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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 = 'BDBM232720'   
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))
BDBM232720
PNG
(US9346815, 266 | US9604984, Example 266)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCC(CO)CC2)nc1-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C25H25ClF2N8O4/c26-15-2-3-18(40-25(27)28)16(10-15)21-17(31-24(39)20-22(29)33-36-7-1-6-30-23(20)36)11-35(32-21)12-19(38)34-8-4-14(13-37)5-9-34/h1-3,6-7,10-11,14,25,37H,4-5,8-9,12-13H2,(H2,29,33)(H,31,39)
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PC cid
PC sid
UniChem
US Patent
0.100n/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))
BDBM232720
PNG
(US9346815, 266 | US9604984, Example 266)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)N2CCC(CO)CC2)nc1-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C25H25ClF2N8O4/c26-15-2-3-18(40-25(27)28)16(10-15)21-17(31-24(39)20-22(29)33-36-7-1-6-30-23(20)36)11-35(32-21)12-19(38)34-8-4-14(13-37)5-9-34/h1-3,6-7,10-11,14,25,37H,4-5,8-9,12-13H2,(H2,29,33)(H,31,39)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.100 -56.5n/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