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PubMed code 20451394

Compile data set for download or QSAR
Found 10 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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50320700
PNG
(1-[2-chloro-2-(4-fluorophenyl)ethyl]-N-(3-fluoroph...)
Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(Nc3cccc(F)c3)ncnc12
Show InChI InChI=1S/C19H14ClF2N5/c20-17(12-4-6-13(21)7-5-12)10-27-19-16(9-25-27)18(23-11-24-19)26-15-3-1-2-14(22)8-15/h1-9,11,17H,10H2,(H,23,24,26)
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100n/an/an/an/an/an/an/an/a



Institute of Molecular Genetics IGM-CNR

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged human recombinant SRC expressed in baculovirus system assessed as [gamma32P]ATP utilization after 10 mins by liquid sc...


Bioorg Med Chem 18: 3999-4008 (2010)


Article DOI: 10.1016/j.bmc.2010.04.024
BindingDB Entry DOI: 10.7270/Q2Q240F5
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50320700
PNG
(1-[2-chloro-2-(4-fluorophenyl)ethyl]-N-(3-fluoroph...)
Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(Nc3cccc(F)c3)ncnc12
Show InChI InChI=1S/C19H14ClF2N5/c20-17(12-4-6-13(21)7-5-12)10-27-19-16(9-25-27)18(23-11-24-19)26-15-3-1-2-14(22)8-15/h1-9,11,17H,10H2,(H,23,24,26)
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100n/an/an/an/an/an/an/an/a



Institute of Molecular Genetics IGM-CNR

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged human recombinant SRC expressed in baculovirus system assessed as [gamma32P]ATP utilization after 10 mins by liquid sc...


Bioorg Med Chem 18: 3999-4008 (2010)


Article DOI: 10.1016/j.bmc.2010.04.024
BindingDB Entry DOI: 10.7270/Q2Q240F5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50230100
PNG
(4-fluoro-N-(5-(4-fluorobenzylthio)-1,3,4-thiadiazo...)
Show SMILES Fc1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1
Show InChI InChI=1S/C16H11F2N3OS2/c17-12-5-1-10(2-6-12)9-23-16-21-20-15(24-16)19-14(22)11-3-7-13(18)8-4-11/h1-8H,9H2,(H,19,20,22)
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100n/an/an/an/an/an/an/an/a



Institute of Molecular Genetics IGM-CNR

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged human recombinant ABL expressed in baculovirus system assessed as [gamma32P]ATP utilization after 10 mins by liquid sc...


Bioorg Med Chem 18: 3999-4008 (2010)


Article DOI: 10.1016/j.bmc.2010.04.024
BindingDB Entry DOI: 10.7270/Q2Q240F5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50230100
PNG
(4-fluoro-N-(5-(4-fluorobenzylthio)-1,3,4-thiadiazo...)
Show SMILES Fc1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1
Show InChI InChI=1S/C16H11F2N3OS2/c17-12-5-1-10(2-6-12)9-23-16-21-20-15(24-16)19-14(22)11-3-7-13(18)8-4-11/h1-8H,9H2,(H,19,20,22)
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120n/an/an/an/an/an/an/an/a



Institute of Molecular Genetics IGM-CNR

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged human recombinant ABL expressed in baculovirus system assessed as [gamma32P]ATP utilization after 10 mins by liquid sc...


Bioorg Med Chem 18: 3999-4008 (2010)


Article DOI: 10.1016/j.bmc.2010.04.024
BindingDB Entry DOI: 10.7270/Q2Q240F5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50230100
PNG
(4-fluoro-N-(5-(4-fluorobenzylthio)-1,3,4-thiadiazo...)
Show SMILES Fc1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1
Show InChI InChI=1S/C16H11F2N3OS2/c17-12-5-1-10(2-6-12)9-23-16-21-20-15(24-16)19-14(22)11-3-7-13(18)8-4-11/h1-8H,9H2,(H,19,20,22)
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470n/an/an/an/an/an/an/an/a



Institute of Molecular Genetics IGM-CNR

Curated by ChEMBL


Assay Description
Mixed-type inhibition of histidine-tagged human recombinant ABL expressed in baculovirus system assessed as [gamma32P]ATP utilization after 10 mins b...


Bioorg Med Chem 18: 3999-4008 (2010)


Article DOI: 10.1016/j.bmc.2010.04.024
BindingDB Entry DOI: 10.7270/Q2Q240F5
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50230100
PNG
(4-fluoro-N-(5-(4-fluorobenzylthio)-1,3,4-thiadiazo...)
Show SMILES Fc1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1
Show InChI InChI=1S/C16H11F2N3OS2/c17-12-5-1-10(2-6-12)9-23-16-21-20-15(24-16)19-14(22)11-3-7-13(18)8-4-11/h1-8H,9H2,(H,19,20,22)
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PubMed
550n/an/an/an/an/an/an/an/a



Institute of Molecular Genetics IGM-CNR

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged human recombinant SRC expressed in baculovirus system assessed as [gamma32P]ATP utilization after 10 mins by liquid sc...


Bioorg Med Chem 18: 3999-4008 (2010)


Article DOI: 10.1016/j.bmc.2010.04.024
BindingDB Entry DOI: 10.7270/Q2Q240F5
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50230100
PNG
(4-fluoro-N-(5-(4-fluorobenzylthio)-1,3,4-thiadiazo...)
Show SMILES Fc1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1
Show InChI InChI=1S/C16H11F2N3OS2/c17-12-5-1-10(2-6-12)9-23-16-21-20-15(24-16)19-14(22)11-3-7-13(18)8-4-11/h1-8H,9H2,(H,19,20,22)
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Article
PubMed
550n/an/an/an/an/an/an/an/a



Institute of Molecular Genetics IGM-CNR

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged human recombinant SRC expressed in baculovirus system assessed as [gamma32P]ATP utilization after 10 mins by liquid sc...


Bioorg Med Chem 18: 3999-4008 (2010)


Article DOI: 10.1016/j.bmc.2010.04.024
BindingDB Entry DOI: 10.7270/Q2Q240F5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50320700
PNG
(1-[2-chloro-2-(4-fluorophenyl)ethyl]-N-(3-fluoroph...)
Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(Nc3cccc(F)c3)ncnc12
Show InChI InChI=1S/C19H14ClF2N5/c20-17(12-4-6-13(21)7-5-12)10-27-19-16(9-25-27)18(23-11-24-19)26-15-3-1-2-14(22)8-15/h1-9,11,17H,10H2,(H,23,24,26)
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700n/an/an/an/an/an/an/an/a



Institute of Molecular Genetics IGM-CNR

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged human recombinant ABL expressed in baculovirus system assessed as [gamma32P]ATP utilization after 10 mins by liquid sc...


Bioorg Med Chem 18: 3999-4008 (2010)


Article DOI: 10.1016/j.bmc.2010.04.024
BindingDB Entry DOI: 10.7270/Q2Q240F5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50320700
PNG
(1-[2-chloro-2-(4-fluorophenyl)ethyl]-N-(3-fluoroph...)
Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(Nc3cccc(F)c3)ncnc12
Show InChI InChI=1S/C19H14ClF2N5/c20-17(12-4-6-13(21)7-5-12)10-27-19-16(9-25-27)18(23-11-24-19)26-15-3-1-2-14(22)8-15/h1-9,11,17H,10H2,(H,23,24,26)
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750n/an/an/an/an/an/an/an/a



Institute of Molecular Genetics IGM-CNR

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged human recombinant ABL expressed in baculovirus system assessed as [gamma32P]ATP utilization after 10 mins by liquid sc...


Bioorg Med Chem 18: 3999-4008 (2010)


Article DOI: 10.1016/j.bmc.2010.04.024
BindingDB Entry DOI: 10.7270/Q2Q240F5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50320700
PNG
(1-[2-chloro-2-(4-fluorophenyl)ethyl]-N-(3-fluoroph...)
Show SMILES Fc1ccc(cc1)C(Cl)Cn1ncc2c(Nc3cccc(F)c3)ncnc12
Show InChI InChI=1S/C19H14ClF2N5/c20-17(12-4-6-13(21)7-5-12)10-27-19-16(9-25-27)18(23-11-24-19)26-15-3-1-2-14(22)8-15/h1-9,11,17H,10H2,(H,23,24,26)
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PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Institute of Molecular Genetics IGM-CNR

Curated by ChEMBL


Assay Description
Mixed-type inhibition of histidine-tagged human recombinant ABL expressed in baculovirus system assessed as [gamma32P]ATP utilization after 10 mins b...


Bioorg Med Chem 18: 3999-4008 (2010)


Article DOI: 10.1016/j.bmc.2010.04.024
BindingDB Entry DOI: 10.7270/Q2Q240F5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%