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BDBM127795 US10251889, Example 168::US10758542, Example 168::US8791123, 168::US9796724, Example 168

SMILES: CC(C)(CO)CNC(=O)c1cnn2ccc(nc12)N1CCCC1c1cc(F)ccc1F

InChI Key: InChIKey=YVJSJUUNTJSCDD-UHFFFAOYSA-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 = 127795   
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))
BDBM127795
PNG
(US10251889, Example 168 | US10758542, Example 168 ...)
Show SMILES CC(C)(CO)CNC(=O)c1cnn2ccc(nc12)N1CCCC1c1cc(F)ccc1F
Show InChI InChI=1S/C22H25F2N5O2/c1-22(2,13-30)12-25-21(31)16-11-26-29-9-7-19(27-20(16)29)28-8-3-4-18(28)15-10-14(23)5-6-17(15)24/h5-7,9-11,18,30H,3-4,8,12-13H2,1-2H3,(H,25,31)
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US Patent
n/an/a 1.20n/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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127795
PNG
(US10251889, Example 168 | US10758542, Example 168 ...)
Show SMILES CC(C)(CO)CNC(=O)c1cnn2ccc(nc12)N1CCCC1c1cc(F)ccc1F
Show InChI InChI=1S/C22H25F2N5O2/c1-22(2,13-30)12-25-21(31)16-11-26-29-9-7-19(27-20(16)29)28-8-3-4-18(28)15-10-14(23)5-6-17(15)24/h5-7,9-11,18,30H,3-4,8,12-13H2,1-2H3,(H,25,31)
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US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Array Biopharma, Inc.

US Patent


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


US Patent US8791123 (2014)


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


(Homo sapiens (Human))
BDBM127795
PNG
(US10251889, Example 168 | US10758542, Example 168 ...)
Show SMILES CC(C)(CO)CNC(=O)c1cnn2ccc(nc12)N1CCCC1c1cc(F)ccc1F
Show InChI InChI=1S/C22H25F2N5O2/c1-22(2,13-30)12-25-21(31)16-11-26-29-9-7-19(27-20(16)29)28-8-3-4-18(28)15-10-14(23)5-6-17(15)24/h5-7,9-11,18,30H,3-4,8,12-13H2,1-2H3,(H,25,31)
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n/an/a 1.20n/an/an/an/an/an/a



St. Jude Research Hospital



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


J Med Chem 50: 1876-85 (2007)


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


(Homo sapiens (Human))
BDBM127795
PNG
(US10251889, Example 168 | US10758542, Example 168 ...)
Show SMILES CC(C)(CO)CNC(=O)c1cnn2ccc(nc12)N1CCCC1c1cc(F)ccc1F
Show InChI InChI=1S/C22H25F2N5O2/c1-22(2,13-30)12-25-21(31)16-11-26-29-9-7-19(27-20(16)29)28-8-3-4-18(28)15-10-14(23)5-6-17(15)24/h5-7,9-11,18,30H,3-4,8,12-13H2,1-2H3,(H,25,31)
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US Patent
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))
BDBM127795
PNG
(US10251889, Example 168 | US10758542, Example 168 ...)
Show SMILES CC(C)(CO)CNC(=O)c1cnn2ccc(nc12)N1CCCC1c1cc(F)ccc1F
Show InChI InChI=1S/C22H25F2N5O2/c1-22(2,13-30)12-25-21(31)16-11-26-29-9-7-19(27-20(16)29)28-8-3-4-18(28)15-10-14(23)5-6-17(15)24/h5-7,9-11,18,30H,3-4,8,12-13H2,1-2H3,(H,25,31)
PDB
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US Patent
n/an/a 1.20n/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))
BDBM127795
PNG
(US10251889, Example 168 | US10758542, Example 168 ...)
Show SMILES CC(C)(CO)CNC(=O)c1cnn2ccc(nc12)N1CCCC1c1cc(F)ccc1F
Show InChI InChI=1S/C22H25F2N5O2/c1-22(2,13-30)12-25-21(31)16-11-26-29-9-7-19(27-20(16)29)28-8-3-4-18(28)15-10-14(23)5-6-17(15)24/h5-7,9-11,18,30H,3-4,8,12-13H2,1-2H3,(H,25,31)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
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
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM127795
PNG
(US10251889, Example 168 | US10758542, Example 168 ...)
Show SMILES CC(C)(CO)CNC(=O)c1cnn2ccc(nc12)N1CCCC1c1cc(F)ccc1F
Show InChI InChI=1S/C22H25F2N5O2/c1-22(2,13-30)12-25-21(31)16-11-26-29-9-7-19(27-20(16)29)28-8-3-4-18(28)15-10-14(23)5-6-17(15)24/h5-7,9-11,18,30H,3-4,8,12-13H2,1-2H3,(H,25,31)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.20n/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))
BDBM127795
PNG
(US10251889, Example 168 | US10758542, Example 168 ...)
Show SMILES CC(C)(CO)CNC(=O)c1cnn2ccc(nc12)N1CCCC1c1cc(F)ccc1F
Show InChI InChI=1S/C22H25F2N5O2/c1-22(2,13-30)12-25-21(31)16-11-26-29-9-7-19(27-20(16)29)28-8-3-4-18(28)15-10-14(23)5-6-17(15)24/h5-7,9-11,18,30H,3-4,8,12-13H2,1-2H3,(H,25,31)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
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