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BDBM344325 US10251889, Example 34::US10758542, Example 34::US9782415, Example 34::US9796724, Example 34

SMILES: OCc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)CC3)c2n1

InChI Key: InChIKey=RJWUXXDSPBTHTI-DBXWQHBBSA-N

Data: 8 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 8 hits for monomerid = 344325   
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))
BDBM344325
PNG
(US10251889, Example 34 | US10758542, Example 34 | ...)
Show SMILES OCc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)CC3)c2n1 |r,wU:24.25,wD:9.9,27.29,(-6.68,.7,;-7.08,2.19,;-5.99,3.28,;-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,;6.64,-2.52,;7.04,-4.01,;5.95,-5.1,;6.35,-6.59,;4.46,-4.7,;4.06,-3.21,;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)/t17-,18-,21-/m1/s1
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n/an/a 1.10n/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))
BDBM344325
PNG
(US10251889, Example 34 | US10758542, Example 34 | ...)
Show SMILES OCc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)CC3)c2n1 |r,wU:24.25,wD:9.9,27.29,(-6.68,.7,;-7.08,2.19,;-5.99,3.28,;-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,;6.64,-2.52,;7.04,-4.01,;5.95,-5.1,;6.35,-6.59,;4.46,-4.7,;4.06,-3.21,;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)/t17-,18-,21-/m1/s1
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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 JAK2


(Homo sapiens (Human))
BDBM344325
PNG
(US10251889, Example 34 | US10758542, Example 34 | ...)
Show SMILES OCc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)CC3)c2n1 |r,wU:24.25,wD:9.9,27.29,(-6.68,.7,;-7.08,2.19,;-5.99,3.28,;-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,;6.64,-2.52,;7.04,-4.01,;5.95,-5.1,;6.35,-6.59,;4.46,-4.7,;4.06,-3.21,;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)/t17-,18-,21-/m1/s1
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St. Jude Research Hospital



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


J Med Chem 50: 1876-85 (2007)


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


(Homo sapiens (Human))
BDBM344325
PNG
(US10251889, Example 34 | US10758542, Example 34 | ...)
Show SMILES OCc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)CC3)c2n1 |r,wU:24.25,wD:9.9,27.29,(-6.68,.7,;-7.08,2.19,;-5.99,3.28,;-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,;6.64,-2.52,;7.04,-4.01,;5.95,-5.1,;6.35,-6.59,;4.46,-4.7,;4.06,-3.21,;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)/t17-,18-,21-/m1/s1
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n/an/a 42.3n/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))
BDBM344325
PNG
(US10251889, Example 34 | US10758542, Example 34 | ...)
Show SMILES OCc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)CC3)c2n1 |r,wU:24.25,wD:9.9,27.29,(-6.68,.7,;-7.08,2.19,;-5.99,3.28,;-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,;6.64,-2.52,;7.04,-4.01,;5.95,-5.1,;6.35,-6.59,;4.46,-4.7,;4.06,-3.21,;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)/t17-,18-,21-/m1/s1
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n/an/a 1.10n/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))
BDBM344325
PNG
(US10251889, Example 34 | US10758542, Example 34 | ...)
Show SMILES OCc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)CC3)c2n1 |r,wU:24.25,wD:9.9,27.29,(-6.68,.7,;-7.08,2.19,;-5.99,3.28,;-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,;6.64,-2.52,;7.04,-4.01,;5.95,-5.1,;6.35,-6.59,;4.46,-4.7,;4.06,-3.21,;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)/t17-,18-,21-/m1/s1
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US Patent
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 US9796724 (2017)


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


(Homo sapiens (Human))
BDBM344325
PNG
(US10251889, Example 34 | US10758542, Example 34 | ...)
Show SMILES OCc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)CC3)c2n1 |r,wU:24.25,wD:9.9,27.29,(-6.68,.7,;-7.08,2.19,;-5.99,3.28,;-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,;6.64,-2.52,;7.04,-4.01,;5.95,-5.1,;6.35,-6.59,;4.46,-4.7,;4.06,-3.21,;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)/t17-,18-,21-/m1/s1
PDB
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n/an/a 1.10n/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
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM344325
PNG
(US10251889, Example 34 | US10758542, Example 34 | ...)
Show SMILES OCc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)CC3)c2n1 |r,wU:24.25,wD:9.9,27.29,(-6.68,.7,;-7.08,2.19,;-5.99,3.28,;-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,;6.64,-2.52,;7.04,-4.01,;5.95,-5.1,;6.35,-6.59,;4.46,-4.7,;4.06,-3.21,;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)/t17-,18-,21-/m1/s1
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n/an/a 42.3n/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