.01,4.48,;-4.7,3.14,)|
Show InChI InChI=1S/C22H25FN6O2/c23-15-10-14(11-24-12-15)19-2-1-8-28(19)20-7-9-29-21(27-20)18(13-25-29)22(31)26-16-3-5-17(30)6-4-16/h7,9-13,16-17,19,30H,1-6,8H2,(H,26,31)/t16?,17-,19-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM374930
PNG
((R)-N-(2,2-difluoroethyl)-5-(2-(5- fluoropyridin-3...)
Show SMILES FC(F)CNC(=O)c1cnn2ccc(nc12)N1CCCC1c1cncc(F)c1
Show InChI InChI=1S/C18H17F3N6O/c19-12-6-11(7-22-8-12)14-2-1-4-26(14)16-3-5-27-17(25-16)13(9-24-27)18(28)23-10-15(20)21/h3,5-9,14-15H,1-2,4,10H2,(H,23,28)
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n/an/a 7.40n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127811
PNG
(US10251889, Example 184 | US10758542, Example 184 ...)
Show SMILES CC(C)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)cnc1C |r|
Show InChI InChI=1S/C20H23FN6O/c1-12(2)24-20(28)16-11-23-27-8-6-18(25-19(16)27)26-7-4-5-17(26)15-9-14(21)10-22-13(15)3/h6,8-12,17H,4-5,7H2,1-3H3,(H,24,28)/t17-/m1/s1
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n/an/a 7.40n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127679
PNG
(US10251889, Example 52 | US10758542, Example 52 | ...)
Show SMILES Fc1cncc(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r|
Show InChI InChI=1S/C19H19FN6O/c20-13-8-12(9-21-10-13)16-2-1-6-25(16)17-5-7-26-18(24-17)15(11-22-26)19(27)23-14-3-4-14/h5,7-11,14,16H,1-4,6H2,(H,23,27)/t16-/m1/s1
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n/an/a 7.40n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM127679
PNG
(US10251889, Example 52 | US10758542, Example 52 | ...)
Show SMILES Fc1cncc(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r|
Show InChI InChI=1S/C19H19FN6O/c20-13-8-12(9-21-10-13)16-2-1-6-25(16)17-5-7-26-18(24-17)15(11-22-26)19(27)23-14-3-4-14/h5,7-11,14,16H,1-4,6H2,(H,23,27)/t16-/m1/s1
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n/an/a 7.40n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Trk enzymatic selectivity was assessed using Omnia™ Kinase Assay reagents from Invitrogen Corp. Enzyme (either TrkA or TrkB from Invitrogen Corp.) an...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM127733
PNG
(US10251889, Example 106 | US10758542, Example 106 ...)
Show SMILES Fc1cncc(c1)C1CCCN1c1ccn2ncc(C(=O)NCC3CC3)c2n1
Show InChI InChI=1S/C20H21FN6O/c21-15-8-14(10-22-11-15)17-2-1-6-26(17)18-5-7-27-19(25-18)16(12-24-27)20(28)23-9-13-3-4-13/h5,7-8,10-13,17H,1-4,6,9H2,(H,23,28)
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n/an/a 7.60n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Trk enzymatic selectivity was assessed using Omnia™ Kinase Assay reagents from Invitrogen Corp. Enzyme (either TrkA or TrkB from Invitrogen Corp.) an...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127733
PNG
(US10251889, Example 106 | US10758542, Example 106 ...)
Show SMILES Fc1cncc(c1)C1CCCN1c1ccn2ncc(C(=O)NCC3CC3)c2n1
Show InChI InChI=1S/C20H21FN6O/c21-15-8-14(10-22-11-15)17-2-1-6-26(17)18-5-7-27-19(25-18)16(12-24-27)20(28)23-9-13-3-4-13/h5,7-8,10-13,17H,1-4,6,9H2,(H,23,28)
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n/an/a 7.70n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127821
PNG
(US10251889, Example 195 | US10758542, Example 194 ...)
Show SMILES Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3CC[C@H](O)CC3)c2n1 |r,wD:26.28,(-7.38,2.87,;-6.05,3.64,;-6.05,5.18,;-4.72,5.95,;-3.38,5.18,;-2.05,5.95,;-3.38,3.64,;-4.72,2.87,;-4.72,1.33,;-5.96,.42,;-5.49,-1.04,;-3.95,-1.04,;-3.47,.42,;-2.14,1.19,;-2.14,2.73,;-.8,3.5,;.53,2.73,;1.99,3.21,;2.9,1.96,;1.99,.72,;2.76,-.62,;1.99,-1.95,;4.3,-.62,;5.07,-1.95,;6.61,-1.95,;7.38,-3.28,;6.61,-4.62,;7.38,-5.95,;5.07,-4.62,;4.3,-3.28,;.53,1.19,;-.8,.42,)|
Show InChI InChI=1S/C23H27FN6O2/c1-14-18(11-15(24)12-25-14)20-3-2-9-29(20)21-8-10-30-22(28-21)19(13-26-30)23(32)27-16-4-6-17(31)7-5-16/h8,10-13,16-17,20,31H,2-7,9H2,1H3,(H,27,32)/t16?,17-,20?
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n/an/a 7.70n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127770
PNG
(US10251889, Example 143 | US10758542, Example 143 ...)
Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC[C@H](O)CO)c2n1 |r|
Show InChI InChI=1S/C20H23FN6O4/c1-31-20-14(7-12(21)8-23-20)16-3-2-5-26(16)17-4-6-27-18(25-17)15(10-24-27)19(30)22-9-13(29)11-28/h4,6-8,10,13,16,28-29H,2-3,5,9,11H2,1H3,(H,22,30)/t13-,16+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM374925
PNG
(5-((R)-2-(5-fluoropyridin-3- yl)pyrrolidin-1-yl)-N...)
Show SMILES C[C@@H](NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C19H18F4N6O/c1-11(19(21,22)23)26-18(30)14-10-25-29-6-4-16(27-17(14)29)28-5-2-3-15(28)12-7-13(20)9-24-8-12/h4,6-11,15H,2-3,5H2,1H3,(H,26,30)/t11-,15-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127806
PNG
(US10251889, Example 179 | US10758542, Example 179 ...)
Show SMILES CC(C)[C@@H](CO)NC(=O)c1cnn2ccc(nc12)N1CCCC1c1cc(F)ccc1F |r|
Show InChI InChI=1S/C22H25F2N5O2/c1-13(2)18(12-30)26-22(31)16-11-25-29-9-7-20(27-21(16)29)28-8-3-4-19(28)15-10-14(23)5-6-17(15)24/h5-7,9-11,13,18-19,30H,3-4,8,12H2,1-2H3,(H,26,31)/t18-,19?/m1/s1
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n/an/a 8.5n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM374976
PNG
((R)-N-cyclobutyl-5-(2-(5-fluoro-2- methylpyridin-3...)
Show SMILES Cc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCC3)c2n1 |r|
Show InChI InChI=1S/C21H23FN6O/c1-13-16(10-14(22)11-23-13)18-6-3-8-27(18)19-7-9-28-20(26-19)17(12-24-28)21(29)25-15-4-2-5-15/h7,9-12,15,18H,2-6,8H2,1H3,(H,25,29)/t18-/m1/s1
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n/an/a 8.60n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127841
PNG
(US10251889, Example 214 | US10758542, Example 214 ...)
Show SMILES CC1(CC1)NC(=O)c1cnn2ccc(nc12)N1[C@H](CO)CC[C@@H]1c1cncc(F)c1 |r|
Show InChI InChI=1S/C21H23FN6O2/c1-21(5-6-21)26-20(30)16-11-24-27-7-4-18(25-19(16)27)28-15(12-29)2-3-17(28)13-8-14(22)10-23-9-13/h4,7-11,15,17,29H,2-3,5-6,12H2,1H3,(H,26,30)/t15-,17+/m0/s1
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n/an/a 8.60n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127698
PNG
(US10251889, Example 71 | US10758542, Example 71 | ...)
Show SMILES CC(C)(CF)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1 |r|
Show InChI InChI=1S/C20H22F2N6O/c1-20(2,12-21)26-19(29)15-11-24-28-7-5-17(25-18(15)28)27-6-3-4-16(27)13-8-14(22)10-23-9-13/h5,7-11,16H,3-4,6,12H2,1-2H3,(H,26,29)/t16-/m1/s1
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n/an/a 8.65n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127858
PNG
(US10251889, Example 231 | US10758542, Example 231 ...)
Show SMILES Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)Nc4cccnc4)c3n2)c1=O |r|
Show InChI InChI=1S/C22H20FN7O2/c1-28-13-14(23)10-16(22(28)32)18-5-3-8-29(18)19-6-9-30-20(27-19)17(12-25-30)21(31)26-15-4-2-7-24-11-15/h2,4,6-7,9-13,18H,3,5,8H2,1H3,(H,26,31)/t18-/m1/s1
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n/an/a 8.70n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127869
PNG
(US10251889, Example 242 | US10758542, Example 242 ...)
Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3cc(n[nH]3)C3CC3)c2n1 |r|
Show InChI InChI=1S/C23H23FN8O2/c1-34-23-15(9-14(24)11-25-23)18-3-2-7-31(18)20-6-8-32-21(28-20)16(12-26-32)22(33)27-19-10-17(29-30-19)13-4-5-13/h6,8-13,18H,2-5,7H2,1H3,(H2,27,29,30,33)/t18-/m1/s1
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n/an/a 8.90n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM344525
PNG
((R)-N-(3-ethyl-1H-pyrazol-5-yl)-5- (2-(5-fluoro-2-...)
Show SMILES CCc1cc(NC(=O)c2cnn3ccc(nc23)N2CCC[C@@H]2c2cc(F)cnc2OC)[nH]n1 |r|
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n/an/a 9n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127725
PNG
(US10251889, Example 98 | US10758542, Example 98 | ...)
Show SMILES Fc1cncc(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3(CC3)C(F)(F)F)c2n1 |r|
Show InChI InChI=1S/C20H18F4N6O/c21-13-8-12(9-25-10-13)15-2-1-6-29(15)16-3-7-30-17(27-16)14(11-26-30)18(31)28-19(4-5-19)20(22,23)24/h3,7-11,15H,1-2,4-6H2,(H,28,31)/t15-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))		BDBM127725
PNG
(US10251889, Example 98 | US10758542, Example 98 | ...)
Show SMILES Fc1cncc(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3(CC3)C(F)(F)F)c2n1 |r|
Show InChI InChI=1S/C20H18F4N6O/c21-13-8-12(9-25-10-13)15-2-1-6-29(15)16-3-7-30-17(27-16)14(11-26-30)18(31)28-19(4-5-19)20(22,23)24/h3,7-11,15H,1-2,4-6H2,(H,28,31)/t15-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Trk enzymatic selectivity was assessed using Omnia™ Kinase Assay reagents from Invitrogen Corp. Enzyme (either TrkA or TrkB from Invitrogen Corp.) an...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127712
PNG
(US10251889, Example 85 | US10758542, Example 85 | ...)
Show SMILES Fc1cc(OCCN2CCOCC2)cc(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r|
Show InChI InChI=1S/C26H31FN6O3/c27-19-14-18(15-21(16-19)36-13-10-31-8-11-35-12-9-31)23-2-1-6-32(23)24-5-7-33-25(30-24)22(17-28-33)26(34)29-20-3-4-20/h5,7,14-17,20,23H,1-4,6,8-13H2,(H,29,34)/t23-/m1/s1
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n/an/a 9.38n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127685
PNG
(US10251889, Example 58 | US10758542, Example 58 | ...)
Show SMILES CC(C)(N)CNC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|
Show InChI InChI=1S/C21H24F2N6O/c1-21(2,24)12-25-20(30)15-11-26-29-9-7-18(27-19(15)29)28-8-3-4-17(28)14-10-13(22)5-6-16(14)23/h5-7,9-11,17H,3-4,8,12,24H2,1-2H3,(H,25,30)/t17-/m1/s1
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n/an/a 9.40n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127768
PNG
(US10251889, Example 141 | US10758542, Example 141 ...)
Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCCNC(=O)OC(C)(C)C)c2n1 |r|
Show InChI InChI=1S/C25H32FN7O4/c1-25(2,3)37-24(35)28-10-6-9-27-22(34)18-15-30-33-12-8-20(31-21(18)33)32-11-5-7-19(32)17-13-16(26)14-29-23(17)36-4/h8,12-15,19H,5-7,9-11H2,1-4H3,(H,27,34)(H,28,35)/t19-/m1/s1
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n/an/a 9.40n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127785
PNG
(US10251889, Example 158 | US10758542, Example 158 ...)
Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCC(C)(C)O)c2n1 |r|
Show InChI InChI=1S/C21H25FN6O3/c1-21(2,30)12-24-19(29)15-11-25-28-8-6-17(26-18(15)28)27-7-4-5-16(27)14-9-13(22)10-23-20(14)31-3/h6,8-11,16,30H,4-5,7,12H2,1-3H3,(H,24,29)/t16-/m1/s1
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n/an/a 9.90n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM127866
PNG
(US10251889, Example 239 | US8791123, 239 | US97824...)
Show SMILES Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)Nc4ccc(F)cn4)c3n2)c1=O |r|
Show InChI InChI=1S/C22H19F2N7O2/c1-29-12-14(24)9-15(22(29)33)17-3-2-7-30(17)19-6-8-31-20(28-19)16(11-26-31)21(32)27-18-5-4-13(23)10-25-18/h4-6,8-12,17H,2-3,7H2,1H3,(H,25,27,32)/t17-/m1/s1
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n/an/a 10.1n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture c...

J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
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