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Compile Data Set for Download or QSAR

Found 10 hits of ic50 for monomerid = 50163745   
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
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50163745
PNG
(4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...)
Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O
Show InChI InChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+
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PubMed
n/an/a 138n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113209
BindingDB Entry DOI: 10.7270/Q2JW8JX9
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50163745
PNG
(4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...)
Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O
Show InChI InChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+
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n/an/a 138n/an/an/an/an/an/a



Advinus Therapeutics Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from fibrillar amyloid beta 42 (unknown origin) after 3 hrs


Bioorg Med Chem Lett 28: 2285-2288 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.032
BindingDB Entry DOI: 10.7270/Q28K7CM7
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50163745
PNG
(4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...)
Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O
Show InChI InChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+
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n/an/a 680n/an/an/an/an/an/a



Rajiv Gandhi Centre for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylated alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min in prese...


Bioorg Med Chem 20: 6040-7 (2012)


Article DOI: 10.1016/j.bmc.2012.08.029
BindingDB Entry DOI: 10.7270/Q28916ZM
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50163745
PNG
(4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...)
Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O
Show InChI InChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+
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n/an/a 6.80E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113209
BindingDB Entry DOI: 10.7270/Q2JW8JX9
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50163745
PNG
(4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...)
Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O
Show InChI InChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+
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n/an/a 7.40E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113209
BindingDB Entry DOI: 10.7270/Q2JW8JX9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50163745
PNG
(4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...)
Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O
Show InChI InChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+
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n/an/a 1.07E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Anti-oxidant activity in DPPH radicak scavenging assay; n=3-4


Bioorg Med Chem Lett 15: 1793-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.039
BindingDB Entry DOI: 10.7270/Q20V8DJD
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50163745
PNG
(4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...)
Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O
Show InChI InChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+
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n/an/a 1.14E+4n/an/an/an/an/an/a



Rajiv Gandhi Centre for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min


Bioorg Med Chem 20: 6040-7 (2012)


Article DOI: 10.1016/j.bmc.2012.08.029
BindingDB Entry DOI: 10.7270/Q28916ZM
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50163745
PNG
(4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...)
Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O
Show InChI InChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+
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n/an/a 1.80E+4n/an/an/an/an/an/a



Rajiv Gandhi Centre for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of alphaCaMK2 autophosphorylation at Thr286 using [gamma32P]ATP incubated for 30 secs prior to ATP addition measured after 30 secs


Bioorg Med Chem 20: 6040-7 (2012)


Article DOI: 10.1016/j.bmc.2012.08.029
BindingDB Entry DOI: 10.7270/Q28916ZM
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50163745
PNG
(4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...)
Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O
Show InChI InChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+
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n/an/a 2.44E+4n/an/an/an/an/an/a



Rajiv Gandhi Centre for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylated alphaCaMK2 using GST-NR2A as substrate incubated for 1 min prior to substrate addition measured after 1 min


Bioorg Med Chem 20: 6040-7 (2012)


Article DOI: 10.1016/j.bmc.2012.08.029
BindingDB Entry DOI: 10.7270/Q28916ZM
More data for this
Ligand-Target Pair
Microtubule-associated protein tau


(Homo sapiens (Human))
BDBM50163745
PNG
(4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-...)
Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O
Show InChI InChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+
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n/an/a>2.00E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113209
BindingDB Entry DOI: 10.7270/Q2JW8JX9
More data for this
Ligand-Target Pair