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PubMed code 22537682

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM50384998
PNG
(CVD-0019905 | XANTHOHUMOL)
Show SMILES [#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c1-[#6](=O)\[#6]=[#6]\c1ccc(-[#8])cc1
Show InChI InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
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Article
PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Inhibition of human PDK1 assessed as inhibition of [33P] incorporation into substrate after 60 mins by scintillation counting


Bioorg Med Chem 20: 3596-602 (2012)


Article DOI: 10.1016/j.bmc.2012.03.072
BindingDB Entry DOI: 10.7270/Q2F47Q5M
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50252521
PNG
(CHEMBL492828 | isoxanthohumol)
Show SMILES [#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8]-[#6](-[#6]-[#6](=O)-c12)-c1ccc(-[#8])cc1
Show InChI InChI=1S/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3
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Article
PubMed
n/an/a 3.16E+4n/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Inhibition of human PKC theta assessed as inhibition of [33P] incorporation into substrate after 60 mins by scintillation counting


Bioorg Med Chem 20: 3596-602 (2012)


Article DOI: 10.1016/j.bmc.2012.03.072
BindingDB Entry DOI: 10.7270/Q2F47Q5M
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50252521
PNG
(CHEMBL492828 | isoxanthohumol)
Show SMILES [#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8]-[#6](-[#6]-[#6](=O)-c12)-c1ccc(-[#8])cc1
Show InChI InChI=1S/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3
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Article
PubMed
n/an/a 4.53E+4n/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Inhibition of human PKC alpha assessed as inhibition of [33P] incorporation into substrate after 60 mins by scintillation counting


Bioorg Med Chem 20: 3596-602 (2012)


Article DOI: 10.1016/j.bmc.2012.03.072
BindingDB Entry DOI: 10.7270/Q2F47Q5M
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM50252521
PNG
(CHEMBL492828 | isoxanthohumol)
Show SMILES [#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8]-[#6](-[#6]-[#6](=O)-c12)-c1ccc(-[#8])cc1
Show InChI InChI=1S/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3
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Article
PubMed
n/an/a 5.87E+4n/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Inhibition of human PDK1 assessed as inhibition of [33P] incorporation into substrate after 60 mins by scintillation counting


Bioorg Med Chem 20: 3596-602 (2012)


Article DOI: 10.1016/j.bmc.2012.03.072
BindingDB Entry DOI: 10.7270/Q2F47Q5M
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50384998
PNG
(CVD-0019905 | XANTHOHUMOL)
Show SMILES [#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c1-[#6](=O)\[#6]=[#6]\c1ccc(-[#8])cc1
Show InChI InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Inhibition of human PKC theta assessed as inhibition of [33P] incorporation into substrate after 60 mins by scintillation counting


Bioorg Med Chem 20: 3596-602 (2012)


Article DOI: 10.1016/j.bmc.2012.03.072
BindingDB Entry DOI: 10.7270/Q2F47Q5M
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50384998
PNG
(CVD-0019905 | XANTHOHUMOL)
Show SMILES [#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c1-[#6](=O)\[#6]=[#6]\c1ccc(-[#8])cc1
Show InChI InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
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MCE
KEGG
PC cid
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UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Salerno

Curated by ChEMBL


Assay Description
Inhibition of human PKC alpha assessed as inhibition of [33P] incorporation into substrate after 60 mins by scintillation counting


Bioorg Med Chem 20: 3596-602 (2012)


Article DOI: 10.1016/j.bmc.2012.03.072
BindingDB Entry DOI: 10.7270/Q2F47Q5M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%