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BDBM50312974 7-(pyridin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-2-amine::CHEMBL1081443

SMILES: COc1cc(Nc2nc3cccc(-c4ccccn4)c3o2)cc(OC)c1OC

InChI Key: InChIKey=DEDZRYZURNCPPC-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50312974   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50312974
PNG
(7-(pyridin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzo[d...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccccn4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C21H19N3O4/c1-25-17-11-13(12-18(26-2)20(17)27-3)23-21-24-16-9-6-7-14(19(16)28-21)15-8-4-5-10-22-15/h4-12H,1-3H3,(H,23,24)
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Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50312974
PNG
(7-(pyridin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzo[d...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccccn4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C21H19N3O4/c1-25-17-11-13(12-18(26-2)20(17)27-3)23-21-24-16-9-6-7-14(19(16)28-21)15-8-4-5-10-22-15/h4-12H,1-3H3,(H,23,24)
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Article
PubMed
n/an/a 640n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TYK2 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50312974
PNG
(7-(pyridin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzo[d...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccccn4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C21H19N3O4/c1-25-17-11-13(12-18(26-2)20(17)27-3)23-21-24-16-9-6-7-14(19(16)28-21)15-8-4-5-10-22-15/h4-12H,1-3H3,(H,23,24)
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Article
PubMed
n/an/a 450n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK3 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50312974
PNG
(7-(pyridin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzo[d...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccccn4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C21H19N3O4/c1-25-17-11-13(12-18(26-2)20(17)27-3)23-21-24-16-9-6-7-14(19(16)28-21)15-8-4-5-10-22-15/h4-12H,1-3H3,(H,23,24)
PDB

Reactome pathway
KEGG

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PC sid
UniChem

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Article
PubMed
n/an/a 760n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair