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BDBM127821 US10251889, Example 195::US10758542, Example 194::US8791123, 194::US9782415, Example 194::US9796724, Example 194

SMILES: Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NC3CC[C@H](O)CC3)c2n1

InChI Key: InChIKey=FDBFUEIJFKHRQU-HPRBVPRMSA-N

Data: 40 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 40 hits for monomerid = 127821   
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))		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/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))		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>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))		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>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 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))		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>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))		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>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))		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



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))		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>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 US9782415 (2017)


BindingDB Entry DOI: 10.7270/Q2P84F0G
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 7.70n/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))		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>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 US9782415 (2017)


BindingDB Entry DOI: 10.7270/Q2P84F0G
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



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))		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>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 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))		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>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 US9782415 (2017)


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


(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>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
Non-receptor tyrosine-protein kinase TYK2 [886-1187]


(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>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))		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
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>1.00E+3n/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
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
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>1.00E+3n/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))		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 JAK1


(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>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 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))		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>1.00E+3n/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))		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>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))		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>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))		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



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
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 7.70n/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
Tyrosine-protein kinase JAK2 [808-1132]


(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>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 US9796724 (2017)


BindingDB Entry DOI: 10.7270/Q27M0B21
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 [808-1132]


(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>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 US9796724 (2017)


BindingDB Entry DOI: 10.7270/Q27M0B21
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(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>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 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
Tyrosine-protein kinase JAK2 [808-1132]


(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>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 US9796724 (2017)


BindingDB Entry DOI: 10.7270/Q27M0B21
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 [781-1124]


(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>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 US9796724 (2017)


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


(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>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 US9796724 (2017)


BindingDB Entry DOI: 10.7270/Q27M0B21
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 4.70n/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 [808-1132]


(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>1.00E+3n/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))		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



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 [808-1132]


(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>1.00E+3n/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))		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



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))		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>1.00E+3n/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 [808-1132]


(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>1.00E+3n/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
Tyrosine-protein kinase JAK3 [781-1124]


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



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))		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>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