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PubMed code 21733693

Compile data set for download or QSAR
Found 7 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
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50349213
PNG
(CHEMBL1808264)
Show SMILES CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCOCC2)n1)-c1ccc(F)c(NS(=O)(=O)c2c(F)cccc2F)c1
Show InChI InChI=1S/C31H28F3N7O3S2/c1-18(2)30-39-27(19-6-8-21(32)25(16-19)40-46(42,43)29-22(33)4-3-5-23(29)34)28(45-30)24-10-11-35-31(38-24)37-20-7-9-26(36-17-20)41-12-14-44-15-13-41/h3-11,16-18,40H,12-15H2,1-2H3,(H,35,37,38)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline Oncology CEDD

Curated by ChEMBL


Assay Description
Inhibition of Lyn


Bioorg Med Chem Lett 21: 4436-40 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.021
BindingDB Entry DOI: 10.7270/Q2Q240KZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50349213
PNG
(CHEMBL1808264)
Show SMILES CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCOCC2)n1)-c1ccc(F)c(NS(=O)(=O)c2c(F)cccc2F)c1
Show InChI InChI=1S/C31H28F3N7O3S2/c1-18(2)30-39-27(19-6-8-21(32)25(16-19)40-46(42,43)29-22(33)4-3-5-23(29)34)28(45-30)24-10-11-35-31(38-24)37-20-7-9-26(36-17-20)41-12-14-44-15-13-41/h3-11,16-18,40H,12-15H2,1-2H3,(H,35,37,38)
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GlaxoSmithKline Oncology CEDD

Curated by ChEMBL


Assay Description
Inhibition of Btk


Bioorg Med Chem Lett 21: 4436-40 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.021
BindingDB Entry DOI: 10.7270/Q2Q240KZ
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50349213
PNG
(CHEMBL1808264)
Show SMILES CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCOCC2)n1)-c1ccc(F)c(NS(=O)(=O)c2c(F)cccc2F)c1
Show InChI InChI=1S/C31H28F3N7O3S2/c1-18(2)30-39-27(19-6-8-21(32)25(16-19)40-46(42,43)29-22(33)4-3-5-23(29)34)28(45-30)24-10-11-35-31(38-24)37-20-7-9-26(36-17-20)41-12-14-44-15-13-41/h3-11,16-18,40H,12-15H2,1-2H3,(H,35,37,38)
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GlaxoSmithKline Oncology CEDD

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 21: 4436-40 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.021
BindingDB Entry DOI: 10.7270/Q2Q240KZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50349213
PNG
(CHEMBL1808264)
Show SMILES CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCOCC2)n1)-c1ccc(F)c(NS(=O)(=O)c2c(F)cccc2F)c1
Show InChI InChI=1S/C31H28F3N7O3S2/c1-18(2)30-39-27(19-6-8-21(32)25(16-19)40-46(42,43)29-22(33)4-3-5-23(29)34)28(45-30)24-10-11-35-31(38-24)37-20-7-9-26(36-17-20)41-12-14-44-15-13-41/h3-11,16-18,40H,12-15H2,1-2H3,(H,35,37,38)
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GlaxoSmithKline Oncology CEDD

Curated by ChEMBL


Assay Description
Inhibition of ALK5


Bioorg Med Chem Lett 21: 4436-40 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.021
BindingDB Entry DOI: 10.7270/Q2Q240KZ
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM50349213
PNG
(CHEMBL1808264)
Show SMILES CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCOCC2)n1)-c1ccc(F)c(NS(=O)(=O)c2c(F)cccc2F)c1
Show InChI InChI=1S/C31H28F3N7O3S2/c1-18(2)30-39-27(19-6-8-21(32)25(16-19)40-46(42,43)29-22(33)4-3-5-23(29)34)28(45-30)24-10-11-35-31(38-24)37-20-7-9-26(36-17-20)41-12-14-44-15-13-41/h3-11,16-18,40H,12-15H2,1-2H3,(H,35,37,38)
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GlaxoSmithKline Oncology CEDD

Curated by ChEMBL


Assay Description
Inhibition of Src1


Bioorg Med Chem Lett 21: 4436-40 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.021
BindingDB Entry DOI: 10.7270/Q2Q240KZ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (HER4)


(Homo sapiens (Human))
BDBM50349213
PNG
(CHEMBL1808264)
Show SMILES CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCOCC2)n1)-c1ccc(F)c(NS(=O)(=O)c2c(F)cccc2F)c1
Show InChI InChI=1S/C31H28F3N7O3S2/c1-18(2)30-39-27(19-6-8-21(32)25(16-19)40-46(42,43)29-22(33)4-3-5-23(29)34)28(45-30)24-10-11-35-31(38-24)37-20-7-9-26(36-17-20)41-12-14-44-15-13-41/h3-11,16-18,40H,12-15H2,1-2H3,(H,35,37,38)
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GlaxoSmithKline Oncology CEDD

Curated by ChEMBL


Assay Description
Inhibition of ErbB4


Bioorg Med Chem Lett 21: 4436-40 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.021
BindingDB Entry DOI: 10.7270/Q2Q240KZ
More data for this
Ligand-Target Pair
Activin receptor type-2B


(Homo sapiens)
BDBM50349213
PNG
(CHEMBL1808264)
Show SMILES CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCOCC2)n1)-c1ccc(F)c(NS(=O)(=O)c2c(F)cccc2F)c1
Show InChI InChI=1S/C31H28F3N7O3S2/c1-18(2)30-39-27(19-6-8-21(32)25(16-19)40-46(42,43)29-22(33)4-3-5-23(29)34)28(45-30)24-10-11-35-31(38-24)37-20-7-9-26(36-17-20)41-12-14-44-15-13-41/h3-11,16-18,40H,12-15H2,1-2H3,(H,35,37,38)
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GlaxoSmithKline Oncology CEDD

Curated by ChEMBL


Assay Description
Inhibition of ACTR-2B


Bioorg Med Chem Lett 21: 4436-40 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.021
BindingDB Entry DOI: 10.7270/Q2Q240KZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%