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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2' and Ligand = 'BDBM127784'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127784
PNG
(US10251889, Example 157 | US10758542, Example 157 ...)
Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC[C@@H](C)O)c2n1 |r|
Show InChI InChI=1S/C20H23FN6O3/c1-12(28)9-22-19(29)15-11-24-27-7-5-17(25-18(15)27)26-6-3-4-16(26)14-8-13(21)10-23-20(14)30-2/h5,7-8,10-12,16,28H,3-4,6,9H2,1-2H3,(H,22,29)/t12-,16-/m1/s1
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US Patent
n/an/a 2.80n/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))
BDBM127784
PNG
(US10251889, Example 157 | US10758542, Example 157 ...)
Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC[C@@H](C)O)c2n1 |r|
Show InChI InChI=1S/C20H23FN6O3/c1-12(28)9-22-19(29)15-11-24-27-7-5-17(25-18(15)27)26-6-3-4-16(26)14-8-13(21)10-23-20(14)30-2/h5,7-8,10-12,16,28H,3-4,6,9H2,1-2H3,(H,22,29)/t12-,16-/m1/s1
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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))
BDBM127784
PNG
(US10251889, Example 157 | US10758542, Example 157 ...)
Show SMILES COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC[C@@H](C)O)c2n1 |r|
Show InChI InChI=1S/C20H23FN6O3/c1-12(28)9-22-19(29)15-11-24-27-7-5-17(25-18(15)27)26-6-3-4-16(26)14-8-13(21)10-23-20(14)30-2/h5,7-8,10-12,16,28H,3-4,6,9H2,1-2H3,(H,22,29)/t12-,16-/m1/s1
PDB

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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 US9782415 (2017)


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