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2 similar compounds to monomer 50021658

Compile data set for download or QSAR
Wt: 376.4
BDBM50312975
Wt: 406.4
BDBM50312977

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50312975,50312977   
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))
BDBM50312975
PNG
(7-phenyl-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccccc4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C22H20N2O4/c1-25-18-12-15(13-19(26-2)21(18)27-3)23-22-24-17-11-7-10-16(20(17)28-22)14-8-5-4-6-9-14/h4-13H,1-3H3,(H,23,24)
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n/an/a 15n/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
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50312975
PNG
(7-phenyl-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccccc4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C22H20N2O4/c1-25-18-12-15(13-19(26-2)21(18)27-3)23-22-24-17-11-7-10-16(20(17)28-22)14-8-5-4-6-9-14/h4-13H,1-3H3,(H,23,24)
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n/an/a 710n/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
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50312975
PNG
(7-phenyl-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccccc4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C22H20N2O4/c1-25-18-12-15(13-19(26-2)21(18)27-3)23-22-24-17-11-7-10-16(20(17)28-22)14-8-5-4-6-9-14/h4-13H,1-3H3,(H,23,24)
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n/an/a>1.00E+4n/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
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50312975
PNG
(7-phenyl-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccccc4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C22H20N2O4/c1-25-18-12-15(13-19(26-2)21(18)27-3)23-22-24-17-11-7-10-16(20(17)28-22)14-8-5-4-6-9-14/h4-13H,1-3H3,(H,23,24)
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n/an/a 3.40E+3n/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 JAK2


(Homo sapiens (Human))
BDBM50312975
PNG
(7-phenyl-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccccc4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C22H20N2O4/c1-25-18-12-15(13-19(26-2)21(18)27-3)23-22-24-17-11-7-10-16(20(17)28-22)14-8-5-4-6-9-14/h4-13H,1-3H3,(H,23,24)
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n/an/a 15n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 after 60 mins by Caliper mobility shift assay


Bioorg Med Chem Lett 20: 1858-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.151
BindingDB Entry DOI: 10.7270/Q2PR7W4M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50312977
PNG
(7-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)benz...)
Show SMILES COc1ccc(cc1)-c1cccc2nc(Nc3cc(OC)c(OC)c(OC)c3)oc12
Show InChI InChI=1S/C23H22N2O5/c1-26-16-10-8-14(9-11-16)17-6-5-7-18-21(17)30-23(25-18)24-15-12-19(27-2)22(29-4)20(13-15)28-3/h5-13H,1-4H3,(H,24,25)
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n/an/a 8.90E+3n/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
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50312977
PNG
(7-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)benz...)
Show SMILES COc1ccc(cc1)-c1cccc2nc(Nc3cc(OC)c(OC)c(OC)c3)oc12
Show InChI InChI=1S/C23H22N2O5/c1-26-16-10-8-14(9-11-16)17-6-5-7-18-21(17)30-23(25-18)24-15-12-19(27-2)22(29-4)20(13-15)28-3/h5-13H,1-4H3,(H,24,25)
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n/an/a>1.00E+4n/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
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50312977
PNG
(7-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)benz...)
Show SMILES COc1ccc(cc1)-c1cccc2nc(Nc3cc(OC)c(OC)c(OC)c3)oc12
Show InChI InChI=1S/C23H22N2O5/c1-26-16-10-8-14(9-11-16)17-6-5-7-18-21(17)30-23(25-18)24-15-12-19(27-2)22(29-4)20(13-15)28-3/h5-13H,1-4H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

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Article
PubMed
n/an/a>1.00E+4n/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 JAK2


(Homo sapiens (Human))
BDBM50312977
PNG
(7-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)benz...)
Show SMILES COc1ccc(cc1)-c1cccc2nc(Nc3cc(OC)c(OC)c(OC)c3)oc12
Show InChI InChI=1S/C23H22N2O5/c1-26-16-10-8-14(9-11-16)17-6-5-7-18-21(17)30-23(25-18)24-15-12-19(27-2)22(29-4)20(13-15)28-3/h5-13H,1-4H3,(H,24,25)
PDB

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n/an/a 840n/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