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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 = 'BDBM127715'   
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))
BDBM127715
PNG
(US10251889, Example 88 | US10758542, Example 88 | ...)
Show SMILES OC[C@H](O)CONC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|
Show InChI InChI=1S/C20H21F2N5O4/c21-12-3-4-16(22)14(8-12)17-2-1-6-26(17)18-5-7-27-19(24-18)15(9-23-27)20(30)25-31-11-13(29)10-28/h3-5,7-9,13,17,28-29H,1-2,6,10-11H2,(H,25,30)/t13-,17+/m0/s1
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US Patent
n/an/a 6.13n/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))
BDBM127715
PNG
(US10251889, Example 88 | US10758542, Example 88 | ...)
Show SMILES OC[C@H](O)CONC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|
Show InChI InChI=1S/C20H21F2N5O4/c21-12-3-4-16(22)14(8-12)17-2-1-6-26(17)18-5-7-27-19(24-18)15(9-23-27)20(30)25-31-11-13(29)10-28/h3-5,7-9,13,17,28-29H,1-2,6,10-11H2,(H,25,30)/t13-,17+/m0/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))
BDBM127715
PNG
(US10251889, Example 88 | US10758542, Example 88 | ...)
Show SMILES OC[C@H](O)CONC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1F |r|
Show InChI InChI=1S/C20H21F2N5O4/c21-12-3-4-16(22)14(8-12)17-2-1-6-26(17)18-5-7-27-19(24-18)15(9-23-27)20(30)25-31-11-13(29)10-28/h3-5,7-9,13,17,28-29H,1-2,6,10-11H2,(H,25,30)/t13-,17+/m0/s1
PDB

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PC sid
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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