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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 = 'BDBM232630'   
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))
BDBM232630
PNG
(US9346815, 176 | US9604984, Example 176)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCO)CC1
Show InChI InChI=1S/C25H27ClF2N8O3/c26-15-3-4-19(39-25(27)28)17(13-15)21-18(14-36(32-21)16-5-10-34(11-6-16)8-2-12-37)31-24(38)20-22(29)33-35-9-1-7-30-23(20)35/h1,3-4,7,9,13-14,16,25,37H,2,5-6,8,10-12H2,(H2,29,33)(H,31,38)
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PC cid
PC sid
UniChem
US Patent
0.120n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US9604984 (2017)


BindingDB Entry DOI: 10.7270/Q26D5W25
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM232630
PNG
(US9346815, 176 | US9604984, Example 176)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(nc1-c1cc(Cl)ccc1OC(F)F)C1CCN(CCCO)CC1
Show InChI InChI=1S/C25H27ClF2N8O3/c26-15-3-4-19(39-25(27)28)17(13-15)21-18(14-36(32-21)16-5-10-34(11-6-16)8-2-12-37)31-24(38)20-22(29)33-35-9-1-7-30-23(20)35/h1,3-4,7,9,13-14,16,25,37H,2,5-6,8,10-12H2,(H2,29,33)(H,31,38)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.120 -56.1n/an/an/an/an/a7.222



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair