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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 50331809   
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))
BDBM50331809
PNG
((R)-6-(1,1,1-trifluoro-3-methylbutan-2-ylamino)pyr...)
Show SMILES CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cnccc12)C(F)(F)F |r|
Show InChI InChI=1S/C16H15F3N4O/c1-8(2)13(16(17,18)19)23-14-9-3-5-20-7-10(9)12-11(22-14)4-6-21-15(12)24/h3-8,13H,1-2H3,(H,21,24)(H,22,23)/t13-/m1/s1
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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 24: 1466-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50331809
PNG
((R)-6-(1,1,1-trifluoro-3-methylbutan-2-ylamino)pyr...)
Show SMILES CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cnccc12)C(F)(F)F |r|
Show InChI InChI=1S/C16H15F3N4O/c1-8(2)13(16(17,18)19)23-14-9-3-5-20-7-10(9)12-11(22-14)4-6-21-15(12)24/h3-8,13H,1-2H3,(H,21,24)(H,22,23)/t13-/m1/s1
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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in cell-free system


Bioorg Med Chem Lett 20: 7421-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.031
BindingDB Entry DOI: 10.7270/Q2SQ90MG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50331809
PNG
((R)-6-(1,1,1-trifluoro-3-methylbutan-2-ylamino)pyr...)
Show SMILES CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cnccc12)C(F)(F)F |r|
Show InChI InChI=1S/C16H15F3N4O/c1-8(2)13(16(17,18)19)23-14-9-3-5-20-7-10(9)12-11(22-14)4-6-21-15(12)24/h3-8,13H,1-2H3,(H,21,24)(H,22,23)/t13-/m1/s1
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Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 expressed in human Du-145 cells


Bioorg Med Chem Lett 20: 7421-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.031
BindingDB Entry DOI: 10.7270/Q2SQ90MG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50331809
PNG
((R)-6-(1,1,1-trifluoro-3-methylbutan-2-ylamino)pyr...)
Show SMILES CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cnccc12)C(F)(F)F |r|
Show InChI InChI=1S/C16H15F3N4O/c1-8(2)13(16(17,18)19)23-14-9-3-5-20-7-10(9)12-11(22-14)4-6-21-15(12)24/h3-8,13H,1-2H3,(H,21,24)(H,22,23)/t13-/m1/s1
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Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of Jak2 (unknown origin) assessed as inhibition of STAT5 phosphorylation by cell-based assay


Bioorg Med Chem Lett 24: 1466-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50331809
PNG
((R)-6-(1,1,1-trifluoro-3-methylbutan-2-ylamino)pyr...)
Show SMILES CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cnccc12)C(F)(F)F |r|
Show InChI InChI=1S/C16H15F3N4O/c1-8(2)13(16(17,18)19)23-14-9-3-5-20-7-10(9)12-11(22-14)4-6-21-15(12)24/h3-8,13H,1-2H3,(H,21,24)(H,22,23)/t13-/m1/s1
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Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Binding affinity to human ERG expressed in HEK cells by radioligand displacement assay


Bioorg Med Chem Lett 20: 7421-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.031
BindingDB Entry DOI: 10.7270/Q2SQ90MG
More data for this
Ligand-Target Pair