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SMILES: C[C@H](NC(=O)c1cnn2ccc(nc12)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1)C(F)(F)F

InChI Key: InChIKey=GZISOCBRRUTHKW-HZUKXOBISA-N

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 = 344501   
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))
BDBM344501
PNG
(US10251889, Example 216 | US10758542, Example 216 ...)
Show SMILES C[C@H](NC(=O)c1cnn2ccc(nc12)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19F4N5O2/c1-11(20(22,23)24)26-19(31)15-9-25-29-6-5-17(27-18(15)29)28-10-14(30)8-16(28)12-3-2-4-13(21)7-12/h2-7,9,11,14,16,30H,8,10H2,1H3,(H,26,31)/t11-,14-,16+/m0/s1
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PC cid
PC sid
UniChem
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n/an/a 3.10n/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))
BDBM344501
PNG
(US10251889, Example 216 | US10758542, Example 216 ...)
Show SMILES C[C@H](NC(=O)c1cnn2ccc(nc12)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19F4N5O2/c1-11(20(22,23)24)26-19(31)15-9-25-29-6-5-17(27-18(15)29)28-10-14(30)8-16(28)12-3-2-4-13(21)7-12/h2-7,9,11,14,16,30H,8,10H2,1H3,(H,26,31)/t11-,14-,16+/m0/s1
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n/an/a 670n/an/an/an/an/an/a



Array BioPharma, Inc.

US Patent


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


US Patent US9782415 (2017)


BindingDB Entry DOI: 10.7270/Q2P84F0G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM344501
PNG
(US10251889, Example 216 | US10758542, Example 216 ...)
Show SMILES C[C@H](NC(=O)c1cnn2ccc(nc12)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19F4N5O2/c1-11(20(22,23)24)26-19(31)15-9-25-29-6-5-17(27-18(15)29)28-10-14(30)8-16(28)12-3-2-4-13(21)7-12/h2-7,9,11,14,16,30H,8,10H2,1H3,(H,26,31)/t11-,14-,16+/m0/s1
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n/an/a 3.10n/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 [808-1132]


(Homo sapiens (Human))
BDBM344501
PNG
(US10251889, Example 216 | US10758542, Example 216 ...)
Show SMILES C[C@H](NC(=O)c1cnn2ccc(nc12)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19F4N5O2/c1-11(20(22,23)24)26-19(31)15-9-25-29-6-5-17(27-18(15)29)28-10-14(30)8-16(28)12-3-2-4-13(21)7-12/h2-7,9,11,14,16,30H,8,10H2,1H3,(H,26,31)/t11-,14-,16+/m0/s1
PDB
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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a 670n/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)


BindingDB Entry DOI: 10.7270/Q2RB77PD
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM344501
PNG
(US10251889, Example 216 | US10758542, Example 216 ...)
Show SMILES C[C@H](NC(=O)c1cnn2ccc(nc12)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19F4N5O2/c1-11(20(22,23)24)26-19(31)15-9-25-29-6-5-17(27-18(15)29)28-10-14(30)8-16(28)12-3-2-4-13(21)7-12/h2-7,9,11,14,16,30H,8,10H2,1H3,(H,26,31)/t11-,14-,16+/m0/s1
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
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n/an/a 3.10n/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
Tyrosine-protein kinase JAK2 [808-1132]


(Homo sapiens (Human))
BDBM344501
PNG
(US10251889, Example 216 | US10758542, Example 216 ...)
Show SMILES C[C@H](NC(=O)c1cnn2ccc(nc12)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19F4N5O2/c1-11(20(22,23)24)26-19(31)15-9-25-29-6-5-17(27-18(15)29)28-10-14(30)8-16(28)12-3-2-4-13(21)7-12/h2-7,9,11,14,16,30H,8,10H2,1H3,(H,26,31)/t11-,14-,16+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 670n/an/an/an/an/an/a



Array BioPharma, Inc.

US Patent


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


US Patent US9796724 (2017)


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


(Homo sapiens (Human))
BDBM344501
PNG
(US10251889, Example 216 | US10758542, Example 216 ...)
Show SMILES C[C@H](NC(=O)c1cnn2ccc(nc12)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19F4N5O2/c1-11(20(22,23)24)26-19(31)15-9-25-29-6-5-17(27-18(15)29)28-10-14(30)8-16(28)12-3-2-4-13(21)7-12/h2-7,9,11,14,16,30H,8,10H2,1H3,(H,26,31)/t11-,14-,16+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.10n/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)


BindingDB Entry DOI: 10.7270/Q2RB77PD
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM344501
PNG
(US10251889, Example 216 | US10758542, Example 216 ...)
Show SMILES C[C@H](NC(=O)c1cnn2ccc(nc12)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19F4N5O2/c1-11(20(22,23)24)26-19(31)15-9-25-29-6-5-17(27-18(15)29)28-10-14(30)8-16(28)12-3-2-4-13(21)7-12/h2-7,9,11,14,16,30H,8,10H2,1H3,(H,26,31)/t11-,14-,16+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 670n/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