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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 583.6
BDBM161376
Wt: 578.6
BDBM142598
Wt: 601.6
BDBM330262
Wt: 599.6
BDBM330265
Wt: 611.7
BDBM330268
Wt: 597.7
BDBM330269
Wt: 597.7
BDBM330270
Wt: 613.7
BDBM330272
Wt: 601.6
BDBM330273
Wt: 613.7
BDBM330275
Wt: 597.7
BDBM330279
Wt: 601.6
BDBM330281
Wt: 613.7
BDBM330282
Wt: 613.7
BDBM330284
Wt: 599.6
BDBM330260
Displayed 1 to 15 (of 40 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 92 hits in this display   
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
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 3n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
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



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent


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


US Patent US9701670 (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



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent


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


US Patent US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
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



Respivert, Ltd.

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
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



Respivert, Ltd.

US Patent


Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
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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n/an/a 12n/an/an/an/an/a25



Respivert, Ltd.

US Patent


Assay Description
The enzyme inhibitory activity of compound was determined by FRET using synthetic peptides labelled with both donor and acceptor fluorophores (Z-LY...


US Patent US9242960 (2016)


BindingDB Entry DOI: 10.7270/Q20K27C2
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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n/an/a 12n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent


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


US Patent US9701670 (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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Respivert, Ltd.

US Patent


Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
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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n/an/a 12n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent


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


US Patent US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
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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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/a 22n/an/an/an/an/an/a



Respivert, Ltd.

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
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/a 22n/an/an/an/an/an/a



Respivert, Ltd.

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))
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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n/an/a 33n/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))
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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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
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



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent


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


US Patent US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
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



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent


Assay Description
The inhibitory activities of compounds of the invention against Syk enzymes (Invitrogen), are evaluated in a similar fashion to that described herein...


US Patent US9701670 (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



Respivert, Ltd.

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))
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 45n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent


Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...


US Patent US9701670 (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/a 45n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent


Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level ...


US Patent US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
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/a 45n/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 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 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
(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
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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n/an/a 83n/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))
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
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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n/an/a 155n/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))
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 164n/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))
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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n/an/a 165n/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))
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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n/an/a 169n/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))
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 170n/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))
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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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))
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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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))
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
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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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
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 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))
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 344n/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
p38 delta/gamma


(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 344n/an/an/an/an/a25



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Assay Description
The enzyme inhibitory activity of compound was determined by FRET using synthetic peptides labelled with both donor and acceptor fluorophores (Z-LY...


US Patent US9242960 (2016)


BindingDB Entry DOI: 10.7270/Q20K27C2
More data for this
Ligand-Target Pair
p38 delta/gamma


(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 344n/an/an/an/an/an/a



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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
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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n/an/a 356n/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
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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n/an/a 549n/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
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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n/an/a 557n/an/an/an/an/an/a



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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))
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 695n/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))
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 760n/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
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 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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n/an/a>1.63E+3n/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
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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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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n/an/a>1.66E+3n/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
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
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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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))
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
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
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