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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2' and Ligand = 'BDBM99563'   
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))
BDBM99563
PNG
(CHEMBL2062809 | US8501936, 61)
Show SMILES CN1CCC(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C25H27N5O2S/c1-29-15-12-18(13-16-29)20-5-3-6-21(17-20)26-25-27-24-23(7-4-14-30(24)28-25)19-8-10-22(11-9-19)33(2,31)32/h3-11,14,17-18H,12-13,15-16H2,1-2H3,(H,26,28)
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US Patent
n/an/a 0.700n/an/an/an/an/an/a



Cephalon, Inc.

US Patent


Assay Description
The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) ...


US Patent US8501936 (2013)


BindingDB Entry DOI: 10.7270/Q22Z1455
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99563
PNG
(CHEMBL2062809 | US8501936, 61)
Show SMILES CN1CCC(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C25H27N5O2S/c1-29-15-12-18(13-16-29)20-5-3-6-21(17-20)26-25-27-24-23(7-4-14-30(24)28-25)19-8-10-22(11-9-19)33(2,31)32/h3-11,14,17-18H,12-13,15-16H2,1-2H3,(H,26,28)
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Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99563
PNG
(CHEMBL2062809 | US8501936, 61)
Show SMILES CN1CCC(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C25H27N5O2S/c1-29-15-12-18(13-16-29)20-5-3-6-21(17-20)26-25-27-24-23(7-4-14-30(24)28-25)19-8-10-22(11-9-19)33(2,31)32/h3-11,14,17-18H,12-13,15-16H2,1-2H3,(H,26,28)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF-1 cells using GM-CSF pretreated for 1 hr prior to GM-CSF addition measured after 5 hrs by FRET based GeneBLAzer assay


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair