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Patent code US9724347

Compile Data Set for Download or QSAR
Found 120 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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM142598
PNG
(US8933228, Ref 2 | US9242960, 1 | US9249125, Refer...)
Show SMILES COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C33H34N6O4/c1-21-10-12-22(13-11-21)39-30(19-28(38-39)33(2,3)4)37-32(41)35-26-14-15-27(25-9-7-6-8-24(25)26)43-23-16-17-34-29(18-23)36-31(40)20-42-5/h6-19H,20H2,1-5H3,(H,34,36,40)(H2,35,37,41)
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n/an/a 12n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM161376
PNG
(US9108950, 1 | US9724347, Example 1)
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 60n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330260
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)cc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O3/c1-22-9-13-24(14-10-22)42-31(21-30(41-42)35(2,3)4)39-34(44)38-28-17-18-29(27-8-6-5-7-26(27)28)45-32-19-20-36-33(40-32)37-23-11-15-25(43)16-12-23/h5-21,43H,1-4H3,(H,36,37,40)(H2,38,39,44)
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Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330265
PNG
(1-(3-(tert-butyl)-1-(4-methoxyphenyl)-1H- pyrazol-...)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O3/c1-35(2,3)30-22-31(42(41-30)24-14-16-25(44-4)17-15-24)39-34(43)38-28-18-19-29(27-13-9-8-12-26(27)28)45-32-20-21-36-33(40-32)37-23-10-6-5-7-11-23/h5-22H,1-4H3,(H,36,37,40)(H2,38,39,43)
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n/an/a 3.51E+3n/an/an/an/an/an/a



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US Patent


Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330274
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(Cl)cc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32ClN7O2/c1-22-9-15-25(16-10-22)43-31(21-30(42-43)35(2,3)4)40-34(44)39-28-17-18-29(27-8-6-5-7-26(27)28)45-32-19-20-37-33(41-32)38-24-13-11-23(36)12-14-24/h5-21H,1-4H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330276
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(Cl)cc3C)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C36H34ClN7O2/c1-22-10-13-25(14-11-22)44-32(21-31(43-44)36(3,4)5)41-35(45)40-29-16-17-30(27-9-7-6-8-26(27)29)46-33-18-19-38-34(42-33)39-28-15-12-24(37)20-23(28)2/h6-21H,1-5H3,(H,38,39,42)(H2,40,41,45)
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US Patent


Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330279
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3C)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C36H35N7O2/c1-23-14-16-25(17-15-23)43-32(22-31(42-43)36(3,4)5)40-35(44)39-29-18-19-30(27-12-8-7-11-26(27)29)45-33-20-21-37-34(41-33)38-28-13-9-6-10-24(28)2/h6-22H,1-5H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330281
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(F)cc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32FN7O2/c1-22-9-15-25(16-10-22)43-31(21-30(42-43)35(2,3)4)40-34(44)39-28-17-18-29(27-8-6-5-7-26(27)28)45-32-19-20-37-33(41-32)38-24-13-11-23(36)12-14-24/h5-21H,1-4H3,(H,37,38,41)(H2,39,40,44)
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US Patent


Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330282
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)cc3C)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C36H35N7O3/c1-22-10-12-24(13-11-22)43-32(21-31(42-43)36(3,4)5)40-35(45)39-29-16-17-30(27-9-7-6-8-26(27)29)46-33-18-19-37-34(41-33)38-28-15-14-25(44)20-23(28)2/h6-21,44H,1-5H3,(H,37,38,41)(H2,39,40,45)
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US Patent


Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330284
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(C)c(O)c3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C36H35N7O3/c1-22-10-14-25(15-11-22)43-32(21-31(42-43)36(3,4)5)40-35(45)39-28-16-17-30(27-9-7-6-8-26(27)28)46-33-18-19-37-34(41-33)38-24-13-12-23(2)29(44)20-24/h6-21,44H,1-5H3,(H,37,38,41)(H2,39,40,45)
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US Patent


Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330285
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES COc1ccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc1OC
Show InChI InChI=1S/C37H37N7O4/c1-23-11-14-25(15-12-23)44-33(22-32(43-44)37(2,3)4)41-36(45)40-28-16-18-29(27-10-8-7-9-26(27)28)48-34-19-20-38-35(42-34)39-24-13-17-30(46-5)31(21-24)47-6/h7-22H,1-6H3,(H,38,39,42)(H2,40,41,45)
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US Patent


Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330287
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)c(F)c3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32FN7O3/c1-21-9-12-23(13-10-21)43-31(20-30(42-43)35(2,3)4)40-34(45)39-27-14-16-29(25-8-6-5-7-24(25)27)46-32-17-18-37-33(41-32)38-22-11-15-28(44)26(36)19-22/h5-20,44H,1-4H3,(H,37,38,41)(H2,39,40,45)
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US Patent


Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330290
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)cc3O)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O4/c1-21-9-11-22(12-10-21)42-31(20-30(41-42)35(2,3)4)39-34(45)38-26-15-16-29(25-8-6-5-7-24(25)26)46-32-17-18-36-33(40-32)37-27-14-13-23(43)19-28(27)44/h5-20,43-44H,1-4H3,(H,36,37,40)(H2,38,39,45)
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Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM142598
PNG
(US8933228, Ref 2 | US9242960, 1 | US9249125, Refer...)
Show SMILES COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C33H34N6O4/c1-21-10-12-22(13-11-21)39-30(19-28(38-39)33(2,3)4)37-32(41)35-26-14-15-27(25-9-7-6-8-24(25)26)43-23-16-17-34-29(18-23)36-31(40)20-42-5/h6-19H,20H2,1-5H3,(H,34,36,40)(H2,35,37,41)
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n/an/an/a 180n/an/an/an/an/a



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Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM142598
PNG
(US8933228, Ref 2 | US9242960, 1 | US9249125, Refer...)
Show SMILES COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C33H34N6O4/c1-21-10-12-22(13-11-21)39-30(19-28(38-39)33(2,3)4)37-32(41)35-26-14-15-27(25-9-7-6-8-24(25)26)43-23-16-17-34-29(18-23)36-31(40)20-42-5/h6-19H,20H2,1-5H3,(H,34,36,40)(H2,35,37,41)
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Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM161376
PNG
(US9108950, 1 | US9724347, Example 1)
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



Respivert, Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330264
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3Cl)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32ClN7O2/c1-22-13-15-23(16-14-22)43-31(21-30(42-43)35(2,3)4)40-34(44)39-27-17-18-29(25-10-6-5-9-24(25)27)45-32-19-20-37-33(41-32)38-28-12-8-7-11-26(28)36/h5-21H,1-4H3,(H,37,38,41)(H2,39,40,44)
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US Patent


Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330276
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(Cl)cc3C)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C36H34ClN7O2/c1-22-10-13-25(14-11-22)44-32(21-31(43-44)36(3,4)5)41-35(45)40-29-16-17-30(27-9-7-6-8-26(27)29)46-33-18-19-38-34(42-33)39-28-15-12-24(37)20-23(28)2/h6-21H,1-5H3,(H,38,39,42)(H2,40,41,45)
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n/an/a 133n/an/an/an/an/an/a



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Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330264
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3Cl)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32ClN7O2/c1-22-13-15-23(16-14-22)43-31(21-30(42-43)35(2,3)4)40-34(44)39-27-17-18-29(25-10-6-5-9-24(25)27)45-32-19-20-37-33(41-32)38-28-12-8-7-11-26(28)36/h5-21H,1-4H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330278
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES CC(C)c1ccccc1Nc1nccc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)n1
Show InChI InChI=1S/C38H39N7O2/c1-24(2)27-11-9-10-14-30(27)40-36-39-22-21-35(43-36)47-32-20-19-31(28-12-7-8-13-29(28)32)41-37(46)42-34-23-33(38(4,5)6)44-45(34)26-17-15-25(3)16-18-26/h7-24H,1-6H3,(H,39,40,43)(H2,41,42,46)
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Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330283
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)ccc1O
Show InChI InChI=1S/C36H35N7O4/c1-22-10-13-24(14-11-22)43-32(21-31(42-43)36(2,3)4)40-35(45)39-27-15-17-29(26-9-7-6-8-25(26)27)47-33-18-19-37-34(41-33)38-23-12-16-28(44)30(20-23)46-5/h6-21,44H,1-5H3,(H,37,38,41)(H2,39,40,45)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330288
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)cc3F)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32FN7O3/c1-21-9-11-22(12-10-21)43-31(20-30(42-43)35(2,3)4)40-34(45)39-27-15-16-29(25-8-6-5-7-24(25)27)46-32-17-18-37-33(41-32)38-28-14-13-23(44)19-26(28)36/h5-20,44H,1-4H3,(H,37,38,41)(H2,39,40,45)
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Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330289
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)cc3Cl)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32ClN7O3/c1-21-9-11-22(12-10-21)43-31(20-30(42-43)35(2,3)4)40-34(45)39-27-15-16-29(25-8-6-5-7-24(25)27)46-32-17-18-37-33(41-32)38-28-14-13-23(44)19-26(28)36/h5-20,44H,1-4H3,(H,37,38,41)(H2,39,40,45)
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Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330290
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)cc3O)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O4/c1-21-9-11-22(12-10-21)42-31(20-30(41-42)35(2,3)4)39-34(45)38-26-15-16-29(25-8-6-5-7-24(25)26)46-32-17-18-36-33(40-32)37-27-14-13-23(43)19-28(27)44/h5-20,43-44H,1-4H3,(H,36,37,40)(H2,38,39,45)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330291
PNG
(1-(3-(tert-butyl)-1-(4-methoxyphenyl)-1H- pyrazol-...)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)cc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O4/c1-35(2,3)30-21-31(42(41-30)23-11-15-25(45-4)16-12-23)39-34(44)38-28-17-18-29(27-8-6-5-7-26(27)28)46-32-19-20-36-33(40-32)37-22-9-13-24(43)14-10-22/h5-21,43H,1-4H3,(H,36,37,40)(H2,38,39,44)
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Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM161376
PNG
(US9108950, 1 | US9724347, Example 1)
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 inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM142598
PNG
(US8933228, Ref 2 | US9242960, 1 | US9249125, Refer...)
Show SMILES COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C33H34N6O4/c1-21-10-12-22(13-11-21)39-30(19-28(38-39)33(2,3)4)37-32(41)35-26-14-15-27(25-9-7-6-8-24(25)26)43-23-16-17-34-29(18-23)36-31(40)20-42-5/h6-19H,20H2,1-5H3,(H,34,36,40)(H2,35,37,41)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM142598
PNG
(US8933228, Ref 2 | US9242960, 1 | US9249125, Refer...)
Show SMILES COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C33H34N6O4/c1-21-10-12-22(13-11-21)39-30(19-28(38-39)33(2,3)4)37-32(41)35-26-14-15-27(25-9-7-6-8-24(25)26)43-23-16-17-34-29(18-23)36-31(40)20-42-5/h6-19H,20H2,1-5H3,(H,34,36,40)(H2,35,37,41)
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Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM142598
PNG
(US8933228, Ref 2 | US9242960, 1 | US9249125, Refer...)
Show SMILES COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C33H34N6O4/c1-21-10-12-22(13-11-21)39-30(19-28(38-39)33(2,3)4)37-32(41)35-26-14-15-27(25-9-7-6-8-24(25)26)43-23-16-17-34-29(18-23)36-31(40)20-42-5/h6-19H,20H2,1-5H3,(H,34,36,40)(H2,35,37,41)
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Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330260
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)cc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O3/c1-22-9-13-24(14-10-22)42-31(21-30(41-42)35(2,3)4)39-34(44)38-28-17-18-29(27-8-6-5-7-26(27)28)45-32-19-20-36-33(40-32)37-23-11-15-25(43)16-12-23/h5-21,43H,1-4H3,(H,36,37,40)(H2,38,39,44)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330262
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3F)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32FN7O2/c1-22-13-15-23(16-14-22)43-31(21-30(42-43)35(2,3)4)40-34(44)39-27-17-18-29(25-10-6-5-9-24(25)27)45-32-19-20-37-33(41-32)38-28-12-8-7-11-26(28)36/h5-21H,1-4H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330264
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3Cl)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32ClN7O2/c1-22-13-15-23(16-14-22)43-31(21-30(42-43)35(2,3)4)40-34(44)39-27-17-18-29(25-10-6-5-9-24(25)27)45-32-19-20-37-33(41-32)38-28-12-8-7-11-26(28)36/h5-21H,1-4H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330265
PNG
(1-(3-(tert-butyl)-1-(4-methoxyphenyl)-1H- pyrazol-...)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O3/c1-35(2,3)30-22-31(42(41-30)24-14-16-25(44-4)17-15-24)39-34(43)38-28-18-19-29(27-13-9-8-12-26(27)28)45-32-20-21-36-33(40-32)37-23-10-6-5-7-11-23/h5-22H,1-4H3,(H,36,37,40)(H2,38,39,43)
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Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330266
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES COc1ccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)c(C)c1
Show InChI InChI=1S/C37H37N7O3/c1-23-11-13-25(14-12-23)44-33(22-32(43-44)37(3,4)5)41-36(45)40-30-17-18-31(28-10-8-7-9-27(28)30)47-34-19-20-38-35(42-34)39-29-16-15-26(46-6)21-24(29)2/h7-22H,1-6H3,(H,38,39,42)(H2,40,41,45)
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Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330266
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES COc1ccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)c(C)c1
Show InChI InChI=1S/C37H37N7O3/c1-23-11-13-25(14-12-23)44-33(22-32(43-44)37(3,4)5)41-36(45)40-30-17-18-31(28-10-8-7-9-27(28)30)47-34-19-20-38-35(42-34)39-29-16-15-26(46-6)21-24(29)2/h7-22H,1-6H3,(H,38,39,42)(H2,40,41,45)
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Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330260
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)cc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O3/c1-22-9-13-24(14-10-22)42-31(21-30(41-42)35(2,3)4)39-34(44)38-28-17-18-29(27-8-6-5-7-26(27)28)45-32-19-20-36-33(40-32)37-23-11-15-25(43)16-12-23/h5-21,43H,1-4H3,(H,36,37,40)(H2,38,39,44)
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n/an/a 3.26E+3n/an/an/an/an/an/a



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US Patent


Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330271
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(Cl)c3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32ClN7O2/c1-22-12-14-25(15-13-22)43-31(21-30(42-43)35(2,3)4)40-34(44)39-28-16-17-29(27-11-6-5-10-26(27)28)45-32-18-19-37-33(41-32)38-24-9-7-8-23(36)20-24/h5-21H,1-4H3,(H,37,38,41)(H2,39,40,44)
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US Patent


Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330273
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(F)c3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32FN7O2/c1-22-12-14-25(15-13-22)43-31(21-30(42-43)35(2,3)4)40-34(44)39-28-16-17-29(27-11-6-5-10-26(27)28)45-32-18-19-37-33(41-32)38-24-9-7-8-23(36)20-24/h5-21H,1-4H3,(H,37,38,41)(H2,39,40,44)
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US Patent


Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330273
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(F)c3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32FN7O2/c1-22-12-14-25(15-13-22)43-31(21-30(42-43)35(2,3)4)40-34(44)39-28-16-17-29(27-11-6-5-10-26(27)28)45-32-18-19-37-33(41-32)38-24-9-7-8-23(36)20-24/h5-21H,1-4H3,(H,37,38,41)(H2,39,40,44)
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US Patent


Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330264
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3Cl)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32ClN7O2/c1-22-13-15-23(16-14-22)43-31(21-30(42-43)35(2,3)4)40-34(44)39-27-17-18-29(25-10-6-5-9-24(25)27)45-32-19-20-37-33(41-32)38-28-12-8-7-11-26(28)36/h5-21H,1-4H3,(H,37,38,41)(H2,39,40,44)
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US Patent


Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330280
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES CCOc1ccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc1
Show InChI InChI=1S/C37H37N7O3/c1-6-46-27-17-13-25(14-18-27)39-35-38-22-21-34(42-35)47-31-20-19-30(28-9-7-8-10-29(28)31)40-36(45)41-33-23-32(37(3,4)5)43-44(33)26-15-11-24(2)12-16-26/h7-23H,6H2,1-5H3,(H,38,39,42)(H2,40,41,45)
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US Patent


Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330282
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)cc3C)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C36H35N7O3/c1-22-10-12-24(13-11-22)43-32(21-31(42-43)36(3,4)5)40-35(45)39-29-16-17-30(27-9-7-6-8-26(27)29)46-33-18-19-37-34(41-33)38-28-15-14-25(44)20-23(28)2/h6-21,44H,1-5H3,(H,37,38,41)(H2,39,40,45)
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Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330283
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)ccc1O
Show InChI InChI=1S/C36H35N7O4/c1-22-10-13-24(14-11-22)43-32(21-31(42-43)36(2,3)4)40-35(45)39-27-15-17-29(26-9-7-6-8-25(26)27)47-33-18-19-37-34(41-33)38-23-12-16-28(44)30(20-23)46-5/h6-21,44H,1-5H3,(H,37,38,41)(H2,39,40,45)
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US Patent


Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330284
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(C)c(O)c3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C36H35N7O3/c1-22-10-14-25(15-11-22)43-32(21-31(42-43)36(3,4)5)40-35(45)39-28-16-17-30(27-9-7-6-8-26(27)28)46-33-18-19-37-34(41-33)38-24-13-12-23(2)29(44)20-24/h6-21,44H,1-5H3,(H,37,38,41)(H2,39,40,45)
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US Patent


Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330286
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES COc1ccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc1Cl
Show InChI InChI=1S/C36H34ClN7O3/c1-22-10-13-24(14-11-22)44-32(21-31(43-44)36(2,3)4)41-35(45)40-28-15-17-29(26-9-7-6-8-25(26)28)47-33-18-19-38-34(42-33)39-23-12-16-30(46-5)27(37)20-23/h6-21H,1-5H3,(H,38,39,42)(H2,40,41,45)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330286
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES COc1ccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc1Cl
Show InChI InChI=1S/C36H34ClN7O3/c1-22-10-13-24(14-11-22)44-32(21-31(43-44)36(2,3)4)41-35(45)40-28-15-17-29(26-9-7-6-8-25(26)28)47-33-18-19-38-34(42-33)39-23-12-16-30(46-5)27(37)20-23/h6-21H,1-5H3,(H,38,39,42)(H2,40,41,45)
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US Patent


Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330289
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)cc3Cl)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32ClN7O3/c1-21-9-11-22(12-10-21)43-31(20-30(42-43)35(2,3)4)40-34(45)39-27-15-16-29(25-8-6-5-7-24(25)27)46-32-17-18-37-33(41-32)38-28-14-13-23(44)19-26(28)36/h5-20,44H,1-4H3,(H,37,38,41)(H2,39,40,45)
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US Patent


Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM161376
PNG
(US9108950, 1 | US9724347, Example 1)
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 inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM161376
PNG
(US9108950, 1 | US9724347, Example 1)
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 inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM161376
PNG
(US9108950, 1 | US9724347, Example 1)
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 GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330261
PNG
(1-(3-(tert-butyl)-1-(4-hydroxyphenyl)-1H-pyrazol-5...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4)n3)c3ccccc23)n(n1)-c1ccc(O[*])cc1
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Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330261
PNG
(1-(3-(tert-butyl)-1-(4-hydroxyphenyl)-1H-pyrazol-5...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4)n3)c3ccccc23)n(n1)-c1ccc(O[*])cc1
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Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330265
PNG
(1-(3-(tert-butyl)-1-(4-methoxyphenyl)-1H- pyrazol-...)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O3/c1-35(2,3)30-22-31(42(41-30)24-14-16-25(44-4)17-15-24)39-34(43)38-28-18-19-29(27-13-9-8-12-26(27)28)45-32-20-21-36-33(40-32)37-23-10-6-5-7-11-23/h5-22H,1-4H3,(H,36,37,40)(H2,38,39,43)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330268
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(C)ccc3C)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C37H37N7O2/c1-23-12-15-26(16-13-23)44-33(22-32(43-44)37(4,5)6)41-36(45)40-29-17-18-31(28-10-8-7-9-27(28)29)46-34-19-20-38-35(42-34)39-30-21-24(2)11-14-25(30)3/h7-22H,1-6H3,(H,38,39,42)(H2,40,41,45)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330270
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-lH-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(C)c3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C36H35N7O2/c1-23-13-15-26(16-14-23)43-32(22-31(42-43)36(3,4)5)40-35(44)39-29-17-18-30(28-12-7-6-11-27(28)29)45-33-19-20-37-34(41-33)38-25-10-8-9-24(2)21-25/h6-22H,1-5H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330274
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(Cl)cc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32ClN7O2/c1-22-9-15-25(16-10-22)43-31(21-30(42-43)35(2,3)4)40-34(44)39-28-17-18-29(27-8-6-5-7-26(27)28)45-32-19-20-37-33(41-32)38-24-13-11-23(36)12-14-24/h5-21H,1-4H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330280
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES CCOc1ccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc1
Show InChI InChI=1S/C37H37N7O3/c1-6-46-27-17-13-25(14-18-27)39-35-38-22-21-34(42-35)47-31-20-19-30(28-9-7-8-10-29(28)31)40-36(45)41-33-23-32(37(3,4)5)43-44(33)26-15-11-24(2)12-16-26/h7-23H,6H2,1-5H3,(H,38,39,42)(H2,40,41,45)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330280
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES CCOc1ccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc1
Show InChI InChI=1S/C37H37N7O3/c1-6-46-27-17-13-25(14-18-27)39-35-38-22-21-34(42-35)47-31-20-19-30(28-9-7-8-10-29(28)31)40-36(45)41-33-23-32(37(3,4)5)43-44(33)26-15-11-24(2)12-16-26/h7-23H,6H2,1-5H3,(H,38,39,42)(H2,40,41,45)
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Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330287
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)c(F)c3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32FN7O3/c1-21-9-12-23(13-10-21)43-31(20-30(42-43)35(2,3)4)40-34(45)39-27-14-16-29(25-8-6-5-7-24(25)27)46-32-17-18-37-33(41-32)38-22-11-15-28(44)26(36)19-22/h5-20,44H,1-4H3,(H,37,38,41)(H2,39,40,45)
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Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330288
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)cc3F)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32FN7O3/c1-21-9-11-22(12-10-21)43-31(20-30(42-43)35(2,3)4)40-34(45)39-27-15-16-29(25-8-6-5-7-24(25)27)46-32-17-18-37-33(41-32)38-28-14-13-23(44)19-26(28)36/h5-20,44H,1-4H3,(H,37,38,41)(H2,39,40,45)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM161376
PNG
(US9108950, 1 | US9724347, Example 1)
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 inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM142598
PNG
(US8933228, Ref 2 | US9242960, 1 | US9249125, Refer...)
Show SMILES COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C33H34N6O4/c1-21-10-12-22(13-11-21)39-30(19-28(38-39)33(2,3)4)37-32(41)35-26-14-15-27(25-9-7-6-8-24(25)26)43-23-16-17-34-29(18-23)36-31(40)20-42-5/h6-19H,20H2,1-5H3,(H,34,36,40)(H2,35,37,41)
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n/an/a 42n/an/an/an/an/an/a



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Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM161376
PNG
(US9108950, 1 | US9724347, Example 1)
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 inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330260
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)cc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O3/c1-22-9-13-24(14-10-22)42-31(21-30(41-42)35(2,3)4)39-34(44)38-28-17-18-29(27-8-6-5-7-26(27)28)45-32-19-20-36-33(40-32)37-23-11-15-25(43)16-12-23/h5-21,43H,1-4H3,(H,36,37,40)(H2,38,39,44)
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Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330261
PNG
(1-(3-(tert-butyl)-1-(4-hydroxyphenyl)-1H-pyrazol-5...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4)n3)c3ccccc23)n(n1)-c1ccc(O[*])cc1
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330262
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3F)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32FN7O2/c1-22-13-15-23(16-14-22)43-31(21-30(42-43)35(2,3)4)40-34(44)39-27-17-18-29(25-10-6-5-9-24(25)27)45-32-19-20-37-33(41-32)38-28-12-8-7-11-26(28)36/h5-21H,1-4H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330262
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3F)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32FN7O2/c1-22-13-15-23(16-14-22)43-31(21-30(42-43)35(2,3)4)40-34(44)39-27-17-18-29(25-10-6-5-9-24(25)27)45-32-19-20-37-33(41-32)38-28-12-8-7-11-26(28)36/h5-21H,1-4H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330263
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES COc1ccccc1Nc1nccc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)n1
Show InChI InChI=1S/C36H35N7O3/c1-23-14-16-24(17-15-23)43-32(22-31(42-43)36(2,3)4)40-35(44)39-27-18-19-29(26-11-7-6-10-25(26)27)46-33-20-21-37-34(41-33)38-28-12-8-9-13-30(28)45-5/h6-22H,1-5H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330263
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES COc1ccccc1Nc1nccc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)n1
Show InChI InChI=1S/C36H35N7O3/c1-23-14-16-24(17-15-23)43-32(22-31(42-43)36(2,3)4)40-35(44)39-27-18-19-29(26-11-7-6-10-25(26)27)46-33-20-21-37-34(41-33)38-28-12-8-9-13-30(28)45-5/h6-22H,1-5H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330269
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc1
Show InChI InChI=1S/C36H35N7O2/c1-23-10-14-25(15-11-23)38-34-37-21-20-33(41-34)45-30-19-18-29(27-8-6-7-9-28(27)30)39-35(44)40-32-22-31(36(3,4)5)42-43(32)26-16-12-24(2)13-17-26/h6-22H,1-5H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330269
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc1
Show InChI InChI=1S/C36H35N7O2/c1-23-10-14-25(15-11-23)38-34-37-21-20-33(41-34)45-30-19-18-29(27-8-6-7-9-28(27)30)39-35(44)40-32-22-31(36(3,4)5)42-43(32)26-16-12-24(2)13-17-26/h6-22H,1-5H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330270
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-lH-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(C)c3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C36H35N7O2/c1-23-13-15-26(16-14-23)43-32(22-31(42-43)36(3,4)5)40-35(44)39-29-17-18-30(28-12-7-6-11-27(28)29)45-33-19-20-37-34(41-33)38-25-10-8-9-24(2)21-25/h6-22H,1-5H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330281
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(F)cc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32FN7O2/c1-22-9-15-25(16-10-22)43-31(21-30(42-43)35(2,3)4)40-34(44)39-28-17-18-29(27-8-6-5-7-26(27)28)45-32-19-20-37-33(41-32)38-24-13-11-23(36)12-14-24/h5-21H,1-4H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330281
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(F)cc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32FN7O2/c1-22-9-15-25(16-10-22)43-31(21-30(42-43)35(2,3)4)40-34(44)39-28-17-18-29(27-8-6-5-7-26(27)28)45-32-19-20-37-33(41-32)38-24-13-11-23(36)12-14-24/h5-21H,1-4H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330286
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES COc1ccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc1Cl
Show InChI InChI=1S/C36H34ClN7O3/c1-22-10-13-24(14-11-22)44-32(21-31(43-44)36(2,3)4)41-35(45)40-28-15-17-29(26-9-7-6-8-25(26)28)47-33-18-19-38-34(42-33)39-23-12-16-30(46-5)27(37)20-23/h6-21H,1-5H3,(H,38,39,42)(H2,40,41,45)
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Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330288
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)cc3F)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32FN7O3/c1-21-9-11-22(12-10-21)43-31(20-30(42-43)35(2,3)4)40-34(45)39-27-15-16-29(25-8-6-5-7-24(25)27)46-32-17-18-37-33(41-32)38-28-14-13-23(44)19-26(28)36/h5-20,44H,1-4H3,(H,37,38,41)(H2,39,40,45)
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Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330291
PNG
(1-(3-(tert-butyl)-1-(4-methoxyphenyl)-1H- pyrazol-...)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)cc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O4/c1-35(2,3)30-21-31(42(41-30)23-11-15-25(45-4)16-12-23)39-34(44)38-28-17-18-29(27-8-6-5-7-26(27)28)46-32-19-20-36-33(40-32)37-22-9-13-24(43)14-10-22/h5-21,43H,1-4H3,(H,36,37,40)(H2,38,39,44)
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n/an/a 2.38E+3n/an/an/an/an/an/a



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Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330268
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(C)ccc3C)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C37H37N7O2/c1-23-12-15-26(16-13-23)44-33(22-32(43-44)37(4,5)6)41-36(45)40-29-17-18-31(28-10-8-7-9-27(28)29)46-34-19-20-38-35(42-34)39-30-21-24(2)11-14-25(30)3/h7-22H,1-6H3,(H,38,39,42)(H2,40,41,45)
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Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330273
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(F)c3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32FN7O2/c1-22-12-14-25(15-13-22)43-31(21-30(42-43)35(2,3)4)40-34(44)39-28-16-17-29(27-11-6-5-10-26(27)28)45-32-18-19-37-33(41-32)38-24-9-7-8-23(36)20-24/h5-21H,1-4H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330275
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES COc1ccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc1
Show InChI InChI=1S/C36H35N7O3/c1-23-10-14-25(15-11-23)43-32(22-31(42-43)36(2,3)4)40-35(44)39-29-18-19-30(28-9-7-6-8-27(28)29)46-33-20-21-37-34(41-33)38-24-12-16-26(45-5)17-13-24/h6-22H,1-5H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330275
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES COc1ccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc1
Show InChI InChI=1S/C36H35N7O3/c1-23-10-14-25(15-11-23)43-32(22-31(42-43)36(2,3)4)40-35(44)39-29-18-19-30(28-9-7-6-8-27(28)29)46-33-20-21-37-34(41-33)38-24-12-16-26(45-5)17-13-24/h6-22H,1-5H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330278
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES CC(C)c1ccccc1Nc1nccc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)n1
Show InChI InChI=1S/C38H39N7O2/c1-24(2)27-11-9-10-14-30(27)40-36-39-22-21-35(43-36)47-32-20-19-31(28-12-7-8-13-29(28)32)41-37(46)42-34-23-33(38(4,5)6)44-45(34)26-17-15-25(3)16-18-26/h7-24H,1-6H3,(H,39,40,43)(H2,41,42,46)
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US Patent


Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330279
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3C)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C36H35N7O2/c1-23-14-16-25(17-15-23)43-32(22-31(42-43)36(3,4)5)40-35(44)39-29-18-19-30(27-12-8-7-11-26(27)29)45-33-20-21-37-34(41-33)38-28-13-9-6-10-24(28)2/h6-22H,1-5H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330279
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3C)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C36H35N7O2/c1-23-14-16-25(17-15-23)43-32(22-31(42-43)36(3,4)5)40-35(44)39-29-18-19-30(27-12-8-7-11-26(27)29)45-33-20-21-37-34(41-33)38-28-13-9-6-10-24(28)2/h6-22H,1-5H3,(H,37,38,41)(H2,39,40,44)
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US Patent


Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330291
PNG
(1-(3-(tert-butyl)-1-(4-methoxyphenyl)-1H- pyrazol-...)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)cc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O4/c1-35(2,3)30-21-31(42(41-30)23-11-15-25(45-4)16-12-23)39-34(44)38-28-17-18-29(27-8-6-5-7-26(27)28)46-32-19-20-36-33(40-32)37-22-9-13-24(43)14-10-22/h5-21,43H,1-4H3,(H,36,37,40)(H2,38,39,44)
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US Patent


Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM161376
PNG
(US9108950, 1 | US9724347, Example 1)
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 inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM142598
PNG
(US8933228, Ref 2 | US9242960, 1 | US9249125, Refer...)
Show SMILES COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C33H34N6O4/c1-21-10-12-22(13-11-21)39-30(19-28(38-39)33(2,3)4)37-32(41)35-26-14-15-27(25-9-7-6-8-24(25)26)43-23-16-17-34-29(18-23)36-31(40)20-42-5/h6-19H,20H2,1-5H3,(H,34,36,40)(H2,35,37,41)
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n/an/an/a 5n/an/an/an/an/a



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Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM142598
PNG
(US8933228, Ref 2 | US9242960, 1 | US9249125, Refer...)
Show SMILES COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C33H34N6O4/c1-21-10-12-22(13-11-21)39-30(19-28(38-39)33(2,3)4)37-32(41)35-26-14-15-27(25-9-7-6-8-24(25)26)43-23-16-17-34-29(18-23)36-31(40)20-42-5/h6-19H,20H2,1-5H3,(H,34,36,40)(H2,35,37,41)
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US Patent


Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM161376
PNG
(US9108950, 1 | US9724347, Example 1)
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 GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330263
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES COc1ccccc1Nc1nccc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)n1
Show InChI InChI=1S/C36H35N7O3/c1-23-14-16-24(17-15-23)43-32(22-31(42-43)36(2,3)4)40-35(44)39-27-18-19-29(26-11-7-6-10-25(26)27)46-33-20-21-37-34(41-33)38-28-12-8-9-13-30(28)45-5/h6-22H,1-5H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330260
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)cc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O3/c1-22-9-13-24(14-10-22)42-31(21-30(41-42)35(2,3)4)39-34(44)38-28-17-18-29(27-8-6-5-7-26(27)28)45-32-19-20-36-33(40-32)37-23-11-15-25(43)16-12-23/h5-21,43H,1-4H3,(H,36,37,40)(H2,38,39,44)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330268
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(C)ccc3C)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C37H37N7O2/c1-23-12-15-26(16-13-23)44-33(22-32(43-44)37(4,5)6)41-36(45)40-29-17-18-31(28-10-8-7-9-27(28)29)46-34-19-20-38-35(42-34)39-30-21-24(2)11-14-25(30)3/h7-22H,1-6H3,(H,38,39,42)(H2,40,41,45)
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Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330270
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-lH-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(C)c3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C36H35N7O2/c1-23-13-15-26(16-14-23)43-32(22-31(42-43)36(3,4)5)40-35(44)39-29-17-18-30(28-12-7-6-11-27(28)29)45-33-19-20-37-34(41-33)38-25-10-8-9-24(2)21-25/h6-22H,1-5H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330271
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(Cl)c3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32ClN7O2/c1-22-12-14-25(15-13-22)43-31(21-30(42-43)35(2,3)4)40-34(44)39-28-16-17-29(27-11-6-5-10-26(27)28)45-32-18-19-37-33(41-32)38-24-9-7-8-23(36)20-24/h5-21H,1-4H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330272
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES COc1cccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)c1
Show InChI InChI=1S/C36H35N7O3/c1-23-13-15-25(16-14-23)43-32(22-31(42-43)36(2,3)4)40-35(44)39-29-17-18-30(28-12-7-6-11-27(28)29)46-33-19-20-37-34(41-33)38-24-9-8-10-26(21-24)45-5/h6-22H,1-5H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330272
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES COc1cccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)c1
Show InChI InChI=1S/C36H35N7O3/c1-23-13-15-25(16-14-23)43-32(22-31(42-43)36(2,3)4)40-35(44)39-29-17-18-30(28-12-7-6-11-27(28)29)46-33-19-20-37-34(41-33)38-24-9-8-10-26(21-24)45-5/h6-22H,1-5H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330275
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES COc1ccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc1
Show InChI InChI=1S/C36H35N7O3/c1-23-10-14-25(15-11-23)43-32(22-31(42-43)36(2,3)4)40-35(44)39-29-18-19-30(28-9-7-6-8-27(28)29)46-33-20-21-37-34(41-33)38-24-12-16-26(45-5)17-13-24/h6-22H,1-5H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330264
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3Cl)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32ClN7O2/c1-22-13-15-23(16-14-22)43-31(21-30(42-43)35(2,3)4)40-34(44)39-27-17-18-29(25-10-6-5-9-24(25)27)45-32-19-20-37-33(41-32)38-28-12-8-7-11-26(28)36/h5-21H,1-4H3,(H,37,38,41)(H2,39,40,44)
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US Patent


Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330278
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES CC(C)c1ccccc1Nc1nccc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)n1
Show InChI InChI=1S/C38H39N7O2/c1-24(2)27-11-9-10-14-30(27)40-36-39-22-21-35(43-36)47-32-20-19-31(28-12-7-8-13-29(28)32)41-37(46)42-34-23-33(38(4,5)6)44-45(34)26-17-15-25(3)16-18-26/h7-24H,1-6H3,(H,39,40,43)(H2,41,42,46)
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Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330285
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES COc1ccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc1OC
Show InChI InChI=1S/C37H37N7O4/c1-23-11-14-25(15-12-23)44-33(22-32(43-44)37(2,3)4)41-36(45)40-28-16-18-29(27-10-8-7-9-26(27)28)48-34-19-20-38-35(42-34)39-24-13-17-30(46-5)31(21-24)47-6/h7-22H,1-6H3,(H,38,39,42)(H2,40,41,45)
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Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM142598
PNG
(US8933228, Ref 2 | US9242960, 1 | US9249125, Refer...)
Show SMILES COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C33H34N6O4/c1-21-10-12-22(13-11-21)39-30(19-28(38-39)33(2,3)4)37-32(41)35-26-14-15-27(25-9-7-6-8-24(25)26)43-23-16-17-34-29(18-23)36-31(40)20-42-5/h6-19H,20H2,1-5H3,(H,34,36,40)(H2,35,37,41)
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n/an/a 5n/an/an/an/an/an/a



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Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM142598
PNG
(US8933228, Ref 2 | US9242960, 1 | US9249125, Refer...)
Show SMILES COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C33H34N6O4/c1-21-10-12-22(13-11-21)39-30(19-28(38-39)33(2,3)4)37-32(41)35-26-14-15-27(25-9-7-6-8-24(25)26)43-23-16-17-34-29(18-23)36-31(40)20-42-5/h6-19H,20H2,1-5H3,(H,34,36,40)(H2,35,37,41)
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Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330264
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccccc3Cl)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32ClN7O2/c1-22-13-15-23(16-14-22)43-31(21-30(42-43)35(2,3)4)40-34(44)39-27-17-18-29(25-10-6-5-9-24(25)27)45-32-19-20-37-33(41-32)38-28-12-8-7-11-26(28)36/h5-21H,1-4H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330266
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES COc1ccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)c(C)c1
Show InChI InChI=1S/C37H37N7O3/c1-23-11-13-25(14-12-23)44-33(22-32(43-44)37(3,4)5)41-36(45)40-30-17-18-31(28-10-8-7-9-27(28)30)47-34-19-20-38-35(42-34)39-29-16-15-26(46-6)21-24(29)2/h7-22H,1-6H3,(H,38,39,42)(H2,40,41,45)
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Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330260
PNG
(1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)cc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O3/c1-22-9-13-24(14-10-22)42-31(21-30(41-42)35(2,3)4)39-34(44)38-28-17-18-29(27-8-6-5-7-26(27)28)45-32-19-20-36-33(40-32)37-23-11-15-25(43)16-12-23/h5-21,43H,1-4H3,(H,36,37,40)(H2,38,39,44)
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Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330269
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc1
Show InChI InChI=1S/C36H35N7O2/c1-23-10-14-25(15-11-23)38-34-37-21-20-33(41-34)45-30-19-18-29(27-8-6-7-9-28(27)30)39-35(44)40-32-22-31(36(3,4)5)42-43(32)26-16-12-24(2)13-17-26/h6-22H,1-5H3,(H,37,38,41)(H2,39,40,44)
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Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330271
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(Cl)c3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32ClN7O2/c1-22-12-14-25(15-13-22)43-31(21-30(42-43)35(2,3)4)40-34(44)39-28-16-17-29(27-11-6-5-10-26(27)28)45-32-18-19-37-33(41-32)38-24-9-7-8-23(36)20-24/h5-21H,1-4H3,(H,37,38,41)(H2,39,40,44)
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US Patent


Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330272
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES COc1cccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)c1
Show InChI InChI=1S/C36H35N7O3/c1-23-13-15-25(16-14-23)43-32(22-31(42-43)36(2,3)4)40-35(44)39-29-17-18-30(28-12-7-6-11-27(28)29)46-33-19-20-37-34(41-33)38-24-9-8-10-26(21-24)45-5/h6-22H,1-5H3,(H,37,38,41)(H2,39,40,44)
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n/an/a 119n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330274
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(Cl)cc3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32ClN7O2/c1-22-9-15-25(16-10-22)43-31(21-30(42-43)35(2,3)4)40-34(44)39-28-17-18-29(27-8-6-5-7-26(27)28)45-32-19-20-37-33(41-32)38-24-13-11-23(36)12-14-24/h5-21H,1-4H3,(H,37,38,41)(H2,39,40,44)
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n/an/a>1.62E+4n/an/an/an/an/an/a



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US Patent


Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330276
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(Cl)cc3C)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C36H34ClN7O2/c1-22-10-13-25(14-11-22)44-32(21-31(43-44)36(3,4)5)41-35(45)40-29-16-17-30(27-9-7-6-8-26(27)29)46-33-18-19-38-34(42-33)39-28-15-12-24(37)20-23(28)2/h6-21H,1-5H3,(H,38,39,42)(H2,40,41,45)
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n/an/a>1.58E+4n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330282
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)cc3C)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C36H35N7O3/c1-22-10-12-24(13-11-22)43-32(21-31(42-43)36(3,4)5)40-35(45)39-29-16-17-30(27-9-7-6-8-26(27)29)46-33-18-19-37-34(41-33)38-28-15-14-25(44)20-23(28)2/h6-21,44H,1-5H3,(H,37,38,41)(H2,39,40,45)
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n/an/a>1.59E+3n/an/an/an/an/an/a



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US Patent


Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330283
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)ccc1O
Show InChI InChI=1S/C36H35N7O4/c1-22-10-13-24(14-11-22)43-32(21-31(42-43)36(2,3)4)40-35(45)39-27-15-17-29(26-9-7-6-8-25(26)27)47-33-18-19-37-34(41-33)38-23-12-16-28(44)30(20-23)46-5/h6-21,44H,1-5H3,(H,37,38,41)(H2,39,40,45)
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n/an/a 77n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330284
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(C)c(O)c3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C36H35N7O3/c1-22-10-14-25(15-11-22)43-32(21-31(42-43)36(3,4)5)40-35(45)39-28-16-17-30(27-9-7-6-8-26(27)28)46-33-18-19-37-34(41-33)38-24-13-12-23(2)29(44)20-24/h6-21,44H,1-5H3,(H,37,38,41)(H2,39,40,45)
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n/an/a>1.63E+3n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330285
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES COc1ccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc1OC
Show InChI InChI=1S/C37H37N7O4/c1-23-11-14-25(15-12-23)44-33(22-32(43-44)37(2,3)4)41-36(45)40-28-16-18-29(27-10-8-7-9-26(27)28)48-34-19-20-38-35(42-34)39-24-13-17-30(46-5)31(21-24)47-6/h7-22H,1-6H3,(H,38,39,42)(H2,40,41,45)
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n/an/a 535n/an/an/an/an/an/a



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US Patent


Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM330287
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)c(F)c3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32FN7O3/c1-21-9-12-23(13-10-21)43-31(20-30(42-43)35(2,3)4)40-34(45)39-27-14-16-29(25-8-6-5-7-24(25)27)46-32-17-18-37-33(41-32)38-22-11-15-28(44)26(36)19-22/h5-20,44H,1-4H3,(H,37,38,41)(H2,39,40,45)
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n/an/a 423n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM330289
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)cc3Cl)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H32ClN7O3/c1-21-9-11-22(12-10-21)43-31(20-30(42-43)35(2,3)4)40-34(45)39-27-15-16-29(25-8-6-5-7-24(25)27)46-32-17-18-37-33(41-32)38-28-14-13-23(44)19-26(28)36/h5-20,44H,1-4H3,(H,37,38,41)(H2,39,40,45)
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US Patent


Assay Description
The GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM330290
PNG
(1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)- 3-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc(O)cc3O)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H33N7O4/c1-21-9-11-22(12-10-21)42-31(20-30(41-42)35(2,3)4)39-34(45)38-26-15-16-29(25-8-6-5-7-24(25)26)46-32-17-18-36-33(40-32)37-27-14-13-23(43)19-28(27)44/h5-20,43-44H,1-4H3,(H,36,37,40)(H2,38,39,45)
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n/an/a 189n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM161376
PNG
(US9108950, 1 | US9724347, Example 1)
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 inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), were evaluated in a similar fashion to that descr...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM161376
PNG
(US9108950, 1 | US9724347, Example 1)
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 GSK3-α protein (500 ng/mL, 2.5 μL) was mixed with the test compound (2.5 μL at either 4 μg/mL, 0.4 μg/mL, 0.04 μg/m...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM142598
PNG
(US8933228, Ref 2 | US9242960, 1 | US9249125, Refer...)
Show SMILES COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C33H34N6O4/c1-21-10-12-22(13-11-21)39-30(19-28(38-39)33(2,3)4)37-32(41)35-26-14-15-27(25-9-7-6-8-24(25)26)43-23-16-17-34-29(18-23)36-31(40)20-42-5/h6-19H,20H2,1-5H3,(H,34,36,40)(H2,35,37,41)
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US Patent
n/an/an/a 1n/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), were evaluated indirectly by determining the lev...


US Patent US9724347 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%