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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2' and Ligand = 'BDBM344346'   
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))
BDBM344346
PNG
(US10251889, Example 55 | US10758542, Example 55 | ...)
Show SMILES OC[C@@H](O)CNC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1CO |r|
Show InChI InChI=1S/C21H24FN5O4/c22-14-4-3-13(11-28)16(8-14)18-2-1-6-26(18)19-5-7-27-20(25-19)17(10-24-27)21(31)23-9-15(30)12-29/h3-5,7-8,10,15,18,28-30H,1-2,6,9,11-12H2,(H,23,31)/t15-,18+/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 1n/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))
BDBM344346
PNG
(US10251889, Example 55 | US10758542, Example 55 | ...)
Show SMILES OC[C@@H](O)CNC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cc(F)ccc1CO |r|
Show InChI InChI=1S/C21H24FN5O4/c22-14-4-3-13(11-28)16(8-14)18-2-1-6-26(18)19-5-7-27-20(25-19)17(10-24-27)21(31)23-9-15(30)12-29/h3-5,7-8,10,15,18,28-30H,1-2,6,9,11-12H2,(H,23,31)/t15-,18+/m0/s1
PDB

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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
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