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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 = 'BDBM127761'   
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))
BDBM127761
PNG
(US8791123, 134 | US9782415, Example 134 | US979672...)
Show SMILES FC(F)CNC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1 |r|
Show InChI InChI=1S/C18H17F3N6O/c19-12-6-11(7-22-8-12)14-2-1-4-26(14)16-3-5-27-17(25-16)13(9-24-27)18(28)23-10-15(20)21/h3,5-9,14-15H,1-2,4,10H2,(H,23,28)/t14-/m1/s1
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PC cid
PC sid
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Similars

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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM127761
PNG
(US8791123, 134 | US9782415, Example 134 | US979672...)
Show SMILES FC(F)CNC(=O)c1cnn2ccc(nc12)N1CCC[C@@H]1c1cncc(F)c1 |r|
Show InChI InChI=1S/C18H17F3N6O/c19-12-6-11(7-22-8-12)14-2-1-4-26(14)16-3-5-27-17(25-16)13(9-24-27)18(28)23-10-15(20)21/h3,5-9,14-15H,1-2,4,10H2,(H,23,28)/t14-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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