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Compile Data Set for Download or QSAR

Found 230 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 6414   
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))
BDBM127660
PNG
(US8791123, 33)
Show SMILES OC(=O)C1CCC(CC1)NC(=O)c1cnn2ccc(nc12)N1CCCC1c1cc(F)ccc1F |(4.86,-7.13,;5.95,-6.04,;7.44,-6.44,;5.55,-4.55,;4.06,-4.15,;3.66,-2.67,;4.75,-1.58,;6.24,-1.98,;6.64,-3.46,;4.35,-.09,;2.87,.31,;1.78,-.78,;2.47,1.8,;3.37,3.04,;2.47,4.29,;1,3.81,;-.33,4.58,;-1.66,3.81,;-1.66,2.27,;-.33,1.5,;1,2.27,;-3,1.5,;-3,-.04,;-4.46,-.51,;-5.37,.73,;-4.46,1.98,;-4.86,3.46,;-3.77,4.55,;-4.17,6.04,;-3.08,7.13,;-5.66,6.44,;-6.75,5.35,;-6.35,3.86,;-7.44,2.77,)|
Show InChI InChI=1S/C24H25F2N5O3/c25-15-5-8-19(26)17(12-15)20-2-1-10-30(20)21-9-11-31-22(29-21)18(13-27-31)23(32)28-16-6-3-14(4-7-16)24(33)34/h5,8-9,11-14,16,20H,1-4,6-7,10H2,(H,28,32)(H,33,34)
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n/an/a 23.4n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127661
PNG
(US8791123, 34)
Show SMILES OCc1ccc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3CCC(O)CC3)c2n1 |(-6.64,.74,;-7.04,2.23,;-5.95,3.32,;-6.35,4.81,;-5.26,5.9,;-3.77,5.5,;-2.68,6.59,;-3.37,4.01,;-4.46,2.92,;-4.06,1.43,;-4.97,.19,;-4.06,-1.06,;-2.6,-.58,;-2.6,.96,;-1.26,1.73,;-1.26,3.27,;.07,4.04,;1.4,3.27,;2.87,3.74,;3.77,2.5,;2.87,1.25,;3.27,-.24,;2.18,-1.33,;4.75,-.64,;5.15,-2.12,;4.06,-3.21,;4.46,-4.7,;5.95,-5.1,;6.35,-6.59,;7.04,-4.01,;6.64,-2.52,;1.4,1.73,;.07,.96,)|
Show InChI InChI=1S/C24H28FN5O3/c25-16-4-3-15(14-31)19(12-16)21-2-1-10-29(21)22-9-11-30-23(28-22)20(13-26-30)24(33)27-17-5-7-18(32)8-6-17/h3-4,9,11-13,17-18,21,31-32H,1-2,5-8,10,14H2,(H,27,33)
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n/an/a 42.3n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127767
PNG
(US10251889, Example 140 | US10758542, Example 140 ...)
Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC[C@H](O)CC3)c2n1 |r,wD:9.9,27.29,(-7.78,2.63,;-6.29,2.23,;-5.21,3.32,;-5.6,4.81,;-4.51,5.9,;-3.03,5.5,;-1.94,6.59,;-2.63,4.01,;-3.72,2.92,;-3.32,1.43,;-4.22,.19,;-3.32,-1.06,;-1.85,-.58,;-1.85,.96,;-.52,1.73,;-.52,3.27,;.81,4.04,;2.15,3.27,;3.61,3.74,;4.52,2.5,;3.61,1.25,;4.01,-.24,;2.92,-1.33,;5.5,-.64,;5.9,-2.12,;7.38,-2.52,;7.78,-4.01,;6.69,-5.1,;7.09,-6.59,;5.21,-4.7,;4.81,-3.21,;2.15,1.73,;.81,.96,)|
Show InChI InChI=1S/C23H27FN6O3/c1-33-23-17(11-14(24)12-25-23)19-3-2-9-29(19)20-8-10-30-21(28-20)18(13-26-30)22(32)27-15-4-6-16(31)7-5-15/h8,10-13,15-16,19,31H,2-7,9H2,1H3,(H,27,32)/t15?,16-,19-/m1/s1
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n/an/a 76.7n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127634
PNG
(US10251889, Example 7 | US10758542, Example 7 | US...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r,wU:4.7,wD:23.27,1.0,(6.35,-6.59,;5.95,-5.1,;7.04,-4.01,;6.64,-2.52,;5.15,-2.12,;4.06,-3.21,;4.46,-4.7,;4.75,-.64,;3.27,-.24,;2.18,-1.33,;2.87,1.25,;3.77,2.5,;2.87,3.74,;1.4,3.27,;.07,4.04,;-1.26,3.27,;-1.26,1.73,;.07,.96,;1.4,1.73,;-2.6,.96,;-2.6,-.58,;-4.06,-1.06,;-4.97,.19,;-4.06,1.43,;-4.46,2.92,;-3.37,4.01,;-3.77,5.5,;-2.68,6.59,;-5.26,5.9,;-6.35,4.81,;-5.95,3.32,;-7.04,2.23,)|
Show InChI InChI=1S/C23H25F2N5O2/c24-14-3-8-19(25)17(12-14)20-2-1-10-29(20)21-9-11-30-22(28-21)18(13-26-30)23(32)27-15-4-6-16(31)7-5-15/h3,8-9,11-13,15-16,20,31H,1-2,4-7,10H2,(H,27,32)/t15-,16-,20-/m1/s1
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n/an/a 107n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127642
PNG
(US10251889, Example 15 | US10758542, Example 15 | ...)
Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC4CCC3C4)c2n1 |r,THB:22:23:26.27:29|
Show InChI InChI=1S/C24H25F2N5O/c25-16-5-6-19(26)17(12-16)21-2-1-8-30(21)22-7-9-31-23(29-22)18(13-27-31)24(32)28-20-11-14-3-4-15(20)10-14/h5-7,9,12-15,20-21H,1-4,8,10-11H2,(H,28,32)/t14?,15?,20-,21+/m0/s1
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n/an/a 156n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127678
PNG
(US8791123, 51)
Show SMILES C[C@@]1(O)CCC(CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r,w:8.8,wU:1.1,wD:24.28,1.0,(5.55,-6.59,;5.95,-5.1,;7.04,-6.19,;7.04,-4.01,;6.64,-2.52,;5.15,-2.12,;4.06,-3.21,;4.46,-4.7,;4.75,-.64,;3.27,-.24,;2.18,-1.33,;2.87,1.25,;3.77,2.5,;2.87,3.74,;1.4,3.27,;.07,4.04,;-1.26,3.27,;-1.26,1.73,;.07,.96,;1.4,1.73,;-2.6,.96,;-2.6,-.58,;-4.06,-1.06,;-4.97,.19,;-4.06,1.43,;-4.46,2.92,;-3.37,4.01,;-3.77,5.5,;-2.68,6.59,;-5.26,5.9,;-6.35,4.81,;-5.95,3.32,;-7.04,2.23,)|
Show InChI InChI=1S/C24H27F2N5O2/c1-24(33)9-6-16(7-10-24)28-23(32)18-14-27-31-12-8-21(29-22(18)31)30-11-2-3-20(30)17-13-15(25)4-5-19(17)26/h4-5,8,12-14,16,20,33H,2-3,6-7,9-11H2,1H3,(H,28,32)/t16?,20-,24-/m1/s1
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n/an/a 186n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127672
PNG
(US8791123, 45)
Show SMILES NS(=O)(=O)N1CCC(CC1)NC(=O)c1cnn2ccc(nc12)N1CCCC1c1cc(F)ccc1F
Show InChI InChI=1S/C22H25F2N7O3S/c23-14-3-4-18(24)16(12-14)19-2-1-8-30(19)20-7-11-31-21(28-20)17(13-26-31)22(32)27-15-5-9-29(10-6-15)35(25,33)34/h3-4,7,11-13,15,19H,1-2,5-6,8-10H2,(H,27,32)(H2,25,33,34)
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n/an/a 195n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127647
PNG
(US10251889, Example 20 | US10758542, Example 20 | ...)
Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCOCC3)c2n1 |r|
Show InChI InChI=1S/C22H23F2N5O2/c23-14-3-4-18(24)16(12-14)19-2-1-8-28(19)20-5-9-29-21(27-20)17(13-25-29)22(30)26-15-6-10-31-11-7-15/h3-5,9,12-13,15,19H,1-2,6-8,10-11H2,(H,26,30)/t19-/m1/s1
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n/an/a 257n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127662
PNG
(US10251889, Example 35 | US10758542, Example 35 | ...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cccc(F)c1 |r,wU:4.7,wD:23.27,1.0,(6,-6.59,;5.6,-5.1,;6.69,-4.01,;6.29,-2.52,;4.81,-2.12,;3.72,-3.21,;4.12,-4.7,;4.41,-.64,;2.92,-.24,;1.83,-1.33,;2.52,1.25,;3.43,2.5,;2.52,3.74,;1.06,3.27,;-.28,4.04,;-1.61,3.27,;-1.61,1.73,;-.28,.96,;1.06,1.73,;-2.94,.96,;-2.94,-.58,;-4.41,-1.06,;-5.31,.19,;-4.41,1.43,;-4.81,2.92,;-6.29,3.32,;-6.69,4.81,;-5.6,5.9,;-4.12,5.5,;-3.03,6.59,;-3.72,4.01,)|
Show InChI InChI=1S/C23H26FN5O2/c24-16-4-1-3-15(13-16)20-5-2-11-28(20)21-10-12-29-22(27-21)19(14-25-29)23(31)26-17-6-8-18(30)9-7-17/h1,3-4,10,12-14,17-18,20,30H,2,5-9,11H2,(H,26,31)/t17-,18-,20-/m1/s1
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n/an/a 278n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127862
PNG
(US10251889, Example 235 | US10758542, Example 235 ...)
Show SMILES C[C@@H](NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)cn(C)c1=O)C1CC1 |r|
Show InChI InChI=1S/C22H25FN6O2/c1-13(14-5-6-14)25-21(30)17-11-24-29-9-7-19(26-20(17)29)28-8-3-4-18(28)16-10-15(23)12-27(2)22(16)31/h7,9-14,18H,3-6,8H2,1-2H3,(H,25,30)/t13-,18-/m1/s1
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n/an/a 311n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127671
PNG
(US8791123, 44)
Show SMILES CS(=O)(=O)N1CCC(CC1)NC(=O)c1cnn2ccc(nc12)N1CCCC1c1cc(F)ccc1F
Show InChI InChI=1S/C23H26F2N6O3S/c1-35(33,34)29-10-6-16(7-11-29)27-23(32)18-14-26-31-12-8-21(28-22(18)31)30-9-2-3-20(30)17-13-15(24)4-5-19(17)25/h4-5,8,12-14,16,20H,2-3,6-7,9-11H2,1H3,(H,27,32)
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n/an/a 388n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127677
PNG
(US10251889, Example 51 | US10758542, Example 51 | ...)
Show SMILES C[C@@]1(O)CCC(CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r,w:8.8,wU:1.0,wD:24.28,1.1,(7.04,-6.19,;5.95,-5.1,;5.55,-6.59,;4.46,-4.7,;4.06,-3.21,;5.15,-2.12,;6.64,-2.52,;7.04,-4.01,;4.75,-.64,;3.27,-.24,;2.18,-1.33,;2.87,1.25,;3.77,2.5,;2.87,3.74,;1.4,3.27,;.07,4.04,;-1.26,3.27,;-1.26,1.73,;.07,.96,;1.4,1.73,;-2.6,.96,;-2.6,-.58,;-4.06,-1.06,;-4.97,.19,;-4.06,1.43,;-4.46,2.92,;-3.37,4.01,;-3.77,5.5,;-2.68,6.59,;-5.26,5.9,;-6.35,4.81,;-5.95,3.32,;-7.04,2.23,)|
Show InChI InChI=1S/C24H27F2N5O2/c1-24(33)9-6-16(7-10-24)28-23(32)18-14-27-31-12-8-21(29-22(18)31)30-11-2-3-20(30)17-13-15(25)4-5-19(17)26/h4-5,8,12-14,16,20,33H,2-3,6-7,9-11H2,1H3,(H,28,32)/t16?,20-,24-/m1/s1
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n/an/a 418n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127863
PNG
(US10251889, Example 236 | US10758542, Example 236 ...)
Show SMILES C[C@H](NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)cn(C)c1=O)C1CC1 |r|
Show InChI InChI=1S/C22H25FN6O2/c1-13(14-5-6-14)25-21(30)17-11-24-29-9-7-19(26-20(17)29)28-8-3-4-18(28)16-10-15(23)12-27(2)22(16)31/h7,9-14,18H,3-6,8H2,1-2H3,(H,25,30)/t13-,18+/m0/s1
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n/an/a 419n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127675
PNG
(US8791123, 48)
Show SMILES OCc1ccc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1
Show InChI InChI=1S/C21H22FN5O2/c22-14-4-3-13(12-28)16(10-14)18-2-1-8-26(18)19-7-9-27-20(25-19)17(11-23-27)21(29)24-15-5-6-15/h3-4,7,9-11,15,18,28H,1-2,5-6,8,12H2,(H,24,29)
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n/an/a 429n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127789
PNG
(US10251889, Example 162 | US8791123, 162 | US97824...)
Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCN(CC3)S(C)(=O)=O)c2n1 |r|
Show InChI InChI=1S/C23H28FN7O4S/c1-35-23-17(12-15(24)13-25-23)19-4-3-8-30(19)20-7-11-31-21(28-20)18(14-26-31)22(32)27-16-5-9-29(10-6-16)36(2,33)34/h7,11-14,16,19H,3-6,8-10H2,1-2H3,(H,27,32)/t19-/m1/s1
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n/an/a 444n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127854
PNG
(US10251889, Example 227 | US10758542, Example 227 ...)
Show SMILES CC(C)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)cn(C)c1=O |r|
Show InChI InChI=1S/C20H23FN6O2/c1-12(2)23-19(28)15-10-22-27-8-6-17(24-18(15)27)26-7-4-5-16(26)14-9-13(21)11-25(3)20(14)29/h6,8-12,16H,4-5,7H2,1-3H3,(H,23,28)/t16-/m1/s1
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n/an/a 446n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127641
PNG
(US10251889, Example 14 | US10758542, Example 14 | ...)
Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CCC3)c2n1 |r|
Show InChI InChI=1S/C21H21F2N5O/c22-13-6-7-17(23)15(11-13)18-5-2-9-27(18)19-8-10-28-20(26-19)16(12-24-28)21(29)25-14-3-1-4-14/h6-8,10-12,14,18H,1-5,9H2,(H,25,29)/t18-/m1/s1
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n/an/a 470n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127717
PNG
(US10251889, Example 90 | US10758542, Example 90 | ...)
Show SMILES COCCOc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r|
Show InChI InChI=1S/C23H26FN5O3/c1-31-11-12-32-20-7-4-15(24)13-17(20)19-3-2-9-28(19)21-8-10-29-22(27-21)18(14-25-29)23(30)26-16-5-6-16/h4,7-8,10,13-14,16,19H,2-3,5-6,9,11-12H2,1H3,(H,26,30)/t19-/m1/s1
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n/an/a 472n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127865
PNG
(US10251889, Example 238 | US10758542, Example 238 ...)
Show SMILES Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC4CC[C@H](O)CC4)c3n2)c1=O |r,wD:7.6,25.26,(-7.44,5.2,;-5.95,4.81,;-4.86,5.9,;-3.37,5.5,;-2.28,6.59,;-2.97,4.01,;-4.06,2.92,;-3.66,1.43,;-4.57,.19,;-3.66,-1.06,;-2.2,-.58,;-2.2,.96,;-.87,1.73,;-.87,3.27,;.47,4.04,;1.8,3.27,;3.27,3.74,;4.17,2.5,;3.27,1.25,;3.66,-.24,;2.58,-1.33,;5.15,-.64,;5.55,-2.12,;7.04,-2.52,;7.44,-4.01,;6.35,-5.1,;6.75,-6.59,;4.86,-4.7,;4.46,-3.21,;1.8,1.73,;.47,.96,;-5.55,3.32,;-6.64,2.23,)|
Show InChI InChI=1S/C23H27FN6O3/c1-28-13-14(24)11-17(23(28)33)19-3-2-9-29(19)20-8-10-30-21(27-20)18(12-25-30)22(32)26-15-4-6-16(31)7-5-15/h8,10-13,15-16,19,31H,2-7,9H2,1H3,(H,26,32)/t15?,16-,19-/m1/s1
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n/an/a 499n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127781
PNG
(US10251889, Example 154 | US10758542, Example 154 ...)
Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)C3)c2n1 |r|
Show InChI InChI=1S/C22H25FN6O3/c1-32-22-16(9-13(23)11-24-22)18-3-2-7-28(18)19-6-8-29-20(27-19)17(12-25-29)21(31)26-14-4-5-15(30)10-14/h6,8-9,11-12,14-15,18,30H,2-5,7,10H2,1H3,(H,26,31)/t14-,15-,18+/m0/s1
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n/an/a 524n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
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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n/an/a 551n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127691
PNG
(US10251889, Example 64 | US10758542, Example 64 | ...)
Show SMILES NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1C(F)(F)F |r|
Show InChI InChI=1S/C18H15F4N5O/c19-10-3-4-13(18(20,21)22)11(8-10)14-2-1-6-26(14)15-5-7-27-17(25-15)12(9-24-27)16(23)28/h3-5,7-9,14H,1-2,6H2,(H2,23,28)/t14-/m1/s1
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n/an/a 575n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127864
PNG
(US10251889, Example 237 | US10758542, Example 237 ...)
Show SMILES Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC4(C)CC4)c3n2)c1=O |r|
Show InChI InChI=1S/C21H23FN6O2/c1-21(6-7-21)25-19(29)15-11-23-28-9-5-17(24-18(15)28)27-8-3-4-16(27)14-10-13(22)12-26(2)20(14)30/h5,9-12,16H,3-4,6-8H2,1-2H3,(H,25,29)/t16-/m1/s1
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n/an/a 616n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127857
PNG
(US10251889, Example 230 | US10758542, Example 230 ...)
Show SMILES Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC4CCC4)c3n2)c1=O |r|
Show InChI InChI=1S/C21H23FN6O2/c1-26-12-13(22)10-15(21(26)30)17-6-3-8-27(17)18-7-9-28-19(25-18)16(11-23-28)20(29)24-14-4-2-5-14/h7,9-12,14,17H,2-6,8H2,1H3,(H,24,29)/t17-/m1/s1
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n/an/a 666n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127708
PNG
(US8791123, 81)
Show SMILES CC(C)(CF)NC(=O)c1cnn2ccc(nc12)N1CCCC1c1cc(F)cnc1CO
Show InChI InChI=1S/C21H24F2N6O2/c1-21(2,12-22)27-20(31)15-10-25-29-7-5-18(26-19(15)29)28-6-3-4-17(28)14-8-13(23)9-24-16(14)11-30/h5,7-10,17,30H,3-4,6,11-12H2,1-2H3,(H,27,31)
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n/an/a 666n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127843
PNG
(US8791123, 216)
Show SMILES CC(NC(=O)c1cnn2ccc(nc12)N1CC(O)CC1c1cccc(F)c1)C(F)(F)F
Show InChI InChI=1S/C20H19F4N5O2/c1-11(20(22,23)24)26-19(31)15-9-25-29-6-5-17(27-18(15)29)28-10-14(30)8-16(28)12-3-2-4-13(21)7-12/h2-7,9,11,14,16,30H,8,10H2,1H3,(H,26,31)
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n/an/a 670n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127706
PNG
(US8791123, 79)
Show SMILES OCc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1
Show InChI InChI=1S/C20H21FN6O2/c21-12-8-14(16(11-28)22-9-12)17-2-1-6-26(17)18-5-7-27-19(25-18)15(10-23-27)20(29)24-13-3-4-13/h5,7-10,13,17,28H,1-4,6,11H2,(H,24,29)
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n/an/a 698n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127688
PNG
(US10251889, Example 61 | US10758542, Example 61 | ...)
Show SMILES F[C@H]1CNCC[C@H]1NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|
Show InChI InChI=1S/C22H23F3N6O/c23-13-3-4-16(24)14(10-13)19-2-1-8-30(19)20-6-9-31-21(29-20)15(11-27-31)22(32)28-18-5-7-26-12-17(18)25/h3-4,6,9-11,17-19,26H,1-2,5,7-8,12H2,(H,28,32)/t17-,18+,19+/m0/s1
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n/an/a 699n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127751
PNG
(US10251889, Example 124 | US10758542, Example 124 ...)
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+/m0/s1
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n/an/a 759n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127796
PNG
(US10251889, Example 169 | US10758542, Example 169 ...)
Show SMILES O[C@H]1CC[C@@H](C1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|
Show InChI InChI=1S/C22H23F2N5O2/c23-13-3-6-18(24)16(10-13)19-2-1-8-28(19)20-7-9-29-21(27-20)17(12-25-29)22(31)26-14-4-5-15(30)11-14/h3,6-7,9-10,12,14-15,19,30H,1-2,4-5,8,11H2,(H,26,31)/t14-,15-,19+/m0/s1
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n/an/a 759n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127707
PNG
(US8791123, 80)
Show SMILES CC(C)(C)NC(=O)c1cnn2ccc(nc12)N1CCCC1c1cc(F)cnc1CO
Show InChI InChI=1S/C21H25FN6O2/c1-21(2,3)26-20(30)15-11-24-28-8-6-18(25-19(15)28)27-7-4-5-17(27)14-9-13(22)10-23-16(14)12-29/h6,8-11,17,29H,4-5,7,12H2,1-3H3,(H,26,30)
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n/an/a 869n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127643
PNG
(US10251889, Example 16 | US10758542, Example 16 | ...)
Show SMILES OCC1(CC1)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|
Show InChI InChI=1S/C21H21F2N5O2/c22-13-3-4-16(23)14(10-13)17-2-1-8-27(17)18-5-9-28-19(25-18)15(11-24-28)20(30)26-21(12-29)6-7-21/h3-5,9-11,17,29H,1-2,6-8,12H2,(H,26,30)/t17-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127644
PNG
(US10251889, Example 17 | US10758542, Example 17 | ...)
Show SMILES CC(C)(O)CNC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|
Show InChI InChI=1S/C21H23F2N5O2/c1-21(2,30)12-24-20(29)15-11-25-28-9-7-18(26-19(15)28)27-8-3-4-17(27)14-10-13(22)5-6-16(14)23/h5-7,9-11,17,30H,3-4,8,12H2,1-2H3,(H,24,29)/t17-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127645
PNG
(US10251889, Example 18 | US10758542, Example 18 | ...)
Show SMILES O[C@H]1CCN(C1)C(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|
Show InChI InChI=1S/C21H21F2N5O2/c22-13-3-4-17(23)15(10-13)18-2-1-7-27(18)19-6-9-28-20(25-19)16(11-24-28)21(30)26-8-5-14(29)12-26/h3-4,6,9-11,14,18,29H,1-2,5,7-8,12H2/t14-,18+/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127646
PNG
(US10251889, Example 19 | US10758542, Example 19 | ...)
Show SMILES O[C@@H]1CCN(C1)C(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|
Show InChI InChI=1S/C21H21F2N5O2/c22-13-3-4-17(23)15(10-13)18-2-1-7-27(18)19-6-9-28-20(25-19)16(11-24-28)21(30)26-8-5-14(29)12-26/h3-4,6,9-11,14,18,29H,1-2,5,7-8,12H2/t14-,18-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127648
PNG
(US10251889, Example 21 | US10758542, Example 21 | ...)
Show SMILES Cn1cnc(CNC(=O)c2cnn3ccc(nc23)N2CCC[C@@H]2c2cc(F)ccc2F)c1 |r|
Show InChI InChI=1S/C22H21F2N7O/c1-29-12-15(26-13-29)10-25-22(32)17-11-27-31-8-6-20(28-21(17)31)30-7-2-3-19(30)16-9-14(23)4-5-18(16)24/h4-6,8-9,11-13,19H,2-3,7,10H2,1H3,(H,25,32)/t19-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127649
PNG
(US10251889, Example 22 | US10758542, Example 22 | ...)
Show SMILES Cn1cc(CNC(=O)c2cnn3ccc(nc23)N2CCC[C@@H]2c2cc(F)ccc2F)cn1 |r|
Show InChI InChI=1S/C22H21F2N7O/c1-29-13-14(11-26-29)10-25-22(32)17-12-27-31-8-6-20(28-21(17)31)30-7-2-3-19(30)16-9-15(23)4-5-18(16)24/h4-6,8-9,11-13,19H,2-3,7,10H2,1H3,(H,25,32)/t19-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127650
PNG
(US10251889, Example 23 | US10758542, Example 23 | ...)
Show SMILES Cn1cncc1CCNC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|
Show InChI InChI=1S/C23H23F2N7O/c1-30-14-26-12-16(30)6-8-27-23(33)18-13-28-32-10-7-21(29-22(18)32)31-9-2-3-20(31)17-11-15(24)4-5-19(17)25/h4-5,7,10-14,20H,2-3,6,8-9H2,1H3,(H,27,33)/t20-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127651
PNG
(US10251889, Example 24 | US10758542, Example 24 | ...)
Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NCCN3CCNC3=O)c2n1 |r|
Show InChI InChI=1S/C22H23F2N7O2/c23-14-3-4-17(24)15(12-14)18-2-1-8-30(18)19-5-9-31-20(28-19)16(13-27-31)21(32)25-6-10-29-11-7-26-22(29)33/h3-5,9,12-13,18H,1-2,6-8,10-11H2,(H,25,32)(H,26,33)/t18-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127652
PNG
(US8791123, 25)
Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NCCc3cnc[nH]3)c2n1 |r|
Show InChI InChI=1S/C22H21F2N7O/c23-14-3-4-18(24)16(10-14)19-2-1-8-30(19)20-6-9-31-21(29-20)17(12-28-31)22(32)26-7-5-15-11-25-13-27-15/h3-4,6,9-13,19H,1-2,5,7-8H2,(H,25,27)(H,26,32)/t19-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127653
PNG
(US10251889, Example 26 | US10758542, Example 26 | ...)
Show SMILES OC[C@H](O)CNC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|
Show InChI InChI=1S/C20H21F2N5O3/c21-12-3-4-16(22)14(8-12)17-2-1-6-26(17)18-5-7-27-19(25-18)15(10-24-27)20(30)23-9-13(29)11-28/h3-5,7-8,10,13,17,28-29H,1-2,6,9,11H2,(H,23,30)/t13-,17-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127654
PNG
(US10251889, Example 27 | US10758542, Example 27 | ...)
Show SMILES CN(C)C(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|
Show InChI InChI=1S/C19H19F2N5O/c1-24(2)19(27)14-11-22-26-9-7-17(23-18(14)26)25-8-3-4-16(25)13-10-12(20)5-6-15(13)21/h5-7,9-11,16H,3-4,8H2,1-2H3/t16-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127655
PNG
(US10251889, Example 28 | US10758542, Example 28 | ...)
Show SMILES Fc1ccc(F)c(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NCCn3ccnc3)c2n1 |r|
Show InChI InChI=1S/C22H21F2N7O/c23-15-3-4-18(24)16(12-15)19-2-1-8-30(19)20-5-9-31-21(28-20)17(13-27-31)22(32)26-7-11-29-10-6-25-14-29/h3-6,9-10,12-14,19H,1-2,7-8,11H2,(H,26,32)/t19-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127656
PNG
(US10251889, Example 29 | US10758542, Example 29 | ...)
Show SMILES OC[C@@H](O)CNC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|
Show InChI InChI=1S/C20H21F2N5O3/c21-12-3-4-16(22)14(8-12)17-2-1-6-26(17)18-5-7-27-19(25-18)15(10-24-27)20(30)23-9-13(29)11-28/h3-5,7-8,10,13,17,28-29H,1-2,6,9,11H2,(H,23,30)/t13-,17+/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127657
PNG
(US10251889, Example 30 | US10758542, Example 30 | ...)
Show SMILES NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|
Show InChI InChI=1S/C17H15F2N5O/c18-10-3-4-13(19)11(8-10)14-2-1-6-23(14)15-5-7-24-17(22-15)12(9-21-24)16(20)25/h3-5,7-9,14H,1-2,6H2,(H2,20,25)/t14-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127658
PNG
(US10251889, Example 31 | US10758542, Example 31 | ...)
Show SMILES OC1CN(C1)C(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|
Show InChI InChI=1S/C20H19F2N5O2/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(29)25-10-13(28)11-25/h3-5,7-9,13,17,28H,1-2,6,10-11H2/t17-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
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>1.00E+3n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127663
PNG
(US10251889, Example 36 | US10758542, Example 36 | ...)
Show SMILES CC(C)(C)NC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C21H24FN5O/c1-21(2,3)25-20(28)16-13-23-27-11-9-18(24-19(16)27)26-10-5-8-17(26)14-6-4-7-15(22)12-14/h4,6-7,9,11-13,17H,5,8,10H2,1-3H3,(H,25,28)/t17-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127664
PNG
(US10251889, Example 37 | US10758542, Example 37 | ...)
Show SMILES Fc1cccc(c1)[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 |r|
Show InChI InChI=1S/C20H20FN5O/c21-14-4-1-3-13(11-14)17-5-2-9-25(17)18-8-10-26-19(24-18)16(12-22-26)20(27)23-15-6-7-15/h1,3-4,8,10-12,15,17H,2,5-7,9H2,(H,23,27)/t17-/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127665
PNG
(US8791123, 38)
Show SMILES CC(C)(NC(=O)c1cnn2ccc(nc12)N1CCCC1c1cc(F)ccc1F)C#N
Show InChI InChI=1S/C21H20F2N6O/c1-21(2,12-24)27-20(30)15-11-25-29-9-7-18(26-19(15)29)28-8-3-4-17(28)14-10-13(22)5-6-16(14)23/h5-7,9-11,17H,3-4,8H2,1-2H3,(H,27,30)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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...


US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
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