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Patent code US9108950

Compile Data Set for Download or QSAR
Found 12 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))
BDBM161376
PNG
(US10238658, Example 1 | US10813932, Example 1 | US...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O2/c1-23-14-16-25(17-15-23)42-31(22-30(41-42)35(2,3)4)39-34(43)38-28-18-19-29(27-13-9-8-12-26(27)28)44-32-20-21-36-33(40-32)37-24-10-6-5-7-11-24/h5-22H,1-4H3,(H,36,37,40)(H2,38,39,43)
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n/an/a 22n/an/an/an/an/an/a



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Assay Description
The kinase enzyme binding activities of compounds disclosed herein were determined using a proprietary assay which measures active site-directed comp...


US Patent US9108950 (2015)


BindingDB Entry DOI: 10.7270/Q2697293
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM161376
PNG
(US10238658, Example 1 | US10813932, Example 1 | US...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O2/c1-23-14-16-25(17-15-23)42-31(22-30(41-42)35(2,3)4)39-34(43)38-28-18-19-29(27-13-9-8-12-26(27)28)44-32-20-21-36-33(40-32)37-24-10-6-5-7-11-24/h5-22H,1-4H3,(H,36,37,40)(H2,38,39,43)
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US Patent


Assay Description
The kinase enzyme binding activities of compounds disclosed herein were determined using a proprietary assay which measures active site-directed comp...


US Patent US9108950 (2015)


BindingDB Entry DOI: 10.7270/Q2697293
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM161376
PNG
(US10238658, Example 1 | US10813932, Example 1 | US...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O2/c1-23-14-16-25(17-15-23)42-31(22-30(41-42)35(2,3)4)39-34(43)38-28-18-19-29(27-13-9-8-12-26(27)28)44-32-20-21-36-33(40-32)37-24-10-6-5-7-11-24/h5-22H,1-4H3,(H,36,37,40)(H2,38,39,43)
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n/an/a 334n/an/an/an/an/an/a



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US Patent


Assay Description
The kinase enzyme binding activities of compounds disclosed herein were determined using a proprietary assay which measures active site-directed comp...


US Patent US9108950 (2015)


BindingDB Entry DOI: 10.7270/Q2697293
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM161376
PNG
(US10238658, Example 1 | US10813932, Example 1 | US...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O2/c1-23-14-16-25(17-15-23)42-31(22-30(41-42)35(2,3)4)39-34(43)38-28-18-19-29(27-13-9-8-12-26(27)28)44-32-20-21-36-33(40-32)37-24-10-6-5-7-11-24/h5-22H,1-4H3,(H,36,37,40)(H2,38,39,43)
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n/an/a 3.74E+3n/an/an/an/an/an/a



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US Patent


Assay Description
The kinase enzyme binding activities of compounds disclosed herein were determined using a proprietary assay which measures active site-directed comp...


US Patent US9108950 (2015)


BindingDB Entry DOI: 10.7270/Q2697293
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM161376
PNG
(US10238658, Example 1 | US10813932, Example 1 | US...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O2/c1-23-14-16-25(17-15-23)42-31(22-30(41-42)35(2,3)4)39-34(43)38-28-18-19-29(27-13-9-8-12-26(27)28)44-32-20-21-36-33(40-32)37-24-10-6-5-7-11-24/h5-22H,1-4H3,(H,36,37,40)(H2,38,39,43)
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n/an/a>1.70E+4n/an/an/an/an/an/a



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US Patent


Assay Description
The kinase enzyme binding activities of compounds disclosed herein were determined using a proprietary assay which measures active site-directed comp...


US Patent US9108950 (2015)


BindingDB Entry DOI: 10.7270/Q2697293
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM161376
PNG
(US10238658, Example 1 | US10813932, Example 1 | US...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O2/c1-23-14-16-25(17-15-23)42-31(22-30(41-42)35(2,3)4)39-34(43)38-28-18-19-29(27-13-9-8-12-26(27)28)44-32-20-21-36-33(40-32)37-24-10-6-5-7-11-24/h5-22H,1-4H3,(H,36,37,40)(H2,38,39,43)
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n/an/an/a 10n/an/an/an/an/a



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US Patent


Assay Description
The kinase enzyme binding activities of compounds disclosed herein were determined using a proprietary assay which measures active site-directed comp...


US Patent US9108950 (2015)


BindingDB Entry DOI: 10.7270/Q2697293
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM161376
PNG
(US10238658, Example 1 | US10813932, Example 1 | US...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O2/c1-23-14-16-25(17-15-23)42-31(22-30(41-42)35(2,3)4)39-34(43)38-28-18-19-29(27-13-9-8-12-26(27)28)44-32-20-21-36-33(40-32)37-24-10-6-5-7-11-24/h5-22H,1-4H3,(H,36,37,40)(H2,38,39,43)
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n/an/an/a 2.00E+4n/an/an/an/an/a



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US Patent


Assay Description
The kinase enzyme binding activities of compounds disclosed herein were determined using a proprietary assay which measures active site-directed comp...


US Patent US9108950 (2015)


BindingDB Entry DOI: 10.7270/Q2697293
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM161376
PNG
(US10238658, Example 1 | US10813932, Example 1 | US...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O2/c1-23-14-16-25(17-15-23)42-31(22-30(41-42)35(2,3)4)39-34(43)38-28-18-19-29(27-13-9-8-12-26(27)28)44-32-20-21-36-33(40-32)37-24-10-6-5-7-11-24/h5-22H,1-4H3,(H,36,37,40)(H2,38,39,43)
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US Patent


Assay Description
The kinase enzyme binding activities of compounds disclosed herein were determined using a proprietary assay which measures active site-directed comp...


US Patent US9108950 (2015)


BindingDB Entry DOI: 10.7270/Q2697293
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM161376
PNG
(US10238658, Example 1 | US10813932, Example 1 | US...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O2/c1-23-14-16-25(17-15-23)42-31(22-30(41-42)35(2,3)4)39-34(43)38-28-18-19-29(27-13-9-8-12-26(27)28)44-32-20-21-36-33(40-32)37-24-10-6-5-7-11-24/h5-22H,1-4H3,(H,36,37,40)(H2,38,39,43)
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US Patent


Assay Description
The kinase enzyme binding activities of compounds disclosed herein were determined using a proprietary assay which measures active site-directed comp...


US Patent US9108950 (2015)


BindingDB Entry DOI: 10.7270/Q2697293
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM161376
PNG
(US10238658, Example 1 | US10813932, Example 1 | US...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O2/c1-23-14-16-25(17-15-23)42-31(22-30(41-42)35(2,3)4)39-34(43)38-28-18-19-29(27-13-9-8-12-26(27)28)44-32-20-21-36-33(40-32)37-24-10-6-5-7-11-24/h5-22H,1-4H3,(H,36,37,40)(H2,38,39,43)
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US Patent


Assay Description
The kinase enzyme binding activities of compounds disclosed herein were determined using a proprietary assay which measures active site-directed comp...


US Patent US9108950 (2015)


BindingDB Entry DOI: 10.7270/Q2697293
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM161376
PNG
(US10238658, Example 1 | US10813932, Example 1 | US...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O2/c1-23-14-16-25(17-15-23)42-31(22-30(41-42)35(2,3)4)39-34(43)38-28-18-19-29(27-13-9-8-12-26(27)28)44-32-20-21-36-33(40-32)37-24-10-6-5-7-11-24/h5-22H,1-4H3,(H,36,37,40)(H2,38,39,43)
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Assay Description
The kinase enzyme binding activities of compounds disclosed herein were determined using a proprietary assay which measures active site-directed comp...


US Patent US9108950 (2015)


BindingDB Entry DOI: 10.7270/Q2697293
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM161376
PNG
(US10238658, Example 1 | US10813932, Example 1 | US...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O2/c1-23-14-16-25(17-15-23)42-31(22-30(41-42)35(2,3)4)39-34(43)38-28-18-19-29(27-13-9-8-12-26(27)28)44-32-20-21-36-33(40-32)37-24-10-6-5-7-11-24/h5-22H,1-4H3,(H,36,37,40)(H2,38,39,43)
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n/an/an/a 1.20E+3n/an/an/an/an/a



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US Patent


Assay Description
The kinase enzyme binding activities of compounds disclosed herein were determined using a proprietary assay which measures active site-directed comp...


US Patent US9108950 (2015)


BindingDB Entry DOI: 10.7270/Q2697293
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%