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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50441549   
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))
BDBM50441549
PNG
(CHEMBL2436965)
Show SMILES O=c1[nH]ccc2c(N[C@@H]3CCC[C@@H]3C#N)ncnc12 |r|
Show InChI InChI=1S/C13H13N5O/c14-6-8-2-1-3-10(8)18-12-9-4-5-15-13(19)11(9)16-7-17-12/h4-5,7-8,10H,1-3H2,(H,15,19)(H,16,17,18)/t8-,10-/m1/s1
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9n/an/an/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5923-30 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.082
BindingDB Entry DOI: 10.7270/Q2ST7R9T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50441549
PNG
(CHEMBL2436965)
Show SMILES O=c1[nH]ccc2c(N[C@@H]3CCC[C@@H]3C#N)ncnc12 |r|
Show InChI InChI=1S/C13H13N5O/c14-6-8-2-1-3-10(8)18-12-9-4-5-15-13(19)11(9)16-7-17-12/h4-5,7-8,10H,1-3H2,(H,15,19)(H,16,17,18)/t8-,10-/m1/s1
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13n/an/an/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Bioorg Med Chem Lett 23: 5923-30 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.082
BindingDB Entry DOI: 10.7270/Q2ST7R9T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50441549
PNG
(CHEMBL2436965)
Show SMILES O=c1[nH]ccc2c(N[C@@H]3CCC[C@@H]3C#N)ncnc12 |r|
Show InChI InChI=1S/C13H13N5O/c14-6-8-2-1-3-10(8)18-12-9-4-5-15-13(19)11(9)16-7-17-12/h4-5,7-8,10H,1-3H2,(H,15,19)(H,16,17,18)/t8-,10-/m1/s1
PDB

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40n/an/an/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5923-30 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.082
BindingDB Entry DOI: 10.7270/Q2ST7R9T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50441549
PNG
(CHEMBL2436965)
Show SMILES O=c1[nH]ccc2c(N[C@@H]3CCC[C@@H]3C#N)ncnc12 |r|
Show InChI InChI=1S/C13H13N5O/c14-6-8-2-1-3-10(8)18-12-9-4-5-15-13(19)11(9)16-7-17-12/h4-5,7-8,10H,1-3H2,(H,15,19)(H,16,17,18)/t8-,10-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem

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Article
PubMed
68n/an/an/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Bioorg Med Chem Lett 23: 5923-30 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.082
BindingDB Entry DOI: 10.7270/Q2ST7R9T
More data for this
Ligand-Target Pair