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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'CAMK2A' and Ligand = 'BDBM50067040'   
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))
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
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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
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
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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
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
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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
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
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PC cid
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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
More data for this
Ligand-Target Pair