new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50040267   
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
CAMK2A


(Homo sapiens (Human))
BDBM50163748
PNG
((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)
Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O
Show InChI InChI=1S/C21H20N2O4/c1-26-20-11-14(5-9-18(20)24)3-7-16-13-17(23-22-16)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,24-25H,1-2H3,(H,22,23)/b7-3+,8-4+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 290n/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
CAMK2A


(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+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
CAMK2A


(Homo sapiens (Human))
BDBM50163748
PNG
((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)
Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O
Show InChI InChI=1S/C21H20N2O4/c1-26-20-11-14(5-9-18(20)24)3-7-16-13-17(23-22-16)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,24-25H,1-2H3,(H,22,23)/b7-3+,8-4+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.49E+3n/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
CAMK2A


(Homo sapiens (Human))
BDBM50163748
PNG
((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)
Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O
Show InChI InChI=1S/C21H20N2O4/c1-26-20-11-14(5-9-18(20)24)3-7-16-13-17(23-22-16)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,24-25H,1-2H3,(H,22,23)/b7-3+,8-4+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.30E+3n/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
CAMK2A


(Homo sapiens (Human))
BDBM50163748
PNG
((E)-3,5-Bis[beta-(4-Hydroxy-3-methoxyphenyl)-ethen...)
Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O
Show InChI InChI=1S/C21H20N2O4/c1-26-20-11-14(5-9-18(20)24)3-7-16-13-17(23-22-16)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,24-25H,1-2H3,(H,22,23)/b7-3+,8-4+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.50E+3n/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
CAMK2A


(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+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
CAMK2A


(Homo sapiens (Human))
BDBM50067040
PNG
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 1.30E+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
CAMK2A


(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+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
CAMK2A


(Homo sapiens (Human))
BDBM50163744
PNG
((1E,4Z,6E)-5-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O |w:6.6,13.13|
Show InChI InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.40E+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
CAMK2A


(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+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
CAMK2A


(Homo sapiens (Human))
BDBM50067040
PNG
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 3.30E+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
CAMK2A


(Homo sapiens (Human))
BDBM50067040
PNG
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 3.40E+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 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
CAMK2A


(Homo sapiens (Human))
BDBM50391730
PNG
(CHEMBL258741)
Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)-c2ccccc2)ccc1O
Show InChI InChI=1S/C27H24N2O4/c1-32-26-16-19(10-14-24(26)30)8-12-21-18-23(29(28-21)22-6-4-3-5-7-22)13-9-20-11-15-25(31)27(17-20)33-2/h3-18,30-31H,1-2H3/b12-8+,13-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.70E+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
CAMK2A


(Homo sapiens (Human))
BDBM50059989
PNG
((1E,4Z,6E)-5-Hydroxy-1,7-bis-(4-hydroxy-phenyl)-he...)
Show SMILES Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)cc1 |w:12.11,5.4|
Show InChI InChI=1S/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-12,20-21H,13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.70E+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
CAMK2A


(Homo sapiens (Human))
BDBM50067040
PNG
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 4.50E+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
CAMK2A


(Homo sapiens (Human))
BDBM50391730
PNG
(CHEMBL258741)
Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)-c2ccccc2)ccc1O
Show InChI InChI=1S/C27H24N2O4/c1-32-26-16-19(10-14-24(26)30)8-12-21-18-23(29(28-21)22-6-4-3-5-7-22)13-9-20-11-15-25(31)27(17-20)33-2/h3-18,30-31H,1-2H3/b12-8+,13-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.40E+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 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
CAMK2A


(Homo sapiens (Human))
BDBM50391730
PNG
(CHEMBL258741)
Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)-c2ccccc2)ccc1O
Show InChI InChI=1S/C27H24N2O4/c1-32-26-16-19(10-14-24(26)30)8-12-21-18-23(29(28-21)22-6-4-3-5-7-22)13-9-20-11-15-25(31)27(17-20)33-2/h3-18,30-31H,1-2H3/b12-8+,13-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90E+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
CAMK2A


(Homo sapiens (Human))
BDBM50391730
PNG
(CHEMBL258741)
Show SMILES COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)n(n2)-c2ccccc2)ccc1O
Show InChI InChI=1S/C27H24N2O4/c1-32-26-16-19(10-14-24(26)30)8-12-21-18-23(29(28-21)22-6-4-3-5-7-22)13-9-20-11-15-25(31)27(17-20)33-2/h3-18,30-31H,1-2H3/b12-8+,13-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.11E+5n/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