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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 = 'BDBM344498'   
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))
BDBM344498
PNG
(US10251889, Example 213 | US10758542, Example 213 ...)
Show SMILES C[C@H](NC(=O)c1cnn2ccc(nc12)N1[C@H](CO)CC[C@@H]1c1cncc(F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H20F4N6O2/c1-11(20(22,23)24)27-19(32)15-9-26-29-5-4-17(28-18(15)29)30-14(10-31)2-3-16(30)12-6-13(21)8-25-7-12/h4-9,11,14,16,31H,2-3,10H2,1H3,(H,27,32)/t11-,14-,16+/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 6.80n/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))
BDBM344498
PNG
(US10251889, Example 213 | US10758542, Example 213 ...)
Show SMILES C[C@H](NC(=O)c1cnn2ccc(nc12)N1[C@H](CO)CC[C@@H]1c1cncc(F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H20F4N6O2/c1-11(20(22,23)24)27-19(32)15-9-26-29-5-4-17(28-18(15)29)30-14(10-31)2-3-16(30)12-6-13(21)8-25-7-12/h4-9,11,14,16,31H,2-3,10H2,1H3,(H,27,32)/t11-,14-,16+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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