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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 = 'BDBM127824'   
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))
BDBM127824
PNG
(US10251889, Example 197 | US10758542, Example 197 ...)
Show SMILES Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)N[C@@H]3CCC[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C22H25FN6O2/c1-13-15(10-14(23)11-24-13)18-5-3-8-28(18)20-7-9-29-21(27-20)16(12-25-29)22(31)26-17-4-2-6-19(17)30/h7,9-12,17-19,30H,2-6,8H2,1H3,(H,26,31)/t17-,18?,19-/m1/s1
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PC cid
PC sid
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Similars

US Patent
n/an/a 4.80n/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))
BDBM127824
PNG
(US10251889, Example 197 | US10758542, Example 197 ...)
Show SMILES Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)N[C@@H]3CCC[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C22H25FN6O2/c1-13-15(10-14(23)11-24-13)18-5-3-8-28(18)20-7-9-29-21(27-20)16(12-25-29)22(31)26-17-4-2-6-19(17)30/h7,9-12,17-19,30H,2-6,8H2,1H3,(H,26,31)/t17-,18?,19-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

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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