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PubMed code 22204902

Compile data set for download or QSAR
Found 9 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
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50362523
PNG
(CHEMBL1940993)
Show SMILES CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)n2[se]c3ccccc3c2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
Show InChI InChI=1S/C33H39NO18Se/c1-14(35)43-12-22-26(27(46-17(4)38)29(48-19(6)40)32(50-22)34-31(42)21-10-8-9-11-24(21)53-34)52-33-30(49-20(7)41)28(47-18(5)39)25(45-16(3)37)23(51-33)13-44-15(2)36/h8-11,22-23,25-30,32-33H,12-13H2,1-7H3/t22-,23-,25+,26-,27+,28+,29-,30-,32-,33+/m1/s1
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n/an/a 220n/an/an/an/an/an/a



Institute of the Sir Mortimer Jewish General Hospital

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha


Eur J Med Chem 48: 143-52 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.006
BindingDB Entry DOI: 10.7270/Q25B02Z0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50362523
PNG
(CHEMBL1940993)
Show SMILES CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)n2[se]c3ccccc3c2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
Show InChI InChI=1S/C33H39NO18Se/c1-14(35)43-12-22-26(27(46-17(4)38)29(48-19(6)40)32(50-22)34-31(42)21-10-8-9-11-24(21)53-34)52-33-30(49-20(7)41)28(47-18(5)39)25(45-16(3)37)23(51-33)13-44-15(2)36/h8-11,22-23,25-30,32-33H,12-13H2,1-7H3/t22-,23-,25+,26-,27+,28+,29-,30-,32-,33+/m1/s1
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n/an/a 420n/an/an/an/an/an/a



Institute of the Sir Mortimer Jewish General Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length FAK using ATP and Poly Glu:Tyr as substrate after 4 hrs by luminescence analysis


Eur J Med Chem 48: 143-52 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.006
BindingDB Entry DOI: 10.7270/Q25B02Z0
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50362525
PNG
(CHEMBL1940999)
Show SMILES OC[C@H]1O[C@@H](NC(=O)CCCn2[se]c3ccccc3c2=O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C17H22N2O7Se/c20-8-10-13(22)14(23)15(24)16(26-10)18-12(21)6-3-7-19-17(25)9-4-1-2-5-11(9)27-19/h1-2,4-5,10,13-16,20,22-24H,3,6-8H2,(H,18,21)/t10-,13-,14+,15-,16-/m1/s1
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n/an/a 730n/an/an/an/an/an/a



Institute of the Sir Mortimer Jewish General Hospital

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha


Eur J Med Chem 48: 143-52 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.006
BindingDB Entry DOI: 10.7270/Q25B02Z0
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50362524
PNG
(CHEMBL1940997)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=O)CCCn2[se]c3ccccc3c2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C25H30N2O11Se/c1-13(28)34-12-18-21(35-14(2)29)22(36-15(3)30)23(37-16(4)31)24(38-18)26-20(32)10-7-11-27-25(33)17-8-5-6-9-19(17)39-27/h5-6,8-9,18,21-24H,7,10-12H2,1-4H3,(H,26,32)/t18-,21-,22+,23-,24-/m1/s1
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n/an/a 740n/an/an/an/an/an/a



Institute of the Sir Mortimer Jewish General Hospital

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha


Eur J Med Chem 48: 143-52 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.006
BindingDB Entry DOI: 10.7270/Q25B02Z0
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50362524
PNG
(CHEMBL1940997)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=O)CCCn2[se]c3ccccc3c2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C25H30N2O11Se/c1-13(28)34-12-18-21(35-14(2)29)22(36-15(3)30)23(37-16(4)31)24(38-18)26-20(32)10-7-11-27-25(33)17-8-5-6-9-19(17)39-27/h5-6,8-9,18,21-24H,7,10-12H2,1-4H3,(H,26,32)/t18-,21-,22+,23-,24-/m1/s1
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n/an/a 800n/an/an/an/an/an/a



Institute of the Sir Mortimer Jewish General Hospital

Curated by ChEMBL


Assay Description
Inhibition of AKT-1


Eur J Med Chem 48: 143-52 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.006
BindingDB Entry DOI: 10.7270/Q25B02Z0
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50362523
PNG
(CHEMBL1940993)
Show SMILES CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)n2[se]c3ccccc3c2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
Show InChI InChI=1S/C33H39NO18Se/c1-14(35)43-12-22-26(27(46-17(4)38)29(48-19(6)40)32(50-22)34-31(42)21-10-8-9-11-24(21)53-34)52-33-30(49-20(7)41)28(47-18(5)39)25(45-16(3)37)23(51-33)13-44-15(2)36/h8-11,22-23,25-30,32-33H,12-13H2,1-7H3/t22-,23-,25+,26-,27+,28+,29-,30-,32-,33+/m1/s1
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n/an/a 830n/an/an/an/an/an/a



Institute of the Sir Mortimer Jewish General Hospital

Curated by ChEMBL


Assay Description
Inhibition of AKT-1


Eur J Med Chem 48: 143-52 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.006
BindingDB Entry DOI: 10.7270/Q25B02Z0
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM50362525
PNG
(CHEMBL1940999)
Show SMILES OC[C@H]1O[C@@H](NC(=O)CCCn2[se]c3ccccc3c2=O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C17H22N2O7Se/c20-8-10-13(22)14(23)15(24)16(26-10)18-12(21)6-3-7-19-17(25)9-4-1-2-5-11(9)27-19/h1-2,4-5,10,13-16,20,22-24H,3,6-8H2,(H,18,21)/t10-,13-,14+,15-,16-/m1/s1
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n/an/a 880n/an/an/an/an/an/a



Institute of the Sir Mortimer Jewish General Hospital

Curated by ChEMBL


Assay Description
Inhibition of AKT-1


Eur J Med Chem 48: 143-52 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.006
BindingDB Entry DOI: 10.7270/Q25B02Z0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50362524
PNG
(CHEMBL1940997)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NC(=O)CCCn2[se]c3ccccc3c2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C25H30N2O11Se/c1-13(28)34-12-18-21(35-14(2)29)22(36-15(3)30)23(37-16(4)31)24(38-18)26-20(32)10-7-11-27-25(33)17-8-5-6-9-19(17)39-27/h5-6,8-9,18,21-24H,7,10-12H2,1-4H3,(H,26,32)/t18-,21-,22+,23-,24-/m1/s1
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n/an/a 920n/an/an/an/an/an/a



Institute of the Sir Mortimer Jewish General Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length FAK using ATP and Poly Glu:Tyr as substrate after 4 hrs by luminescence analysis


Eur J Med Chem 48: 143-52 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.006
BindingDB Entry DOI: 10.7270/Q25B02Z0
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50362525
PNG
(CHEMBL1940999)
Show SMILES OC[C@H]1O[C@@H](NC(=O)CCCn2[se]c3ccccc3c2=O)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C17H22N2O7Se/c20-8-10-13(22)14(23)15(24)16(26-10)18-12(21)6-3-7-19-17(25)9-4-1-2-5-11(9)27-19/h1-2,4-5,10,13-16,20,22-24H,3,6-8H2,(H,18,21)/t10-,13-,14+,15-,16-/m1/s1
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n/an/a 960n/an/an/an/an/an/a



Institute of the Sir Mortimer Jewish General Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full-length FAK using ATP and Poly Glu:Tyr as substrate after 4 hrs by luminescence analysis


Eur J Med Chem 48: 143-52 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.006
BindingDB Entry DOI: 10.7270/Q25B02Z0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%