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BDBM127767 US10251889, Example 140::US10758542, Example 140::US8791123, 140::US9782415, Example 140::US9796724, Example 140

SMILES: COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC[C@H](O)CC3)c2n1

InChI Key: InChIKey=WRXZQYJJPXFOIB-HFLHWUEFSA-N

Data: 32 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 127767   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
High affinity nerve growth factor receptor


(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 0.900n/an/an/an/a7.5n/a



Array Biopharma, Inc.

US Patent


Assay Description
An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter ...

US Patent US8791123 (2014)


BindingDB Entry DOI: 10.7270/Q2Q23XX7
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(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>1.00E+3n/an/an/an/an/an/a



Array BioPharma Inc.

US Patent


Assay Description
Tyk2: Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mix...

US Patent US10758542 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(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 546n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak1 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 JAK3


(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>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 Jak3 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
Non-receptor tyrosine-protein kinase TYK2


(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>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 Tyk2 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
High affinity nerve growth factor receptor


(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 0.900n/an/an/an/an/an/a



Array BioPharma, Inc.

US Patent


Assay Description
An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter ...

US Patent US9782415 (2017)


BindingDB Entry DOI: 10.7270/Q2P84F0G
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 US9782415 (2017)


BindingDB Entry DOI: 10.7270/Q2P84F0G
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(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 0.900n/an/an/an/an/an/a



Array BioPharma, Inc.

US Patent


Assay Description
An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter ...

US Patent US9782415 (2017)


BindingDB Entry DOI: 10.7270/Q2P84F0G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(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 546n/an/an/an/an/an/a



Array BioPharma, Inc.

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak1 using the general enzyme inhibition assay method, in which the assay mixture c...

US Patent US9782415 (2017)


BindingDB Entry DOI: 10.7270/Q2P84F0G
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 US9782415 (2017)


BindingDB Entry DOI: 10.7270/Q2P84F0G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(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>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 Jak3 using the general enzyme inhibition assay method, in which the assay mixture c...

US Patent US9782415 (2017)


BindingDB Entry DOI: 10.7270/Q2P84F0G
More data for this
Ligand-Target Pair
Tyk2


(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>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 Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...

US Patent US9782415 (2017)


BindingDB Entry DOI: 10.7270/Q2P84F0G
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 0.900n/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))		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



St. Jude Research Hospital



Assay Description
An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter ...

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))		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 0.900n/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 JAK1


(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 546n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak1 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))		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



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2R49T22
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(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>1.00E+3n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak3 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
Non-receptor tyrosine-protein kinase TYK2


(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>1.00E+3n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 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))		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 0.900n/an/an/an/an/an/a



Array BioPharma, Inc.

US Patent


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

US Patent US9796724 (2017)


BindingDB Entry DOI: 10.7270/Q27M0B21
More data for this
Ligand-Target Pair
JAK2 (aa 808-1132)


(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 US9796724 (2017)


BindingDB Entry DOI: 10.7270/Q27M0B21
More data for this
Ligand-Target Pair
JAK1 (aa 866-1154)


(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 546n/an/an/an/an/an/a



Array BioPharma, Inc.

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak1 using the general enzyme inhibition assay method, in which the assay mixture c...

US Patent US9796724 (2017)


BindingDB Entry DOI: 10.7270/Q27M0B21
More data for this
Ligand-Target Pair
JAK2 (aa 808-1132)


(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 US9796724 (2017)


BindingDB Entry DOI: 10.7270/Q27M0B21
More data for this
Ligand-Target Pair
JAK3 (aa 781-1124)


(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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Array BioPharma, Inc.

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Jak3 using the general enzyme inhibition assay method, in which the assay mixture c...

US Patent US9796724 (2017)


BindingDB Entry DOI: 10.7270/Q27M0B21
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(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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Array BioPharma, Inc.

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...

US Patent US9796724 (2017)


BindingDB Entry DOI: 10.7270/Q27M0B21
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(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 0.900n/an/an/an/an/an/a



Array BioPharma Inc.

US Patent


Assay Description
An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter ...

US Patent US10758542 (2020)

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
Jak2: Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mix...

US Patent US10758542 (2020)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(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 0.900n/an/an/an/an/an/a



Array BioPharma Inc.

US Patent


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

US Patent US10758542 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 (866-1154)


(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 546n/an/an/an/an/an/a



Array BioPharma Inc.

US Patent


Assay Description
Jak1: Compounds of Formula I were screened for their ability to inhibit Jak1 using the general enzyme inhibition assay method, in which the assay mix...

US Patent US10758542 (2020)

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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Array BioPharma Inc.

US Patent


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

US Patent US10758542 (2020)

More data for this
Ligand-Target Pair
JAK3 (aa 781-1124)


(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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Array BioPharma Inc.

US Patent


Assay Description
Jak3: Compounds of Formula I were screened for their ability to inhibit Jak3 using the general enzyme inhibition assay method, in which the assay mix...

US Patent US10758542 (2020)

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