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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 = 'BDBM127842'   
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))
BDBM127842
PNG
(US10251889, Example 215 | US10758542, Example 215 ...)
Show SMILES CC(C)NC(=O)c1cnn2ccc(nc12)N1[C@H](CO)CC[C@@H]1c1cncc(F)c1 |r|
Show InChI InChI=1S/C20H23FN6O2/c1-12(2)24-20(29)16-10-23-26-6-5-18(25-19(16)26)27-15(11-28)3-4-17(27)13-7-14(21)9-22-8-13/h5-10,12,15,17,28H,3-4,11H2,1-2H3,(H,24,29)/t15-,17+/m0/s1
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US Patent
n/an/a 15.3n/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))
BDBM127842
PNG
(US10251889, Example 215 | US10758542, Example 215 ...)
Show SMILES CC(C)NC(=O)c1cnn2ccc(nc12)N1[C@H](CO)CC[C@@H]1c1cncc(F)c1 |r|
Show InChI InChI=1S/C20H23FN6O2/c1-12(2)24-20(29)16-10-23-26-6-5-18(25-19(16)26)27-15(11-28)3-4-17(27)13-7-14(21)9-22-8-13/h5-10,12,15,17,28H,3-4,11H2,1-2H3,(H,24,29)/t15-,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))
BDBM127842
PNG
(US10251889, Example 215 | US10758542, Example 215 ...)
Show SMILES CC(C)NC(=O)c1cnn2ccc(nc12)N1[C@H](CO)CC[C@@H]1c1cncc(F)c1 |r|
Show InChI InChI=1S/C20H23FN6O2/c1-12(2)24-20(29)16-10-23-26-6-5-18(25-19(16)26)27-15(11-28)3-4-17(27)13-7-14(21)9-22-8-13/h5-10,12,15,17,28H,3-4,11H2,1-2H3,(H,24,29)/t15-,17+/m0/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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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